1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300
301
302
303
304
305
306
307
308
309
310
311
312
313
314
315
316
317
318
319
320
321
322
323
324
325
326
327
328
329
330
331
332
333
334
335
336
337
338
339
340
341
342
343
344
345
346
347
348
349
350
351
352
353
354
355
356
357
358
359
360
361
362
363
364
365
366
367
368
369
370
371
372
373
374
375
376
377
378
379
380
381
382
383
384
385
386
387
388
389
390
391
392
393
394
395
396
397
398
399
400
401
402
403
404
405
406
407
408
409
410
411
412
413
414
415
416
417
418
419
420
421
422
423
424
425
426
427
428
429
430
431
432
433
434
435
436
437
438
439
440
441
442
443
444
445
446
447
448
449
450
451
452
453
454
455
456
457
458
459
460
461
462
463
464
465
466
467
468
469
470
471
472
473
474
475
476
477
478
479
480
481
482
483
484
485
486
487
488
489
490
491
492
493
494
495
496
497
498
499
500
501
502
503
504
505
506
507
508
509
510
511
512
513
514
515
516
517
518
519
520
521
522
523
524
525
526
527
528
529
530
531
532
533
534
535
536
537
538
539
540
541
542
543
544
545
546
547
548
549
550
551
552
553
554
555
556
557
558
559
560
561
562
563
564
565
566
567
568
569
570
571
572
573
574
575
576
577
578
579
580
581
582
583
584
585
586
587
588
589
590
591
592
593
594
595
596
597
598
599
600
601
602
603
604
605
606
607
608
609
610
611
612
613
614
615
616
617
618
619
620
621
622
623
624
625
626
627
628
629
630
631
632
633
634
635
636
637
638
639
640
641
642
643
644
645
646
647
648
649
650
651
652
653
654
655
656
657
658
659
660
661
662
663
664
665
666
667
668
669
670
671
672
673
674
675
676
677
678
679
680
681
682
683
684
685
686
687
688
689
690
691
692
693
694
695
696
697
698
699
700
701
702
703
704
705
706
707
708
709
710
711
712
713
714
715
716
717
718
719
720
721
722
723
724
725
726
727
728
729
730
731
732
733
734
735
736
737
738
739
740
741
742
743
744
745
746
747
748
749
750
751
752
753
754
755
756
757
758
759
760
761
762
763
764
765
766
767
768
769
770
771
772
773
774
775
776
777
778
779
780
781
782
783
784
785
786
787
788
789
790
791
792
793
794
795
796
797
798
799
800
801
802
803
804
805
806
807
808
809
810
811
812
813
814
815
816
817
818
819
820
821
822
823
824
825
826
827
828
829
830
831
832
833
834
835
836
837
838
839
840
841
842
843
844
845
846
847
848
849
850
851
852
853
854
855
856
857
858
859
860
861
862
863
864
865
866
867
868
869
870
871
872
873
874
875
876
877
878
879
880
881
882
883
884
885
886
887
888
889
890
891
892
893
894
895
896
897
898
899
900
901
902
903
904
905
906
907
908
909
910
911
912
913
914
915
916
917
918
919
920
921
922
923
924
925
926
927
928
929
930
931
932
933
934
935
936
937
938
939
940
941
942
943
944
945
946
947
948
949
950
951
952
953
954
955
956
957
958
959
960
961
962
963
964
965
966
967
968
969
970
971
972
973
974
975
976
977
978
979
980
981
982
983
984
985
986
987
988
989
990
991
992
993
994
995
996
997
998
999
1000
1001
1002
1003
1004
1005
1006
1007
1008
1009
1010
1011
1012
1013
1014
1015
1016
1017
1018
1019
1020
1021
1022
1023
1024
1025
1026
1027
1028
1029
1030
1031
1032
1033
1034
1035
1036
1037
1038
1039
1040
1041
1042
1043
1044
1045
1046
1047
1048
1049
1050
1051
1052
1053
1054
1055
1056
1057
1058
1059
1060
1061
1062
1063
1064
1065
1066
1067
1068
1069
1070
1071
1072
1073
1074
1075
1076
1077
1078
1079
1080
1081
1082
1083
1084
1085
1086
1087
1088
1089
1090
1091
1092
1093
1094
1095
1096
1097
1098
1099
1100
1101
1102
1103
1104
1105
1106
1107
1108
1109
1110
1111
1112
1113
1114
1115
1116
1117
1118
1119
1120
1121
1122
1123
1124
1125
1126
1127
1128
1129
1130
1131
1132
1133
1134
1135
1136
1137
1138
1139
1140
1141
1142
1143
1144
1145
1146
1147
1148
1149
1150
1151
1152
1153
1154
1155
1156
1157
1158
1159
1160
1161
1162
1163
1164
1165
1166
1167
1168
1169
1170
1171
1172
1173
1174
1175
1176
1177
1178
1179
1180
1181
1182
1183
1184
1185
1186
1187
1188
1189
1190
1191
1192
1193
1194
1195
1196
1197
1198
1199
1200
1201
1202
1203
1204
1205
1206
1207
1208
1209
1210
1211
1212
1213
1214
1215
1216
1217
1218
1219
1220
1221
1222
1223
1224
1225
1226
1227
1228
1229
1230
1231
1232
1233
1234
1235
1236
1237
1238
1239
1240
1241
1242
1243
1244
1245
1246
1247
1248
1249
1250
1251
1252
1253
1254
1255
1256
1257
1258
1259
1260
1261
1262
1263
1264
1265
1266
1267
1268
1269
1270
1271
1272
1273
1274
1275
1276
1277
1278
1279
1280
1281
1282
1283
1284
1285
1286
1287
1288
1289
1290
1291
1292
1293
1294
1295
1296
1297
1298
1299
1300
1301
1302
1303
1304
1305
1306
1307
1308
1309
1310
1311
1312
1313
1314
1315
1316
1317
1318
1319
1320
1321
1322
1323
1324
1325
1326
1327
1328
1329
1330
1331
1332
1333
1334
1335
1336
1337
1338
1339
1340
1341
1342
1343
1344
1345
1346
1347
1348
1349
1350
1351
1352
1353
1354
1355
1356
1357
1358
1359
1360
1361
1362
1363
1364
1365
1366
1367
1368
1369
1370
1371
1372
1373
1374
1375
1376
1377
1378
1379
1380
1381
1382
1383
1384
1385
1386
1387
1388
1389
1390
1391
1392
1393
1394
1395
1396
1397
1398
1399
1400
1401
1402
1403
1404
1405
1406
1407
1408
1409
1410
1411
1412
1413
1414
1415
1416
1417
1418
1419
1420
1421
1422
1423
1424
1425
1426
1427
1428
1429
1430
1431
1432
1433
1434
1435
1436
1437
1438
1439
1440
1441
1442
1443
1444
1445
1446
1447
1448
1449
1450
1451
1452
1453
1454
1455
1456
1457
1458
1459
1460
1461
1462
1463
1464
1465
1466
1467
1468
1469
1470
1471
1472
1473
1474
1475
1476
1477
1478
1479
1480
1481
1482
1483
1484
1485
1486
1487
1488
1489
1490
1491
1492
1493
1494
1495
1496
1497
1498
1499
1500
1501
1502
1503
1504
1505
1506
1507
1508
1509
1510
1511
1512
1513
1514
1515
1516
1517
1518
1519
1520
1521
1522
1523
1524
1525
1526
1527
1528
1529
1530
1531
1532
1533
1534
1535
1536
1537
1538
1539
1540
1541
1542
1543
1544
1545
1546
1547
1548
1549
1550
1551
1552
1553
1554
1555
1556
1557
1558
1559
1560
1561
1562
1563
1564
1565
1566
1567
1568
1569
1570
1571
1572
1573
1574
1575
1576
1577
1578
1579
1580
1581
1582
1583
1584
1585
1586
1587
1588
1589
1590
1591
1592
1593
1594
1595
1596
1597
1598
1599
1600
1601
1602
1603
1604
1605
1606
1607
1608
1609
1610
1611
1612
1613
1614
1615
1616
1617
1618
1619
1620
1621
1622
1623
1624
1625
1626
1627
1628
1629
1630
1631
1632
1633
1634
1635
1636
1637
1638
1639
1640
1641
1642
1643
1644
1645
1646
1647
1648
1649
1650
1651
1652
1653
1654
1655
1656
1657
1658
1659
1660
1661
1662
1663
1664
1665
1666
1667
1668
1669
1670
1671
1672
1673
1674
1675
1676
1677
1678
1679
1680
1681
1682
1683
1684
1685
1686
1687
1688
1689
1690
1691
1692
1693
1694
1695
1696
1697
1698
1699
1700
1701
1702
1703
1704
1705
1706
1707
1708
1709
1710
1711
1712
1713
1714
1715
1716
1717
1718
1719
1720
1721
1722
1723
1724
1725
1726
1727
1728
1729
1730
1731
1732
1733
1734
1735
1736
1737
1738
1739
1740
1741
1742
1743
1744
1745
1746
1747
1748
1749
1750
1751
1752
1753
1754
1755
1756
1757
1758
1759
1760
1761
1762
1763
1764
1765
1766
1767
1768
1769
1770
1771
1772
1773
1774
1775
1776
1777
1778
1779
1780
1781
1782
1783
1784
1785
1786
1787
1788
1789
1790
1791
1792
1793
1794
1795
1796
1797
1798
1799
1800
1801
1802
1803
1804
1805
1806
1807
1808
1809
1810
1811
1812
1813
1814
1815
1816
1817
1818
1819
1820
1821
1822
1823
1824
1825
1826
1827
1828
1829
1830
1831
1832
1833
1834
1835
1836
1837
1838
1839
1840
1841
1842
1843
1844
1845
1846
1847
1848
1849
1850
1851
1852
1853
1854
1855
1856
1857
1858
1859
1860
1861
1862
1863
1864
1865
1866
1867
1868
1869
1870
1871
1872
1873
1874
1875
1876
1877
1878
1879
1880
1881
1882
1883
1884
1885
1886
1887
1888
1889
1890
1891
1892
1893
1894
1895
1896
1897
1898
1899
1900
1901
1902
1903
1904
1905
1906
1907
1908
1909
1910
1911
1912
1913
1914
1915
1916
1917
1918
1919
1920
1921
1922
1923
1924
1925
1926
1927
1928
1929
1930
1931
1932
1933
1934
1935
1936
1937
1938
1939
1940
1941
1942
1943
1944
1945
1946
1947
1948
1949
1950
1951
1952
1953
1954
1955
1956
1957
1958
1959
1960
1961
1962
1963
1964
1965
1966
1967
1968
1969
1970
1971
1972
1973
1974
1975
1976
1977
1978
1979
1980
1981
1982
1983
1984
1985
1986
1987
1988
1989
1990
1991
1992
1993
1994
1995
1996
1997
1998
1999
2000
2001
2002
2003
2004
2005
2006
2007
2008
2009
2010
2011
2012
2013
2014
2015
2016
2017
2018
2019
2020
2021
2022
2023
2024
2025
2026
2027
2028
2029
2030
2031
2032
2033
2034
2035
2036
2037
2038
2039
2040
2041
2042
2043
2044
2045
2046
2047
2048
2049
2050
2051
2052
2053
2054
2055
2056
2057
2058
2059
2060
2061
2062
2063
2064
2065
2066
2067
2068
2069
2070
2071
2072
2073
2074
2075
2076
2077
2078
2079
2080
2081
2082
2083
2084
2085
2086
2087
2088
2089
2090
2091
2092
2093
2094
2095
2096
2097
2098
2099
2100
2101
2102
2103
2104
2105
2106
2107
2108
2109
2110
2111
2112
2113
2114
2115
2116
2117
2118
2119
2120
2121
2122
2123
2124
2125
2126
2127
2128
2129
2130
2131
2132
2133
2134
2135
2136
2137
2138
2139
2140
2141
2142
2143
2144
2145
2146
2147
2148
2149
2150
2151
2152
2153
2154
2155
2156
2157
2158
2159
2160
2161
2162
2163
2164
2165
2166
2167
2168
2169
2170
2171
2172
2173
2174
2175
2176
2177
2178
2179
2180
2181
2182
2183
2184
2185
2186
2187
2188
2189
2190
2191
2192
2193
2194
2195
2196
2197
2198
2199
2200
2201
2202
2203
2204
2205
2206
2207
2208
2209
2210
2211
2212
2213
2214
2215
2216
2217
2218
2219
2220
2221
2222
2223
2224
2225
2226
2227
2228
2229
2230
2231
2232
2233
2234
2235
2236
2237
2238
2239
2240
2241
2242
2243
2244
2245
2246
2247
2248
2249
2250
2251
2252
2253
2254
2255
2256
2257
2258
2259
2260
2261
2262
2263
2264
2265
2266
2267
2268
2269
2270
2271
2272
2273
2274
2275
2276
2277
2278
2279
2280
2281
2282
2283
2284
2285
2286
2287
2288
2289
2290
2291
2292
2293
2294
2295
2296
2297
2298
2299
2300
2301
2302
2303
2304
2305
2306
2307
2308
2309
2310
2311
2312
2313
2314
2315
2316
2317
2318
2319
2320
2321
2322
2323
2324
2325
2326
2327
2328
2329
2330
2331
2332
2333
2334
2335
2336
2337
2338
2339
2340
2341
2342
2343
2344
2345
2346
2347
2348
2349
2350
2351
2352
2353
2354
2355
2356
2357
2358
2359
2360
2361
2362
2363
2364
2365
2366
2367
2368
2369
2370
2371
2372
2373
2374
2375
2376
2377
2378
2379
2380
2381
2382
2383
2384
2385
2386
2387
2388
2389
2390
2391
2392
2393
2394
2395
2396
2397
2398
2399
2400
2401
2402
2403
2404
2405
2406
2407
2408
2409
2410
2411
2412
2413
2414
2415
2416
2417
2418
2419
2420
2421
2422
2423
2424
2425
2426
2427
2428
2429
2430
2431
2432
2433
2434
2435
2436
2437
2438
2439
2440
2441
2442
2443
2444
2445
2446
2447
2448
2449
2450
2451
2452
2453
2454
2455
2456
2457
2458
2459
2460
2461
2462
2463
2464
2465
2466
2467
2468
2469
2470
2471
2472
2473
2474
2475
2476
2477
2478
2479
2480
2481
2482
2483
2484
2485
2486
2487
2488
2489
2490
2491
2492
2493
2494
2495
2496
2497
2498
2499
2500
2501
2502
2503
2504
2505
2506
2507
2508
2509
2510
2511
2512
2513
2514
2515
2516
2517
2518
2519
2520
2521
2522
2523
2524
2525
2526
2527
2528
2529
2530
2531
2532
2533
2534
2535
2536
2537
2538
2539
2540
2541
2542
2543
2544
2545
2546
2547
2548
2549
2550
2551
2552
2553
2554
2555
2556
2557
2558
2559
2560
2561
2562
2563
2564
2565
2566
2567
2568
2569
2570
2571
2572
2573
2574
2575
2576
2577
2578
2579
2580
2581
2582
2583
2584
2585
2586
2587
2588
2589
2590
2591
2592
2593
2594
2595
2596
2597
2598
2599
2600
2601
2602
2603
2604
2605
2606
2607
2608
2609
2610
2611
2612
2613
2614
2615
2616
2617
2618
2619
2620
2621
2622
2623
2624
2625
2626
2627
2628
2629
2630
2631
2632
2633
2634
2635
2636
2637
2638
2639
2640
2641
2642
2643
2644
2645
2646
2647
2648
2649
2650
2651
2652
2653
2654
2655
2656
2657
2658
2659
2660
2661
2662
2663
2664
2665
2666
2667
2668
2669
2670
2671
2672
2673
2674
2675
2676
2677
2678
2679
2680
2681
2682
2683
2684
2685
2686
2687
2688
2689
2690
2691
2692
2693
2694
2695
2696
2697
2698
2699
2700
2701
2702
2703
2704
2705
2706
2707
2708
2709
2710
2711
2712
2713
2714
2715
2716
2717
2718
2719
2720
2721
2722
2723
2724
2725
2726
2727
2728
2729
2730
2731
2732
2733
2734
2735
2736
2737
2738
2739
2740
2741
2742
2743
2744
2745
2746
2747
2748
2749
2750
2751
2752
2753
2754
2755
2756
2757
2758
2759
2760
2761
2762
2763
2764
2765
2766
2767
2768
2769
2770
2771
2772
2773
2774
2775
2776
2777
2778
2779
2780
2781
2782
2783
2784
2785
2786
2787
2788
2789
2790
2791
2792
2793
2794
2795
2796
2797
2798
2799
2800
2801
2802
2803
2804
2805
2806
2807
2808
2809
2810
2811
2812
2813
2814
2815
2816
2817
2818
2819
2820
2821
2822
2823
2824
2825
2826
2827
2828
2829
2830
2831
2832
2833
2834
2835
2836
2837
2838
2839
2840
2841
2842
2843
2844
2845
2846
2847
2848
2849
2850
2851
2852
2853
2854
2855
2856
2857
2858
2859
2860
2861
2862
2863
2864
2865
2866
2867
2868
2869
2870
2871
2872
2873
2874
2875
2876
2877
2878
2879
2880
2881
2882
2883
2884
2885
2886
2887
2888
2889
2890
2891
2892
2893
2894
2895
2896
2897
2898
2899
2900
2901
2902
2903
2904
2905
2906
2907
2908
2909
2910
2911
2912
2913
2914
2915
2916
2917
2918
2919
2920
2921
2922
2923
2924
2925
2926
2927
2928
2929
2930
2931
2932
2933
2934
2935
2936
2937
2938
2939
2940
2941
2942
2943
2944
2945
2946
2947
2948
2949
2950
2951
2952
2953
2954
2955
2956
2957
2958
2959
2960
2961
2962
2963
2964
2965
2966
2967
2968
2969
2970
2971
2972
2973
2974
2975
2976
2977
2978
2979
2980
2981
2982
2983
2984
2985
2986
2987
2988
2989
2990
2991
2992
2993
2994
2995
2996
2997
2998
2999
3000
3001
3002
3003
3004
3005
3006
3007
3008
3009
3010
3011
3012
3013
3014
3015
3016
3017
3018
3019
3020
3021
3022
3023
3024
3025
3026
3027
3028
3029
3030
3031
3032
3033
3034
3035
3036
3037
3038
3039
3040
3041
3042
3043
3044
3045
3046
3047
3048
3049
3050
3051
3052
3053
3054
3055
3056
3057
3058
3059
3060
3061
3062
3063
3064
3065
3066
3067
3068
3069
3070
3071
3072
3073
3074
3075
3076
3077
3078
3079
3080
3081
3082
3083
3084
3085
3086
3087
3088
3089
3090
3091
3092
3093
3094
3095
3096
3097
3098
3099
3100
3101
3102
3103
3104
3105
3106
3107
3108
3109
3110
3111
3112
3113
3114
3115
3116
3117
3118
3119
3120
3121
3122
3123
3124
3125
3126
3127
3128
3129
3130
3131
3132
3133
3134
3135
3136
3137
3138
3139
3140
3141
3142
3143
3144
3145
3146
3147
3148
3149
3150
3151
3152
3153
3154
3155
3156
3157
3158
3159
3160
3161
3162
3163
3164
3165
3166
3167
3168
3169
3170
3171
3172
3173
3174
3175
3176
3177
3178
3179
3180
3181
3182
3183
3184
3185
3186
3187
3188
3189
3190
3191
3192
3193
3194
3195
3196
3197
3198
3199
3200
3201
3202
3203
3204
3205
3206
3207
3208
3209
3210
3211
3212
3213
3214
3215
3216
3217
3218
3219
3220
3221
3222
3223
3224
3225
3226
3227
3228
3229
3230
3231
3232
3233
3234
3235
3236
3237
3238
3239
3240
3241
3242
3243
3244
3245
3246
3247
3248
3249
3250
3251
3252
3253
3254
3255
3256
3257
3258
3259
3260
3261
3262
3263
3264
3265
3266
3267
3268
3269
3270
3271
3272
3273
3274
3275
3276
3277
3278
3279
3280
3281
3282
3283
3284
3285
3286
3287
3288
3289
3290
3291
3292
3293
3294
3295
3296
3297
3298
3299
3300
3301
3302
3303
3304
3305
3306
3307
3308
3309
3310
3311
3312
3313
3314
3315
3316
3317
3318
3319
3320
3321
3322
3323
3324
3325
3326
3327
3328
3329
3330
3331
3332
3333
3334
3335
3336
3337
3338
3339
3340
3341
3342
3343
3344
3345
3346
3347
3348
3349
3350
3351
3352
3353
3354
3355
3356
3357
3358
3359
3360
3361
3362
3363
3364
3365
3366
3367
3368
3369
3370
3371
3372
3373
3374
3375
3376
3377
3378
3379
3380
3381
3382
3383
3384
3385
3386
3387
3388
3389
3390
3391
3392
3393
3394
3395
3396
3397
3398
3399
3400
3401
3402
3403
3404
3405
3406
3407
3408
3409
3410
3411
3412
3413
3414
3415
3416
3417
3418
3419
3420
3421
3422
3423
3424
3425
3426
3427
3428
3429
3430
3431
3432
3433
3434
3435
3436
3437
3438
3439
3440
3441
3442
3443
3444
3445
3446
3447
3448
3449
3450
3451
3452
3453
3454
3455
3456
3457
3458
3459
3460
3461
3462
3463
3464
3465
3466
3467
3468
3469
3470
3471
3472
3473
3474
3475
3476
3477
3478
3479
3480
3481
3482
3483
3484
3485
3486
3487
3488
3489
3490
3491
3492
3493
3494
3495
3496
3497
3498
3499
3500
3501
3502
3503
3504
3505
3506
3507
3508
3509
3510
3511
3512
3513
3514
3515
3516
3517
3518
3519
3520
3521
3522
3523
3524
3525
3526
3527
3528
3529
3530
3531
3532
3533
3534
3535
3536
3537
3538
3539
3540
3541
3542
3543
3544
3545
3546
3547
3548
3549
3550
3551
3552
3553
3554
3555
3556
3557
3558
3559
3560
3561
3562
3563
3564
3565
3566
3567
3568
3569
3570
3571
3572
3573
3574
3575
3576
3577
3578
3579
3580
3581
3582
3583
3584
3585
3586
3587
3588
3589
3590
3591
3592
3593
3594
3595
3596
3597
3598
3599
3600
3601
3602
3603
3604
3605
3606
3607
3608
3609
3610
3611
3612
3613
3614
3615
3616
3617
3618
3619
3620
3621
3622
3623
3624
3625
3626
3627
3628
3629
3630
3631
3632
3633
3634
3635
3636
3637
3638
3639
3640
3641
3642
3643
3644
3645
3646
3647
3648
3649
3650
3651
3652
3653
3654
3655
3656
3657
3658
3659
3660
3661
3662
3663
3664
3665
3666
3667
3668
3669
3670
3671
3672
3673
3674
3675
3676
3677
3678
3679
3680
3681
3682
3683
3684
3685
3686
3687
3688
3689
3690
3691
3692
3693
3694
3695
3696
3697
3698
3699
3700
3701
3702
3703
3704
3705
3706
3707
3708
3709
3710
3711
3712
3713
3714
3715
3716
3717
3718
3719
3720
3721
3722
3723
3724
3725
3726
3727
3728
3729
3730
3731
3732
3733
3734
3735
3736
3737
3738
3739
3740
3741
3742
3743
3744
3745
3746
3747
3748
3749
3750
3751
3752
3753
3754
3755
3756
3757
3758
3759
3760
3761
3762
3763
3764
3765
3766
3767
3768
3769
3770
3771
3772
3773
3774
3775
3776
3777
3778
3779
3780
3781
3782
3783
3784
3785
3786
3787
3788
3789
3790
3791
3792
3793
3794
3795
3796
3797
3798
3799
3800
3801
3802
3803
3804
3805
3806
3807
3808
3809
3810
3811
3812
3813
3814
3815
3816
3817
3818
3819
3820
3821
3822
3823
3824
3825
3826
3827
3828
3829
3830
3831
3832
3833
3834
3835
3836
3837
3838
3839
3840
3841
3842
3843
3844
3845
3846
3847
3848
3849
3850
3851
3852
3853
3854
3855
3856
3857
3858
3859
3860
3861
3862
3863
3864
3865
3866
3867
3868
3869
3870
3871
3872
3873
3874
3875
3876
3877
3878
3879
3880
3881
3882
3883
3884
3885
3886
3887
3888
3889
3890
3891
3892
3893
3894
3895
3896
3897
3898
3899
3900
3901
3902
3903
3904
3905
3906
3907
3908
3909
3910
3911
3912
3913
3914
3915
3916
3917
3918
3919
3920
3921
3922
3923
3924
3925
3926
3927
3928
3929
3930
3931
3932
3933
3934
3935
3936
3937
3938
3939
3940
3941
3942
3943
3944
3945
3946
3947
3948
3949
3950
3951
3952
3953
3954
3955
3956
3957
3958
3959
3960
3961
3962
3963
3964
3965
3966
3967
3968
3969
3970
3971
3972
3973
3974
3975
3976
3977
3978
3979
3980
3981
3982
3983
3984
3985
3986
3987
3988
3989
3990
3991
3992
3993
3994
3995
3996
3997
3998
3999
4000
4001
4002
4003
4004
4005
4006
4007
4008
4009
4010
4011
4012
4013
4014
4015
4016
4017
4018
4019
4020
4021
4022
4023
4024
4025
4026
4027
4028
4029
4030
4031
4032
4033
4034
4035
4036
4037
4038
4039
4040
4041
4042
4043
4044
4045
4046
4047
4048
4049
4050
4051
4052
4053
4054
4055
4056
4057
4058
4059
4060
4061
4062
4063
4064
4065
4066
4067
4068
4069
4070
4071
4072
4073
4074
4075
4076
4077
4078
4079
4080
4081
4082
4083
4084
4085
4086
4087
4088
4089
4090
4091
4092
4093
4094
4095
4096
4097
4098
4099
4100
4101
4102
4103
4104
4105
4106
4107
4108
4109
4110
4111
4112
4113
4114
4115
4116
4117
4118
4119
4120
4121
4122
4123
4124
4125
4126
4127
4128
4129
4130
4131
4132
4133
4134
4135
4136
4137
4138
4139
4140
4141
4142
4143
4144
4145
4146
4147
4148
4149
4150
4151
4152
4153
4154
4155
4156
4157
4158
4159
4160
4161
4162
4163
4164
4165
4166
4167
4168
4169
4170
4171
4172
4173
4174
4175
4176
4177
4178
4179
4180
4181
4182
4183
4184
4185
4186
4187
4188
4189
4190
4191
4192
4193
4194
4195
4196
4197
4198
4199
4200
4201
4202
4203
4204
4205
4206
4207
4208
4209
4210
4211
4212
4213
4214
4215
4216
4217
4218
4219
4220
4221
4222
4223
4224
4225
4226
4227
4228
4229
4230
4231
4232
4233
4234
4235
4236
4237
4238
4239
4240
4241
4242
4243
4244
4245
4246
4247
4248
4249
4250
4251
4252
4253
4254
4255
4256
4257
4258
4259
4260
4261
4262
4263
4264
4265
4266
4267
4268
4269
4270
4271
4272
4273
4274
4275
4276
4277
4278
4279
4280
4281
4282
4283
4284
4285
4286
4287
4288
4289
4290
4291
4292
4293
4294
4295
4296
4297
4298
4299
4300
4301
4302
4303
4304
4305
4306
4307
4308
4309
4310
4311
4312
4313
4314
4315
4316
4317
4318
4319
4320
4321
4322
4323
4324
4325
4326
4327
4328
4329
4330
4331
4332
4333
4334
4335
4336
4337
4338
4339
4340
4341
4342
4343
4344
4345
4346
4347
4348
4349
4350
4351
4352
4353
4354
4355
4356
4357
4358
4359
4360
4361
4362
4363
4364
4365
4366
4367
4368
4369
4370
4371
4372
4373
4374
4375
4376
4377
4378
4379
4380
4381
4382
4383
4384
4385
4386
4387
4388
4389
4390
4391
4392
4393
4394
4395
4396
4397
4398
4399
4400
4401
4402
4403
4404
4405
4406
4407
4408
4409
4410
4411
4412
4413
4414
4415
4416
4417
4418
4419
4420
4421
4422
4423
4424
4425
4426
4427
4428
4429
4430
4431
4432
4433
4434
4435
4436
4437
4438
4439
4440
4441
4442
4443
4444
4445
4446
4447
4448
4449
4450
4451
4452
4453
4454
4455
4456
4457
4458
4459
4460
4461
4462
4463
4464
4465
4466
4467
4468
4469
4470
4471
4472
4473
4474
4475
4476
4477
4478
4479
4480
4481
4482
4483
4484
4485
4486
4487
4488
4489
4490
4491
4492
4493
4494
4495
4496
4497
4498
4499
4500
4501
4502
4503
4504
4505
4506
4507
4508
4509
4510
4511
4512
4513
4514
4515
4516
4517
4518
4519
4520
4521
4522
4523
4524
4525
4526
4527
4528
4529
4530
4531
4532
4533
4534
4535
4536
4537
4538
4539
4540
4541
4542
4543
4544
4545
4546
4547
4548
4549
4550
4551
4552
4553
4554
4555
4556
4557
4558
4559
4560
4561
4562
4563
4564
4565
4566
4567
4568
4569
4570
4571
4572
4573
4574
4575
4576
4577
4578
4579
4580
4581
4582
4583
4584
4585
4586
4587
4588
4589
4590
4591
4592
4593
4594
4595
4596
4597
4598
4599
4600
4601
4602
4603
4604
4605
4606
4607
4608
4609
4610
4611
4612
4613
4614
4615
4616
4617
4618
4619
4620
4621
4622
4623
4624
4625
4626
4627
4628
4629
4630
4631
4632
4633
4634
4635
4636
4637
4638
4639
4640
4641
4642
4643
4644
4645
4646
4647
4648
4649
4650
4651
4652
4653
4654
4655
4656
4657
4658
4659
4660
4661
4662
4663
4664
4665
4666
4667
4668
4669
4670
4671
4672
4673
4674
4675
4676
4677
4678
4679
4680
4681
4682
4683
4684
4685
4686
4687
4688
4689
4690
4691
4692
4693
4694
4695
4696
4697
4698
4699
4700
4701
4702
4703
4704
4705
4706
4707
4708
4709
4710
4711
4712
4713
4714
4715
4716
4717
4718
4719
4720
4721
4722
4723
4724
4725
4726
4727
4728
4729
4730
4731
4732
4733
4734
4735
4736
4737
4738
4739
4740
4741
4742
4743
4744
4745
4746
4747
4748
4749
4750
4751
4752
4753
4754
4755
4756
4757
4758
4759
4760
4761
4762
4763
4764
4765
4766
4767
4768
4769
4770
4771
4772
4773
4774
4775
4776
4777
4778
4779
4780
4781
4782
4783
4784
4785
4786
4787
4788
4789
4790
4791
4792
4793
4794
4795
4796
4797
4798
4799
4800
4801
4802
4803
4804
4805
4806
4807
4808
4809
4810
4811
4812
4813
4814
4815
4816
4817
4818
4819
4820
4821
4822
4823
4824
4825
4826
4827
4828
4829
4830
4831
4832
4833
4834
4835
4836
4837
4838
4839
4840
4841
4842
4843
4844
4845
4846
4847
4848
4849
4850
4851
4852
4853
4854
4855
4856
4857
4858
4859
4860
4861
4862
4863
4864
4865
4866
4867
4868
4869
4870
4871
4872
4873
4874
4875
4876
4877
4878
4879
4880
4881
4882
4883
4884
4885
4886
4887
4888
4889
4890
4891
4892
4893
4894
4895
4896
4897
4898
4899
4900
4901
4902
4903
4904
4905
4906
4907
4908
4909
4910
4911
4912
4913
4914
4915
4916
4917
4918
4919
4920
4921
4922
4923
4924
4925
4926
4927
4928
4929
4930
4931
4932
4933
4934
4935
4936
4937
4938
4939
4940
4941
4942
4943
4944
4945
4946
4947
4948
4949
4950
4951
4952
4953
4954
4955
4956
4957
4958
4959
4960
4961
4962
4963
4964
4965
4966
4967
4968
4969
4970
4971
4972
4973
4974
4975
4976
4977
4978
4979
4980
4981
4982
4983
4984
4985
4986
4987
4988
4989
4990
4991
4992
4993
4994
4995
4996
4997
4998
4999
5000
5001
5002
5003
5004
5005
5006
5007
5008
5009
5010
5011
5012
5013
5014
5015
5016
5017
5018
5019
5020
5021
5022
5023
5024
5025
5026
5027
5028
5029
5030
5031
5032
5033
5034
5035
5036
5037
5038
5039
5040
5041
5042
5043
5044
5045
5046
5047
5048
5049
5050
5051
5052
5053
5054
5055
5056
5057
5058
5059
5060
5061
5062
5063
5064
5065
5066
5067
5068
5069
5070
5071
5072
5073
5074
5075
5076
5077
5078
5079
5080
5081
5082
5083
5084
5085
5086
5087
5088
5089
5090
5091
5092
5093
5094
5095
5096
5097
5098
5099
5100
5101
5102
5103
5104
5105
5106
5107
5108
5109
5110
5111
5112
5113
5114
5115
5116
5117
5118
5119
5120
5121
5122
5123
5124
5125
5126
5127
5128
5129
5130
5131
5132
5133
5134
5135
5136
5137
5138
5139
5140
5141
5142
5143
5144
5145
5146
5147
5148
5149
5150
5151
5152
5153
5154
5155
5156
5157
5158
5159
5160
5161
5162
5163
5164
5165
5166
5167
5168
5169
5170
5171
5172
5173
5174
5175
5176
5177
5178
5179
5180
5181
5182
5183
5184
5185
5186
5187
5188
5189
5190
5191
5192
5193
5194
5195
5196
5197
5198
5199
5200
5201
5202
5203
5204
5205
5206
5207
5208
5209
5210
5211
5212
5213
5214
5215
5216
5217
5218
5219
5220
5221
5222
5223
5224
5225
5226
5227
5228
5229
5230
5231
5232
5233
5234
5235
5236
5237
5238
5239
5240
5241
5242
5243
5244
5245
5246
5247
5248
5249
5250
5251
5252
5253
5254
5255
5256
5257
5258
5259
5260
5261
5262
5263
5264
5265
5266
5267
5268
5269
5270
5271
5272
5273
5274
5275
5276
5277
5278
5279
5280
5281
5282
5283
5284
5285
5286
5287
5288
5289
5290
5291
5292
5293
5294
5295
5296
5297
5298
5299
5300
5301
5302
5303
5304
5305
5306
5307
5308
5309
5310
5311
5312
5313
5314
5315
5316
5317
5318
5319
5320
5321
5322
5323
5324
5325
5326
5327
5328
5329
5330
5331
5332
5333
5334
5335
5336
5337
5338
5339
5340
5341
5342
5343
5344
5345
5346
5347
5348
5349
5350
5351
5352
5353
5354
5355
5356
5357
5358
5359
5360
5361
5362
5363
5364
5365
5366
5367
5368
5369
5370
5371
5372
5373
5374
5375
5376
5377
5378
5379
5380
5381
5382
5383
5384
5385
5386
5387
5388
5389
5390
5391
5392
5393
5394
5395
5396
5397
5398
5399
5400
5401
5402
5403
5404
5405
5406
5407
5408
5409
5410
5411
5412
5413
5414
5415
5416
5417
5418
5419
5420
5421
5422
5423
5424
5425
5426
5427
5428
5429
5430
5431
5432
5433
5434
5435
5436
5437
5438
5439
5440
5441
5442
5443
5444
5445
5446
5447
5448
5449
5450
5451
5452
5453
5454
5455
5456
5457
5458
5459
5460
5461
5462
5463
5464
5465
5466
5467
5468
5469
5470
5471
5472
5473
5474
5475
5476
5477
5478
5479
5480
5481
5482
5483
5484
5485
5486
5487
5488
5489
5490
5491
5492
5493
5494
5495
5496
5497
5498
5499
5500
5501
5502
5503
5504
5505
5506
5507
5508
5509
5510
5511
5512
5513
5514
5515
5516
5517
5518
5519
5520
5521
5522
5523
5524
5525
5526
5527
5528
5529
5530
5531
5532
5533
5534
5535
5536
5537
5538
5539
5540
5541
5542
5543
5544
5545
5546
5547
5548
5549
5550
5551
5552
5553
5554
5555
5556
5557
5558
5559
5560
5561
5562
5563
5564
5565
5566
5567
5568
5569
5570
5571
5572
5573
5574
5575
5576
5577
5578
5579
5580
5581
5582
5583
5584
5585
5586
5587
5588
5589
5590
5591
5592
5593
5594
5595
5596
5597
5598
5599
5600
5601
5602
5603
5604
5605
5606
5607
5608
5609
5610
5611
5612
5613
5614
5615
5616
5617
5618
5619
5620
5621
5622
5623
5624
5625
5626
5627
5628
5629
5630
5631
5632
5633
5634
5635
5636
5637
5638
5639
5640
5641
5642
5643
5644
5645
5646
5647
5648
5649
5650
5651
5652
5653
5654
5655
5656
5657
5658
5659
5660
5661
5662
5663
5664
5665
5666
5667
5668
5669
5670
5671
5672
5673
5674
5675
5676
5677
5678
5679
5680
5681
5682
5683
5684
5685
5686
5687
5688
5689
5690
5691
5692
5693
5694
5695
5696
5697
5698
5699
5700
5701
5702
5703
5704
5705
5706
5707
5708
5709
5710
5711
5712
5713
5714
5715
5716
5717
5718
5719
5720
5721
5722
5723
5724
5725
5726
5727
5728
5729
5730
|
Entering Gaussian System, Link 0=g16_main
Initial command:
/software/Gaussian16/g16_sse4/g16/l1.exe "/tmp/Gau-4843.inp" -scrdir="/tmp/"
Entering Link 1 = /software/Gaussian16/g16_sse4/g16/l1.exe PID= 4844.
Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
Gaussian, Inc. All Rights Reserved.
This is part of the Gaussian(R) 16 program. It is based on
the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
University), and the Gaussian 82(TM) system (copyright 1983,
Carnegie Mellon University). Gaussian is a federally registered
trademark of Gaussian, Inc.
This software contains proprietary and confidential information,
including trade secrets, belonging to Gaussian, Inc.
This software is provided under written license and may be
used, copied, transmitted, or stored only in accord with that
written license.
The following legend is applicable only to US Government
contracts under FAR:
RESTRICTED RIGHTS LEGEND
Use, reproduction and disclosure by the US Government is
subject to restrictions as set forth in subparagraphs (a)
and (c) of the Commercial Computer Software - Restricted
Rights clause in FAR 52.227-19.
Gaussian, Inc.
340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
---------------------------------------------------------------
Warning -- This program may not be used in any manner that
competes with the business of Gaussian, Inc. or will provide
assistance to any competitor of Gaussian, Inc. The licensee
of this program is prohibited from giving any competitor of
Gaussian, Inc. access to this program. By using this program,
the user acknowledges that Gaussian, Inc. is engaged in the
business of creating and licensing software in the field of
computational chemistry and represents and warrants to the
licensee that it is not a competitor of Gaussian, Inc. and that
it will not use this program in any manner prohibited above.
---------------------------------------------------------------
Cite this work as:
Gaussian 16, Revision A.03,
M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria,
M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone,
G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich,
J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian,
J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young,
F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone,
T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega,
G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda,
J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai,
T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta,
F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin,
V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand,
K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar,
J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi,
J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas,
J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
******************************************
Gaussian 16: ES64L-G16RevA.03 25-Dec-2016
5-Apr-2018
******************************************
%chk=PhCCCC.chk
%mem=400MB
%nproc=1
Will use up to 1 processors via shared memory.
----------------------------------------------------------------------
#p b3lyp/sto-3g guess=read geom=allcheck pop=full gfinput iop(3/33=1,3
/36=-1)
----------------------------------------------------------------------
1/29=7,38=1,172=1/1;
2/12=2,40=1/2;
3/6=3,11=2,14=-4,24=10,25=1,30=1,33=1,36=-1,74=-5,116=-2/1,2,3;
4/5=1/1;
5/5=2,38=6/2;
6/7=3,28=1/1;
99/5=1,9=1/99;
Leave Link 1 at Thu Apr 5 09:06:02 2018, MaxMem= 52428800 cpu: 0.0 elap: 0.0
(Enter /software/Gaussian16/g16_sse4/g16/l101.exe)
Structure from the checkpoint file: "PhCCCC.chk"
-------------------
Title Card Required
-------------------
Charge = 0 Multiplicity = 1
Redundant internal coordinates found in file. (old form).
C,0,-0.0758620095,0.,0.026976172
C,0,-0.0045249089,0.,1.4463590272
C,0,1.233736384,0.,2.1041846497
C,0,2.4572888655,0.,1.3787460974
C,0,2.3859517648,0.,-0.0406367578
H,0,-0.92877965,0.,2.038369764
H,0,1.2651436192,0.,3.2023768764
H,0,3.3102065059,0.,-0.6326474946
C,0,3.7521118658,0.,2.1312678481
C,0,4.9873358742,0.,1.6008975806
H,0,5.1666218259,0.,0.5196515525
H,0,3.6423310639,0.,3.2262049273
H,0,5.8793519852,0.,2.2381007064
C,0,-1.3706850098,0.,-0.7255455787
H,0,-1.2609042079,0.,-1.820482658
C,0,-2.6059090183,0.,-0.1951753113
H,0,-2.78519497,0.,0.8860707169
H,0,-3.4979251292,0.,-0.832378437
C,0,1.147690472,0.,-0.6984623803
H,0,1.1162832367,0.,-1.796654607
Recover connectivity data from disk.
ITRead= 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
----------------------------
! Current Parameters !
! (Angstroms and Degrees) !
-------------------------- --------------------------
! Name Definition Value !
--------------------------------------------------------------------------------
! R1 R(1,2) 1.4212 !
! R2 R(1,14) 1.4976 !
! R3 R(1,19) 1.4224 !
! R4 R(2,3) 1.4022 !
! R5 R(2,6) 1.0976 !
! R6 R(3,4) 1.4224 !
! R7 R(3,7) 1.0986 !
! R8 R(4,5) 1.4212 !
! R9 R(4,9) 1.4976 !
! R10 R(5,8) 1.0976 !
! R11 R(5,19) 1.4022 !
! R12 R(9,10) 1.3443 !
! R13 R(9,12) 1.1004 !
! R14 R(10,11) 1.096 !
! R15 R(10,13) 1.0962 !
! R16 R(14,15) 1.1004 !
! R17 R(14,16) 1.3443 !
! R18 R(16,17) 1.096 !
! R19 R(16,18) 1.0962 !
! R20 R(19,20) 1.0986 !
! A1 A(2,1,14) 123.0414 !
! A2 A(2,1,19) 117.7863 !
! A3 A(14,1,19) 119.1723 !
! A4 A(1,2,3) 120.8567 !
! A5 A(1,2,6) 119.7635 !
! A6 A(3,2,6) 119.3799 !
! A7 A(2,3,4) 121.357 !
! A8 A(2,3,7) 119.6176 !
! A9 A(4,3,7) 119.0253 !
! A10 A(3,4,5) 117.7863 !
! A11 A(3,4,9) 119.1723 !
! A12 A(5,4,9) 123.0414 !
! A13 A(4,5,8) 119.7635 !
! A14 A(4,5,19) 120.8567 !
! A15 A(8,5,19) 119.3799 !
! A16 A(4,9,10) 126.5985 !
! A17 A(4,9,12) 114.4387 !
! A18 A(10,9,12) 118.9628 !
! A19 A(9,10,11) 122.6521 !
! A20 A(9,10,13) 121.2229 !
! A21 A(11,10,13) 116.125 !
! A22 A(1,14,15) 114.4387 !
! A23 A(1,14,16) 126.5985 !
! A24 A(15,14,16) 118.9628 !
! A25 A(14,16,17) 122.6521 !
! A26 A(14,16,18) 121.2229 !
! A27 A(17,16,18) 116.125 !
! A28 A(1,19,5) 121.357 !
! A29 A(1,19,20) 119.0253 !
! A30 A(5,19,20) 119.6176 !
! D1 D(14,1,2,3) 180.0 !
! D2 D(14,1,2,6) 0.0 !
! D3 D(19,1,2,3) 0.0 !
! D4 D(19,1,2,6) 180.0 !
! D5 D(2,1,14,15) 180.0 !
! D6 D(2,1,14,16) 0.0 !
! D7 D(19,1,14,15) 0.0 !
! D8 D(19,1,14,16) 180.0 !
! D9 D(2,1,19,5) 0.0 !
! D10 D(2,1,19,20) 180.0 !
! D11 D(14,1,19,5) 180.0 !
! D12 D(14,1,19,20) 0.0 !
! D13 D(1,2,3,4) 0.0 !
! D14 D(1,2,3,7) 180.0 !
! D15 D(6,2,3,4) 180.0 !
! D16 D(6,2,3,7) 0.0 !
! D17 D(2,3,4,5) 0.0 !
! D18 D(2,3,4,9) 180.0 !
! D19 D(7,3,4,5) 180.0 !
! D20 D(7,3,4,9) 0.0 !
! D21 D(3,4,5,8) 180.0 !
! D22 D(3,4,5,19) 0.0 !
! D23 D(9,4,5,8) 0.0 !
! D24 D(9,4,5,19) 180.0 !
! D25 D(3,4,9,10) 180.0 !
! D26 D(3,4,9,12) 0.0 !
! D27 D(5,4,9,10) 0.0 !
! D28 D(5,4,9,12) 180.0 !
! D29 D(4,5,19,1) 0.0 !
! D30 D(4,5,19,20) 180.0 !
! D31 D(8,5,19,1) 180.0 !
! D32 D(8,5,19,20) 0.0 !
! D33 D(4,9,10,11) 0.0 !
! D34 D(4,9,10,13) 180.0 !
! D35 D(12,9,10,11) 180.0 !
! D36 D(12,9,10,13) 0.0 !
! D37 D(1,14,16,17) 0.0 !
! D38 D(1,14,16,18) 180.0 !
! D39 D(15,14,16,17) 180.0 !
! D40 D(15,14,16,18) 0.0 !
--------------------------------------------------------------------------------
NAtoms= 20 NQM= 20 NQMF= 0 NMMI= 0 NMMIF= 0
NMic= 0 NMicF= 0.
Isotopes and Nuclear Properties:
(Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
in nuclear magnetons)
Atom 1 2 3 4 5 6 7 8 9 10
IAtWgt= 12 12 12 12 12 1 1 1 12 12
AtmWgt= 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000
NucSpn= 0 0 0 0 0 1 1 1 0 0
AtZEff= 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 3.6000000
NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
NMagM= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 2.7928460 2.7928460 2.7928460 0.0000000 0.0000000
AtZNuc= 6.0000000 6.0000000 6.0000000 6.0000000 6.0000000 1.0000000 1.0000000 1.0000000 6.0000000 6.0000000
Atom 11 12 13 14 15 16 17 18 19 20
IAtWgt= 1 1 1 12 1 12 1 1 12 1
AtmWgt= 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250
NucSpn= 1 1 1 0 1 0 1 1 0 1
AtZEff= 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 1.0000000 3.6000000 1.0000000
NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
NMagM= 2.7928460 2.7928460 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460
AtZNuc= 1.0000000 1.0000000 1.0000000 6.0000000 1.0000000 6.0000000 1.0000000 1.0000000 6.0000000 1.0000000
Leave Link 101 at Thu Apr 5 09:06:02 2018, MaxMem= 52428800 cpu: 0.1 elap: 0.1
(Enter /software/Gaussian16/g16_sse4/g16/l202.exe)
Input orientation:
---------------------------------------------------------------------
Center Atomic Atomic Coordinates (Angstroms)
Number Number Type X Y Z
---------------------------------------------------------------------
1 6 0 -0.075862 -0.000000 0.026976
2 6 0 -0.004525 -0.000000 1.446359
3 6 0 1.233736 -0.000000 2.104185
4 6 0 2.457289 0.000000 1.378746
5 6 0 2.385952 0.000000 -0.040637
6 1 0 -0.928780 -0.000000 2.038370
7 1 0 1.265144 -0.000000 3.202377
8 1 0 3.310207 0.000000 -0.632647
9 6 0 3.752112 0.000000 2.131268
10 6 0 4.987336 0.000000 1.600898
11 1 0 5.166622 0.000000 0.519652
12 1 0 3.642331 0.000000 3.226205
13 1 0 5.879352 0.000000 2.238101
14 6 0 -1.370685 -0.000000 -0.725546
15 1 0 -1.260904 -0.000000 -1.820483
16 6 0 -2.605909 -0.000000 -0.195175
17 1 0 -2.785195 -0.000000 0.886071
18 1 0 -3.497925 -0.000000 -0.832378
19 6 0 1.147690 0.000000 -0.698462
20 1 0 1.116283 0.000000 -1.796655
---------------------------------------------------------------------
Distance matrix (angstroms):
1 2 3 4 5
1 C 0.000000
2 C 1.421174 0.000000
3 C 2.455574 1.402150 0.000000
4 C 2.871260 2.462742 1.422442 0.000000
5 C 2.462742 2.815233 2.434720 1.421174 0.000000
6 H 2.184759 1.097599 2.163517 3.449719 3.912763
7 H 3.446950 2.166946 1.098641 2.178724 3.431231
8 H 3.449719 3.912763 3.435401 2.184759 1.097599
9 C 4.368229 3.818563 2.518521 1.497617 2.565845
10 C 5.302188 4.994252 3.787190 2.539781 3.076009
11 H 5.265583 5.253527 4.240086 2.842275 2.836556
12 H 4.905102 4.058006 2.657115 2.194864 3.500106
13 H 6.352452 5.936907 4.647545 3.528315 4.170910
14 C 1.497617 2.565845 3.845827 4.368229 3.818563
15 H 2.194864 3.500106 4.650403 4.905102 4.058006
16 C 2.539781 3.076009 4.475481 5.302188 4.994252
17 H 2.842275 2.836556 4.199477 5.265583 5.253527
18 H 3.528315 4.170910 5.568844 6.352452 5.936907
19 C 1.422442 2.434720 2.803968 2.455574 1.402150
20 H 2.178724 3.431231 3.902607 3.446950 2.166946
6 7 8 9 10
6 H 0.000000
7 H 2.483589 0.000000
8 H 5.010323 4.346228 0.000000
9 C 4.681813 2.707819 2.799019 0.000000
10 C 5.932268 4.052092 2.793114 1.344273 0.000000
11 H 6.281753 4.734823 2.184965 2.144329 1.096009
12 H 4.722923 2.377307 3.873119 1.100427 2.109659
13 H 6.811061 4.713889 3.852493 2.129921 1.096230
14 C 2.799019 4.730345 4.681813 5.865529 6.770286
15 H 3.873119 5.622280 4.722923 6.383311 7.123647
16 C 2.793114 5.150574 5.932268 6.770286 7.802772
17 H 2.184965 4.665889 6.281753 6.654840 7.805332
18 H 3.852493 6.242281 6.811061 7.832384 8.827258
19 C 3.435401 3.902607 2.163517 3.845827 4.475481
20 H 4.346228 5.001247 2.483589 4.730345 5.150574
11 12 13 14 15
11 H 0.000000
12 H 3.106267 0.000000
13 H 1.860390 2.445529 0.000000
14 C 6.654840 6.383311 7.832384 0.000000
15 H 6.840272 7.036389 8.213121 1.100427 0.000000
16 C 7.805332 7.123647 8.827258 1.344273 2.109659
17 H 7.960255 6.840272 8.769399 2.144329 3.106267
18 H 8.769399 8.213121 9.867176 2.129921 2.445529
19 C 4.199477 4.650403 5.568844 2.518521 2.657115
20 H 4.665889 5.622280 6.242281 2.707819 2.377307
16 17 18 19 20
16 C 0.000000
17 H 1.096009 0.000000
18 H 1.096230 1.860390 0.000000
19 C 3.787190 4.240086 4.647545 0.000000
20 H 4.052092 4.734823 4.713889 1.098641 0.000000
Stoichiometry C10H10
Framework group C2H[SGH(C10H10)]
Deg. of freedom 19
Full point group C2H NOp 4
RotChk: IX=1 Diff= 9.17D-16
Largest Abelian subgroup C2H NOp 4
Largest concise Abelian subgroup C2 NOp 2
Standard orientation:
---------------------------------------------------------------------
Center Atomic Atomic Coordinates (Angstroms)
Number Number Type X Y Z
---------------------------------------------------------------------
1 6 0 0.269445 1.410118 0.000000
2 6 0 -1.064785 0.920662 -0.000000
3 6 0 -1.325389 -0.457058 -0.000000
4 6 0 -0.269445 -1.410118 0.000000
5 6 0 1.064785 -0.920662 0.000000
6 1 0 -1.904470 1.627522 -0.000000
7 1 0 -2.364759 -0.813041 -0.000000
8 1 0 1.904470 -1.627522 0.000000
9 6 0 -0.603688 -2.869960 -0.000000
10 6 0 0.269445 -3.892070 -0.000000
11 1 0 1.355175 -3.742314 -0.000000
12 1 0 -1.681859 -3.090152 -0.000000
13 1 0 -0.074247 -4.933029 -0.000000
14 6 0 0.603688 2.869960 -0.000000
15 1 0 1.681859 3.090152 -0.000000
16 6 0 -0.269445 3.892070 -0.000000
17 1 0 -1.355175 3.742314 -0.000000
18 1 0 0.074247 4.933029 -0.000000
19 6 0 1.325389 0.457058 -0.000000
20 1 0 2.364759 0.813041 -0.000000
---------------------------------------------------------------------
Rotational constants (GHZ): 4.6266363 0.6849065 0.5965900
Leave Link 202 at Thu Apr 5 09:06:02 2018, MaxMem= 52428800 cpu: 0.0 elap: 0.0
(Enter /software/Gaussian16/g16_sse4/g16/l301.exe)
Standard basis: STO-3G (5D, 7F)
Coordinates in L301:
---------------------------------------------------------------------
Center Atomic Atomic Coordinates (Angstroms)
Number Number Type X Y Z
---------------------------------------------------------------------
1 6 0 0.269445 1.410118 0.000000
2 6 0 -1.064785 0.920662 -0.000000
3 6 0 -1.325389 -0.457058 -0.000000
4 6 0 -0.269445 -1.410118 0.000000
5 6 0 1.064785 -0.920662 -0.000000
6 1 0 -1.904470 1.627522 0.000000
7 1 0 -2.364759 -0.813041 -0.000000
8 1 0 1.904470 -1.627522 -0.000000
9 6 0 -0.603688 -2.869960 -0.000000
10 6 0 0.269445 -3.892070 -0.000000
11 1 0 1.355175 -3.742314 -0.000000
12 1 0 -1.681859 -3.090152 -0.000000
13 1 0 -0.074247 -4.933029 -0.000000
14 6 0 0.603688 2.869960 -0.000000
15 1 0 1.681859 3.090152 -0.000000
16 6 0 -0.269445 3.892070 -0.000000
17 1 0 -1.355175 3.742314 0.000000
18 1 0 0.074247 4.933029 -0.000000
19 6 0 1.325389 0.457058 -0.000000
20 1 0 2.364759 0.813041 -0.000000
---------------------------------------------------------------------
FixB: optimizing general contractions.
Ernie: Thresh= 0.10000D-02 Tol= 0.10000D-05 Strict=F.
IA= 1 ShT= 0 ShC= 0 NL= 1 NS= 0.
IA= 1 L=0 SC=0 ISt= 0 NBk= 0 NP= 0 IndPr= 0.
IA= 1 ShT= 1 ShC= 0 NL= 1 NS= 0.
IA= 1 L=1 SC=0 ISt= 0 NBk= 0 NP= 0 IndPr= 0.
IA= 2 ShT= 0 ShC= 0 NL= 1 NS= 0.
IA= 2 L=0 SC=0 ISt= 0 NBk= 0 NP= 0 IndPr= 0.
IA= 2 ShT= 1 ShC= 0 NL= 1 NS= 0.
IA= 2 L=1 SC=0 ISt= 0 NBk= 0 NP= 0 IndPr= 0.
IA= 3 ShT= 0 ShC= 0 NL= 1 NS= 0.
IA= 3 L=0 SC=0 ISt= 0 NBk= 0 NP= 0 IndPr= 0.
IA= 3 ShT= 1 ShC= 0 NL= 1 NS= 0.
IA= 3 L=1 SC=0 ISt= 0 NBk= 0 NP= 0 IndPr= 0.
IA= 4 ShT= 0 ShC= 0 NL= 1 NS= 0.
IA= 4 L=0 SC=0 ISt= 0 NBk= 0 NP= 0 IndPr= 0.
IA= 4 ShT= 1 ShC= 0 NL= 1 NS= 0.
IA= 4 L=1 SC=0 ISt= 0 NBk= 0 NP= 0 IndPr= 0.
IA= 5 ShT= 0 ShC= 0 NL= 1 NS= 0.
IA= 5 L=0 SC=0 ISt= 0 NBk= 0 NP= 0 IndPr= 0.
IA= 5 ShT= 1 ShC= 0 NL= 1 NS= 0.
IA= 5 L=1 SC=0 ISt= 0 NBk= 0 NP= 0 IndPr= 0.
IA= 6 ShT= 0 ShC= 0 NL= 1 NS= 0.
IA= 6 L=0 SC=0 ISt= 0 NBk= 0 NP= 0 IndPr= 0.
IA= 7 ShT= 0 ShC= 0 NL= 1 NS= 0.
IA= 7 L=0 SC=0 ISt= 0 NBk= 0 NP= 0 IndPr= 0.
IA= 8 ShT= 0 ShC= 0 NL= 1 NS= 0.
IA= 8 L=0 SC=0 ISt= 0 NBk= 0 NP= 0 IndPr= 0.
IA= 9 ShT= 0 ShC= 0 NL= 1 NS= 0.
IA= 9 L=0 SC=0 ISt= 0 NBk= 0 NP= 0 IndPr= 0.
IA= 9 ShT= 1 ShC= 0 NL= 1 NS= 0.
IA= 9 L=1 SC=0 ISt= 0 NBk= 0 NP= 0 IndPr= 0.
IA= 10 ShT= 0 ShC= 0 NL= 1 NS= 0.
IA= 10 L=0 SC=0 ISt= 0 NBk= 0 NP= 0 IndPr= 0.
IA= 10 ShT= 1 ShC= 0 NL= 1 NS= 0.
IA= 10 L=1 SC=0 ISt= 0 NBk= 0 NP= 0 IndPr= 0.
IA= 11 ShT= 0 ShC= 0 NL= 1 NS= 0.
IA= 11 L=0 SC=0 ISt= 0 NBk= 0 NP= 0 IndPr= 0.
IA= 12 ShT= 0 ShC= 0 NL= 1 NS= 0.
IA= 12 L=0 SC=0 ISt= 0 NBk= 0 NP= 0 IndPr= 0.
IA= 13 ShT= 0 ShC= 0 NL= 1 NS= 0.
IA= 13 L=0 SC=0 ISt= 0 NBk= 0 NP= 0 IndPr= 0.
IA= 14 ShT= 0 ShC= 0 NL= 1 NS= 0.
IA= 14 L=0 SC=0 ISt= 0 NBk= 0 NP= 0 IndPr= 0.
IA= 14 ShT= 1 ShC= 0 NL= 1 NS= 0.
IA= 14 L=1 SC=0 ISt= 0 NBk= 0 NP= 0 IndPr= 0.
IA= 15 ShT= 0 ShC= 0 NL= 1 NS= 0.
IA= 15 L=0 SC=0 ISt= 0 NBk= 0 NP= 0 IndPr= 0.
IA= 16 ShT= 0 ShC= 0 NL= 1 NS= 0.
IA= 16 L=0 SC=0 ISt= 0 NBk= 0 NP= 0 IndPr= 0.
IA= 16 ShT= 1 ShC= 0 NL= 1 NS= 0.
IA= 16 L=1 SC=0 ISt= 0 NBk= 0 NP= 0 IndPr= 0.
IA= 17 ShT= 0 ShC= 0 NL= 1 NS= 0.
IA= 17 L=0 SC=0 ISt= 0 NBk= 0 NP= 0 IndPr= 0.
IA= 18 ShT= 0 ShC= 0 NL= 1 NS= 0.
IA= 18 L=0 SC=0 ISt= 0 NBk= 0 NP= 0 IndPr= 0.
IA= 19 ShT= 0 ShC= 0 NL= 1 NS= 0.
IA= 19 L=0 SC=0 ISt= 0 NBk= 0 NP= 0 IndPr= 0.
IA= 19 ShT= 1 ShC= 0 NL= 1 NS= 0.
IA= 19 L=1 SC=0 ISt= 0 NBk= 0 NP= 0 IndPr= 0.
IA= 20 ShT= 0 ShC= 0 NL= 1 NS= 0.
IA= 20 L=0 SC=0 ISt= 0 NBk= 0 NP= 0 IndPr= 0.
AO basis set in the form of general basis input (Overlap normalization):
1 0
S 3 1.00 0.000000000000
0.7161683735D+02 0.1543289673D+00
0.1304509632D+02 0.5353281423D+00
0.3530512160D+01 0.4446345422D+00
SP 3 1.00 0.000000000000
0.2941249355D+01 -0.9996722919D-01 0.1559162750D+00
0.6834830964D+00 0.3995128261D+00 0.6076837186D+00
0.2222899159D+00 0.7001154689D+00 0.3919573931D+00
****
2 0
S 3 1.00 0.000000000000
0.7161683735D+02 0.1543289673D+00
0.1304509632D+02 0.5353281423D+00
0.3530512160D+01 0.4446345422D+00
SP 3 1.00 0.000000000000
0.2941249355D+01 -0.9996722919D-01 0.1559162750D+00
0.6834830964D+00 0.3995128261D+00 0.6076837186D+00
0.2222899159D+00 0.7001154689D+00 0.3919573931D+00
****
3 0
S 3 1.00 0.000000000000
0.7161683735D+02 0.1543289673D+00
0.1304509632D+02 0.5353281423D+00
0.3530512160D+01 0.4446345422D+00
SP 3 1.00 0.000000000000
0.2941249355D+01 -0.9996722919D-01 0.1559162750D+00
0.6834830964D+00 0.3995128261D+00 0.6076837186D+00
0.2222899159D+00 0.7001154689D+00 0.3919573931D+00
****
4 0
S 3 1.00 0.000000000000
0.7161683735D+02 0.1543289673D+00
0.1304509632D+02 0.5353281423D+00
0.3530512160D+01 0.4446345422D+00
SP 3 1.00 0.000000000000
0.2941249355D+01 -0.9996722919D-01 0.1559162750D+00
0.6834830964D+00 0.3995128261D+00 0.6076837186D+00
0.2222899159D+00 0.7001154689D+00 0.3919573931D+00
****
5 0
S 3 1.00 0.000000000000
0.7161683735D+02 0.1543289673D+00
0.1304509632D+02 0.5353281423D+00
0.3530512160D+01 0.4446345422D+00
SP 3 1.00 0.000000000000
0.2941249355D+01 -0.9996722919D-01 0.1559162750D+00
0.6834830964D+00 0.3995128261D+00 0.6076837186D+00
0.2222899159D+00 0.7001154689D+00 0.3919573931D+00
****
6 0
S 3 1.00 0.000000000000
0.3425250914D+01 0.1543289673D+00
0.6239137298D+00 0.5353281423D+00
0.1688554040D+00 0.4446345422D+00
****
7 0
S 3 1.00 0.000000000000
0.3425250914D+01 0.1543289673D+00
0.6239137298D+00 0.5353281423D+00
0.1688554040D+00 0.4446345422D+00
****
8 0
S 3 1.00 0.000000000000
0.3425250914D+01 0.1543289673D+00
0.6239137298D+00 0.5353281423D+00
0.1688554040D+00 0.4446345422D+00
****
9 0
S 3 1.00 0.000000000000
0.7161683735D+02 0.1543289673D+00
0.1304509632D+02 0.5353281423D+00
0.3530512160D+01 0.4446345422D+00
SP 3 1.00 0.000000000000
0.2941249355D+01 -0.9996722919D-01 0.1559162750D+00
0.6834830964D+00 0.3995128261D+00 0.6076837186D+00
0.2222899159D+00 0.7001154689D+00 0.3919573931D+00
****
10 0
S 3 1.00 0.000000000000
0.7161683735D+02 0.1543289673D+00
0.1304509632D+02 0.5353281423D+00
0.3530512160D+01 0.4446345422D+00
SP 3 1.00 0.000000000000
0.2941249355D+01 -0.9996722919D-01 0.1559162750D+00
0.6834830964D+00 0.3995128261D+00 0.6076837186D+00
0.2222899159D+00 0.7001154689D+00 0.3919573931D+00
****
11 0
S 3 1.00 0.000000000000
0.3425250914D+01 0.1543289673D+00
0.6239137298D+00 0.5353281423D+00
0.1688554040D+00 0.4446345422D+00
****
12 0
S 3 1.00 0.000000000000
0.3425250914D+01 0.1543289673D+00
0.6239137298D+00 0.5353281423D+00
0.1688554040D+00 0.4446345422D+00
****
13 0
S 3 1.00 0.000000000000
0.3425250914D+01 0.1543289673D+00
0.6239137298D+00 0.5353281423D+00
0.1688554040D+00 0.4446345422D+00
****
14 0
S 3 1.00 0.000000000000
0.7161683735D+02 0.1543289673D+00
0.1304509632D+02 0.5353281423D+00
0.3530512160D+01 0.4446345422D+00
SP 3 1.00 0.000000000000
0.2941249355D+01 -0.9996722919D-01 0.1559162750D+00
0.6834830964D+00 0.3995128261D+00 0.6076837186D+00
0.2222899159D+00 0.7001154689D+00 0.3919573931D+00
****
15 0
S 3 1.00 0.000000000000
0.3425250914D+01 0.1543289673D+00
0.6239137298D+00 0.5353281423D+00
0.1688554040D+00 0.4446345422D+00
****
16 0
S 3 1.00 0.000000000000
0.7161683735D+02 0.1543289673D+00
0.1304509632D+02 0.5353281423D+00
0.3530512160D+01 0.4446345422D+00
SP 3 1.00 0.000000000000
0.2941249355D+01 -0.9996722919D-01 0.1559162750D+00
0.6834830964D+00 0.3995128261D+00 0.6076837186D+00
0.2222899159D+00 0.7001154689D+00 0.3919573931D+00
****
17 0
S 3 1.00 0.000000000000
0.3425250914D+01 0.1543289673D+00
0.6239137298D+00 0.5353281423D+00
0.1688554040D+00 0.4446345422D+00
****
18 0
S 3 1.00 0.000000000000
0.3425250914D+01 0.1543289673D+00
0.6239137298D+00 0.5353281423D+00
0.1688554040D+00 0.4446345422D+00
****
19 0
S 3 1.00 0.000000000000
0.7161683735D+02 0.1543289673D+00
0.1304509632D+02 0.5353281423D+00
0.3530512160D+01 0.4446345422D+00
SP 3 1.00 0.000000000000
0.2941249355D+01 -0.9996722919D-01 0.1559162750D+00
0.6834830964D+00 0.3995128261D+00 0.6076837186D+00
0.2222899159D+00 0.7001154689D+00 0.3919573931D+00
****
20 0
S 3 1.00 0.000000000000
0.3425250914D+01 0.1543289673D+00
0.6239137298D+00 0.5353281423D+00
0.1688554040D+00 0.4446345422D+00
****
LdAtmC: AtmChg= 6.000000 6.000000 6.000000 6.000000 6.000000
LdAtmC: AtmChg= 1.000000 1.000000 1.000000 6.000000 6.000000
LdAtmC: AtmChg= 1.000000 1.000000 1.000000 6.000000 1.000000
LdAtmC: AtmChg= 6.000000 1.000000 1.000000 6.000000 1.000000
AtZEff= -3.6000000 -3.6000000 -3.6000000 -3.6000000 -3.6000000
AtZEff= -1.0000000 -1.0000000 -1.0000000 -3.6000000 -3.6000000
AtZEff= -1.0000000 -1.0000000 -1.0000000 -3.6000000 -1.0000000
AtZEff= -3.6000000 -1.0000000 -1.0000000 -3.6000000 -1.0000000
NEqShl:
1 2 3 4
1 1 7 1 7
2 2 8 2 8
3 3 9 3 9
4 4 10 4 10
5 5 28 5 28
6 6 29 6 29
7 7 1 7 1
8 8 2 8 2
9 9 3 9 3
10 10 4 10 4
11 11 13 11 13
12 12 30 12 30
13 13 11 13 11
14 14 21 14 21
15 15 22 15 22
16 16 24 16 24
17 17 25 17 25
18 18 26 18 26
19 19 23 19 23
20 20 27 20 27
21 21 14 21 14
22 22 15 22 15
23 23 19 23 19
24 24 16 24 16
25 25 17 25 17
26 26 18 26 18
27 27 20 27 20
28 28 5 28 5
29 29 6 29 6
30 30 12 30 12
NEqBas:
1 2 3 4
1 1 16 1 16
2 2 17 2 17
3 3 -18 3 -18
4 4 -19 4 -19
5 5 20 -5 -20
6 6 21 6 21
7 7 22 7 22
8 8 -23 8 -23
9 9 -24 9 -24
10 10 25 -10 -25
11 11 55 11 55
12 12 56 12 56
13 13 -57 13 -57
14 14 -58 14 -58
15 15 59 -15 -59
16 16 1 16 1
17 17 2 17 2
18 18 -3 18 -3
19 19 -4 19 -4
20 20 5 -20 -5
21 21 6 21 6
22 22 7 22 7
23 23 -8 23 -8
24 24 -9 24 -9
25 25 10 -25 -10
26 26 28 26 28
27 27 60 27 60
28 28 26 28 26
29 29 42 29 42
30 30 43 30 43
31 31 -44 31 -44
32 32 -45 32 -45
33 33 46 -33 -46
34 34 48 34 48
35 35 49 35 49
36 36 -50 36 -50
37 37 -51 37 -51
38 38 52 -38 -52
39 39 53 39 53
40 40 47 40 47
41 41 54 41 54
42 42 29 42 29
43 43 30 43 30
44 44 -31 44 -31
45 45 -32 45 -32
46 46 33 -46 -33
47 47 40 47 40
48 48 34 48 34
49 49 35 49 35
50 50 -36 50 -36
51 51 -37 51 -37
52 52 38 -52 -38
53 53 39 53 39
54 54 41 54 41
55 55 11 55 11
56 56 12 56 12
57 57 -13 57 -13
58 58 -14 58 -14
59 59 15 -59 -15
60 60 27 60 27
There are 25 symmetry adapted cartesian basis functions of AG symmetry.
1 1 16 16 1
2 2 17 17 2
3 3 -18 -18 3
4 4 -19 -19 4
5 6 21 21 6
6 7 22 22 7
7 8 -23 -23 8
8 9 -24 -24 9
9 11 55 55 11
10 12 56 56 12
11 13 -57 -57 13
12 14 -58 -58 14
13 26 28 28 26
14 27 60 60 27
15 29 42 42 29
16 30 43 43 30
17 31 -44 -44 31
18 32 -45 -45 32
19 34 48 48 34
20 35 49 49 35
21 36 -50 -50 36
22 37 -51 -51 37
23 39 53 53 39
24 40 47 47 40
25 41 54 54 41
There are 5 symmetry adapted cartesian basis functions of BG symmetry.
26 5 -20 -20 5
27 10 -25 -25 10
28 15 -59 -59 15
29 33 -46 -46 33
30 38 -52 -52 38
There are 5 symmetry adapted cartesian basis functions of AU symmetry.
31 5 20 20 5
32 10 25 25 10
33 15 59 59 15
34 33 46 46 33
35 38 52 52 38
There are 25 symmetry adapted cartesian basis functions of BU symmetry.
36 1 -16 -16 1
37 2 -17 -17 2
38 3 18 18 3
39 4 19 19 4
40 6 -21 -21 6
41 7 -22 -22 7
42 8 23 23 8
43 9 24 24 9
44 11 -55 -55 11
45 12 -56 -56 12
46 13 57 57 13
47 14 58 58 14
48 26 -28 -28 26
49 27 -60 -60 27
50 29 -42 -42 29
51 30 -43 -43 30
52 31 44 44 31
53 32 45 45 32
54 34 -48 -48 34
55 35 -49 -49 35
56 36 50 50 36
57 37 51 51 37
58 39 -53 -53 39
59 40 -47 -47 40
60 41 -54 -54 41
Order= 1 4 2 3
Reordered character table:
1 2 3 4 5
1 1 1 1 1 1
2 4 1 -1 1 -1
3 2 1 -1 -1 1
4 3 1 1 -1 -1
NEqShl:
1 2 3 4
1 1 7 1 7
2 2 8 2 8
3 3 9 3 9
4 4 10 4 10
5 5 28 5 28
6 6 29 6 29
7 7 1 7 1
8 8 2 8 2
9 9 3 9 3
10 10 4 10 4
11 11 13 11 13
12 12 30 12 30
13 13 11 13 11
14 14 21 14 21
15 15 22 15 22
16 16 24 16 24
17 17 25 17 25
18 18 26 18 26
19 19 23 19 23
20 20 27 20 27
21 21 14 21 14
22 22 15 22 15
23 23 19 23 19
24 24 16 24 16
25 25 17 25 17
26 26 18 26 18
27 27 20 27 20
28 28 5 28 5
29 29 6 29 6
30 30 12 30 12
NEqBas:
1 2 3 4
1 1 16 1 16
2 2 17 2 17
3 3 -18 3 -18
4 4 -19 4 -19
5 5 20 -5 -20
6 6 21 6 21
7 7 22 7 22
8 8 -23 8 -23
9 9 -24 9 -24
10 10 25 -10 -25
11 11 55 11 55
12 12 56 12 56
13 13 -57 13 -57
14 14 -58 14 -58
15 15 59 -15 -59
16 16 1 16 1
17 17 2 17 2
18 18 -3 18 -3
19 19 -4 19 -4
20 20 5 -20 -5
21 21 6 21 6
22 22 7 22 7
23 23 -8 23 -8
24 24 -9 24 -9
25 25 10 -25 -10
26 26 28 26 28
27 27 60 27 60
28 28 26 28 26
29 29 42 29 42
30 30 43 30 43
31 31 -44 31 -44
32 32 -45 32 -45
33 33 46 -33 -46
34 34 48 34 48
35 35 49 35 49
36 36 -50 36 -50
37 37 -51 37 -51
38 38 52 -38 -52
39 39 53 39 53
40 40 47 40 47
41 41 54 41 54
42 42 29 42 29
43 43 30 43 30
44 44 -31 44 -31
45 45 -32 45 -32
46 46 33 -46 -33
47 47 40 47 40
48 48 34 48 34
49 49 35 49 35
50 50 -36 50 -36
51 51 -37 51 -37
52 52 38 -52 -38
53 53 39 53 39
54 54 41 54 41
55 55 11 55 11
56 56 12 56 12
57 57 -13 57 -13
58 58 -14 58 -14
59 59 15 -59 -15
60 60 27 60 27
There are 25 symmetry adapted basis functions of AG symmetry.
1 1 16 16 1
2 2 17 17 2
3 3 -18 -18 3
4 4 -19 -19 4
5 6 21 21 6
6 7 22 22 7
7 8 -23 -23 8
8 9 -24 -24 9
9 11 55 55 11
10 12 56 56 12
11 13 -57 -57 13
12 14 -58 -58 14
13 26 28 28 26
14 27 60 60 27
15 29 42 42 29
16 30 43 43 30
17 31 -44 -44 31
18 32 -45 -45 32
19 34 48 48 34
20 35 49 49 35
21 36 -50 -50 36
22 37 -51 -51 37
23 39 53 53 39
24 40 47 47 40
25 41 54 54 41
There are 5 symmetry adapted basis functions of BG symmetry.
26 5 -20 -20 5
27 10 -25 -25 10
28 15 -59 -59 15
29 33 -46 -46 33
30 38 -52 -52 38
There are 5 symmetry adapted basis functions of AU symmetry.
31 5 20 20 5
32 10 25 25 10
33 15 59 59 15
34 33 46 46 33
35 38 52 52 38
There are 25 symmetry adapted basis functions of BU symmetry.
36 1 -16 -16 1
37 2 -17 -17 2
38 3 18 18 3
39 4 19 19 4
40 6 -21 -21 6
41 7 -22 -22 7
42 8 23 23 8
43 9 24 24 9
44 11 -55 -55 11
45 12 -56 -56 12
46 13 57 57 13
47 14 58 58 14
48 26 -28 -28 26
49 27 -60 -60 27
50 29 -42 -42 29
51 30 -43 -43 30
52 31 44 44 31
53 32 45 45 32
54 34 -48 -48 34
55 35 -49 -49 35
56 36 50 50 36
57 37 51 51 37
58 39 -53 -53 39
59 40 -47 -47 40
60 41 -54 -54 41
Order= 1 4 2 3
Reordered character table:
1 2 3 4 5
1 1 1 1 1 1
2 4 1 -1 1 -1
3 2 1 -1 -1 1
4 3 1 1 -1 -1
60 basis functions, 180 primitive gaussians, 60 cartesian basis functions
35 alpha electrons 35 beta electrons
nuclear repulsion energy 445.8952146435 Hartrees.
IS= 1 IAt= 1 ISR= 1 T=0 IP= 1 IndIP= 1 IndIPD= 0 C= 2.707814D+00 0.000000D+00 NZ=T
IS= 1 IAt= 1 ISR= 1 T=0 IP= 2 IndIP= 2 IndIPD= 1 C= 2.618880D+00 0.000000D+00 NZ=T
IS= 1 IAt= 1 ISR= 1 T=0 IP= 3 IndIP= 3 IndIPD= 2 C= 8.161906D-01 0.000000D+00 NZ=T
IS= 2 IAt= 1 ISR= 2 T=1 IP= 1 IndIP= 4 IndIPD= 0 C= -1.600172D-01 8.560445D-01 NZ=T
IS= 2 IAt= 1 ISR= 2 T=1 IP= 2 IndIP= 5 IndIPD= 1 C= 2.140359D-01 5.383038D-01 NZ=T
IS= 2 IAt= 1 ISR= 2 T=1 IP= 3 IndIP= 6 IndIPD= 2 C= 1.615361D-01 8.527636D-02 NZ=T
IS= 3 IAt= 2 ISR= 1 T=0 IP= 1 IndIP= 7 IndIPD= 0 C= 2.707814D+00 0.000000D+00 NZ=T
IS= 3 IAt= 2 ISR= 1 T=0 IP= 2 IndIP= 8 IndIPD= 1 C= 2.618880D+00 0.000000D+00 NZ=T
IS= 3 IAt= 2 ISR= 1 T=0 IP= 3 IndIP= 9 IndIPD= 2 C= 8.161906D-01 0.000000D+00 NZ=T
IS= 4 IAt= 2 ISR= 2 T=1 IP= 1 IndIP= 10 IndIPD= 0 C= -1.600172D-01 8.560445D-01 NZ=T
IS= 4 IAt= 2 ISR= 2 T=1 IP= 2 IndIP= 11 IndIPD= 1 C= 2.140359D-01 5.383038D-01 NZ=T
IS= 4 IAt= 2 ISR= 2 T=1 IP= 3 IndIP= 12 IndIPD= 2 C= 1.615361D-01 8.527636D-02 NZ=T
IS= 5 IAt= 3 ISR= 1 T=0 IP= 1 IndIP= 13 IndIPD= 0 C= 2.707814D+00 0.000000D+00 NZ=T
IS= 5 IAt= 3 ISR= 1 T=0 IP= 2 IndIP= 14 IndIPD= 1 C= 2.618880D+00 0.000000D+00 NZ=T
IS= 5 IAt= 3 ISR= 1 T=0 IP= 3 IndIP= 15 IndIPD= 2 C= 8.161906D-01 0.000000D+00 NZ=T
IS= 6 IAt= 3 ISR= 2 T=1 IP= 1 IndIP= 16 IndIPD= 0 C= -1.600172D-01 8.560445D-01 NZ=T
IS= 6 IAt= 3 ISR= 2 T=1 IP= 2 IndIP= 17 IndIPD= 1 C= 2.140359D-01 5.383038D-01 NZ=T
IS= 6 IAt= 3 ISR= 2 T=1 IP= 3 IndIP= 18 IndIPD= 2 C= 1.615361D-01 8.527636D-02 NZ=T
IS= 7 IAt= 4 ISR= 1 T=0 IP= 1 IndIP= 19 IndIPD= 0 C= 2.707814D+00 0.000000D+00 NZ=T
IS= 7 IAt= 4 ISR= 1 T=0 IP= 2 IndIP= 20 IndIPD= 1 C= 2.618880D+00 0.000000D+00 NZ=T
IS= 7 IAt= 4 ISR= 1 T=0 IP= 3 IndIP= 21 IndIPD= 2 C= 8.161906D-01 0.000000D+00 NZ=T
IS= 8 IAt= 4 ISR= 2 T=1 IP= 1 IndIP= 22 IndIPD= 0 C= -1.600172D-01 8.560445D-01 NZ=T
IS= 8 IAt= 4 ISR= 2 T=1 IP= 2 IndIP= 23 IndIPD= 1 C= 2.140359D-01 5.383038D-01 NZ=T
IS= 8 IAt= 4 ISR= 2 T=1 IP= 3 IndIP= 24 IndIPD= 2 C= 1.615361D-01 8.527636D-02 NZ=T
IS= 9 IAt= 5 ISR= 1 T=0 IP= 1 IndIP= 25 IndIPD= 0 C= 2.707814D+00 0.000000D+00 NZ=T
IS= 9 IAt= 5 ISR= 1 T=0 IP= 2 IndIP= 26 IndIPD= 1 C= 2.618880D+00 0.000000D+00 NZ=T
IS= 9 IAt= 5 ISR= 1 T=0 IP= 3 IndIP= 27 IndIPD= 2 C= 8.161906D-01 0.000000D+00 NZ=T
IS= 10 IAt= 5 ISR= 2 T=1 IP= 1 IndIP= 28 IndIPD= 0 C= -1.600172D-01 8.560445D-01 NZ=T
IS= 10 IAt= 5 ISR= 2 T=1 IP= 2 IndIP= 29 IndIPD= 1 C= 2.140359D-01 5.383038D-01 NZ=T
IS= 10 IAt= 5 ISR= 2 T=1 IP= 3 IndIP= 30 IndIPD= 2 C= 1.615361D-01 8.527636D-02 NZ=T
IS= 11 IAt= 6 ISR= 1 T=0 IP= 1 IndIP= 31 IndIPD= 0 C= 2.769344D-01 0.000000D+00 NZ=T
IS= 11 IAt= 6 ISR= 1 T=0 IP= 2 IndIP= 32 IndIPD= 1 C= 2.678389D-01 0.000000D+00 NZ=T
IS= 11 IAt= 6 ISR= 1 T=0 IP= 3 IndIP= 33 IndIPD= 2 C= 8.347367D-02 0.000000D+00 NZ=T
IS= 12 IAt= 7 ISR= 1 T=0 IP= 1 IndIP= 34 IndIPD= 0 C= 2.769344D-01 0.000000D+00 NZ=T
IS= 12 IAt= 7 ISR= 1 T=0 IP= 2 IndIP= 35 IndIPD= 1 C= 2.678389D-01 0.000000D+00 NZ=T
IS= 12 IAt= 7 ISR= 1 T=0 IP= 3 IndIP= 36 IndIPD= 2 C= 8.347367D-02 0.000000D+00 NZ=T
IS= 13 IAt= 8 ISR= 1 T=0 IP= 1 IndIP= 37 IndIPD= 0 C= 2.769344D-01 0.000000D+00 NZ=T
IS= 13 IAt= 8 ISR= 1 T=0 IP= 2 IndIP= 38 IndIPD= 1 C= 2.678389D-01 0.000000D+00 NZ=T
IS= 13 IAt= 8 ISR= 1 T=0 IP= 3 IndIP= 39 IndIPD= 2 C= 8.347367D-02 0.000000D+00 NZ=T
IS= 14 IAt= 9 ISR= 1 T=0 IP= 1 IndIP= 40 IndIPD= 0 C= 2.707814D+00 0.000000D+00 NZ=T
IS= 14 IAt= 9 ISR= 1 T=0 IP= 2 IndIP= 41 IndIPD= 1 C= 2.618880D+00 0.000000D+00 NZ=T
IS= 14 IAt= 9 ISR= 1 T=0 IP= 3 IndIP= 42 IndIPD= 2 C= 8.161906D-01 0.000000D+00 NZ=T
IS= 15 IAt= 9 ISR= 2 T=1 IP= 1 IndIP= 43 IndIPD= 0 C= -1.600172D-01 8.560445D-01 NZ=T
IS= 15 IAt= 9 ISR= 2 T=1 IP= 2 IndIP= 44 IndIPD= 1 C= 2.140359D-01 5.383038D-01 NZ=T
IS= 15 IAt= 9 ISR= 2 T=1 IP= 3 IndIP= 45 IndIPD= 2 C= 1.615361D-01 8.527636D-02 NZ=T
IS= 16 IAt= 10 ISR= 1 T=0 IP= 1 IndIP= 46 IndIPD= 0 C= 2.707814D+00 0.000000D+00 NZ=T
IS= 16 IAt= 10 ISR= 1 T=0 IP= 2 IndIP= 47 IndIPD= 1 C= 2.618880D+00 0.000000D+00 NZ=T
IS= 16 IAt= 10 ISR= 1 T=0 IP= 3 IndIP= 48 IndIPD= 2 C= 8.161906D-01 0.000000D+00 NZ=T
IS= 17 IAt= 10 ISR= 2 T=1 IP= 1 IndIP= 49 IndIPD= 0 C= -1.600172D-01 8.560445D-01 NZ=T
IS= 17 IAt= 10 ISR= 2 T=1 IP= 2 IndIP= 50 IndIPD= 1 C= 2.140359D-01 5.383038D-01 NZ=T
IS= 17 IAt= 10 ISR= 2 T=1 IP= 3 IndIP= 51 IndIPD= 2 C= 1.615361D-01 8.527636D-02 NZ=T
IS= 18 IAt= 11 ISR= 1 T=0 IP= 1 IndIP= 52 IndIPD= 0 C= 2.769344D-01 0.000000D+00 NZ=T
IS= 18 IAt= 11 ISR= 1 T=0 IP= 2 IndIP= 53 IndIPD= 1 C= 2.678389D-01 0.000000D+00 NZ=T
IS= 18 IAt= 11 ISR= 1 T=0 IP= 3 IndIP= 54 IndIPD= 2 C= 8.347367D-02 0.000000D+00 NZ=T
IS= 19 IAt= 12 ISR= 1 T=0 IP= 1 IndIP= 55 IndIPD= 0 C= 2.769344D-01 0.000000D+00 NZ=T
IS= 19 IAt= 12 ISR= 1 T=0 IP= 2 IndIP= 56 IndIPD= 1 C= 2.678389D-01 0.000000D+00 NZ=T
IS= 19 IAt= 12 ISR= 1 T=0 IP= 3 IndIP= 57 IndIPD= 2 C= 8.347367D-02 0.000000D+00 NZ=T
IS= 20 IAt= 13 ISR= 1 T=0 IP= 1 IndIP= 58 IndIPD= 0 C= 2.769344D-01 0.000000D+00 NZ=T
IS= 20 IAt= 13 ISR= 1 T=0 IP= 2 IndIP= 59 IndIPD= 1 C= 2.678389D-01 0.000000D+00 NZ=T
IS= 20 IAt= 13 ISR= 1 T=0 IP= 3 IndIP= 60 IndIPD= 2 C= 8.347367D-02 0.000000D+00 NZ=T
IS= 21 IAt= 14 ISR= 1 T=0 IP= 1 IndIP= 61 IndIPD= 0 C= 2.707814D+00 0.000000D+00 NZ=T
IS= 21 IAt= 14 ISR= 1 T=0 IP= 2 IndIP= 62 IndIPD= 1 C= 2.618880D+00 0.000000D+00 NZ=T
IS= 21 IAt= 14 ISR= 1 T=0 IP= 3 IndIP= 63 IndIPD= 2 C= 8.161906D-01 0.000000D+00 NZ=T
IS= 22 IAt= 14 ISR= 2 T=1 IP= 1 IndIP= 64 IndIPD= 0 C= -1.600172D-01 8.560445D-01 NZ=T
IS= 22 IAt= 14 ISR= 2 T=1 IP= 2 IndIP= 65 IndIPD= 1 C= 2.140359D-01 5.383038D-01 NZ=T
IS= 22 IAt= 14 ISR= 2 T=1 IP= 3 IndIP= 66 IndIPD= 2 C= 1.615361D-01 8.527636D-02 NZ=T
IS= 23 IAt= 15 ISR= 1 T=0 IP= 1 IndIP= 67 IndIPD= 0 C= 2.769344D-01 0.000000D+00 NZ=T
IS= 23 IAt= 15 ISR= 1 T=0 IP= 2 IndIP= 68 IndIPD= 1 C= 2.678389D-01 0.000000D+00 NZ=T
IS= 23 IAt= 15 ISR= 1 T=0 IP= 3 IndIP= 69 IndIPD= 2 C= 8.347367D-02 0.000000D+00 NZ=T
IS= 24 IAt= 16 ISR= 1 T=0 IP= 1 IndIP= 70 IndIPD= 0 C= 2.707814D+00 0.000000D+00 NZ=T
IS= 24 IAt= 16 ISR= 1 T=0 IP= 2 IndIP= 71 IndIPD= 1 C= 2.618880D+00 0.000000D+00 NZ=T
IS= 24 IAt= 16 ISR= 1 T=0 IP= 3 IndIP= 72 IndIPD= 2 C= 8.161906D-01 0.000000D+00 NZ=T
IS= 25 IAt= 16 ISR= 2 T=1 IP= 1 IndIP= 73 IndIPD= 0 C= -1.600172D-01 8.560445D-01 NZ=T
IS= 25 IAt= 16 ISR= 2 T=1 IP= 2 IndIP= 74 IndIPD= 1 C= 2.140359D-01 5.383038D-01 NZ=T
IS= 25 IAt= 16 ISR= 2 T=1 IP= 3 IndIP= 75 IndIPD= 2 C= 1.615361D-01 8.527636D-02 NZ=T
IS= 26 IAt= 17 ISR= 1 T=0 IP= 1 IndIP= 76 IndIPD= 0 C= 2.769344D-01 0.000000D+00 NZ=T
IS= 26 IAt= 17 ISR= 1 T=0 IP= 2 IndIP= 77 IndIPD= 1 C= 2.678389D-01 0.000000D+00 NZ=T
IS= 26 IAt= 17 ISR= 1 T=0 IP= 3 IndIP= 78 IndIPD= 2 C= 8.347367D-02 0.000000D+00 NZ=T
IS= 27 IAt= 18 ISR= 1 T=0 IP= 1 IndIP= 79 IndIPD= 0 C= 2.769344D-01 0.000000D+00 NZ=T
IS= 27 IAt= 18 ISR= 1 T=0 IP= 2 IndIP= 80 IndIPD= 1 C= 2.678389D-01 0.000000D+00 NZ=T
IS= 27 IAt= 18 ISR= 1 T=0 IP= 3 IndIP= 81 IndIPD= 2 C= 8.347367D-02 0.000000D+00 NZ=T
IS= 28 IAt= 19 ISR= 1 T=0 IP= 1 IndIP= 82 IndIPD= 0 C= 2.707814D+00 0.000000D+00 NZ=T
IS= 28 IAt= 19 ISR= 1 T=0 IP= 2 IndIP= 83 IndIPD= 1 C= 2.618880D+00 0.000000D+00 NZ=T
IS= 28 IAt= 19 ISR= 1 T=0 IP= 3 IndIP= 84 IndIPD= 2 C= 8.161906D-01 0.000000D+00 NZ=T
IS= 29 IAt= 19 ISR= 2 T=1 IP= 1 IndIP= 85 IndIPD= 0 C= -1.600172D-01 8.560445D-01 NZ=T
IS= 29 IAt= 19 ISR= 2 T=1 IP= 2 IndIP= 86 IndIPD= 1 C= 2.140359D-01 5.383038D-01 NZ=T
IS= 29 IAt= 19 ISR= 2 T=1 IP= 3 IndIP= 87 IndIPD= 2 C= 1.615361D-01 8.527636D-02 NZ=T
IS= 30 IAt= 20 ISR= 1 T=0 IP= 1 IndIP= 88 IndIPD= 0 C= 2.769344D-01 0.000000D+00 NZ=T
IS= 30 IAt= 20 ISR= 1 T=0 IP= 2 IndIP= 89 IndIPD= 1 C= 2.678389D-01 0.000000D+00 NZ=T
IS= 30 IAt= 20 ISR= 1 T=0 IP= 3 IndIP= 90 IndIPD= 2 C= 8.347367D-02 0.000000D+00 NZ=T
IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000
ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000
IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi= 4
NAtoms= 20 NActive= 20 NUniq= 10 SFac= 4.00D+00 NAtFMM= 60 NAOKFM=F Big=F
Integral buffers will be 131072 words long.
Raffenetti 2 integral format.
Two-electron integral symmetry is turned on.
Leave Link 301 at Thu Apr 5 09:06:02 2018, MaxMem= 52428800 cpu: 0.1 elap: 0.1
(Enter /software/Gaussian16/g16_sse4/g16/l302.exe)
NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1
NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0.
One-electron integrals computed using PRISM.
One-electron integral symmetry used in STVInt
Entering OneElI...
Calculate overlap and kinetic energy integrals
NBasis = 60 MinDer = 0 MaxDer = 0
Requested accuracy = 0.1000D-12
Symmetry will be used
PrmmSu-InSpLW: IPartL= 0 NPrtUS= 1 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 0 NThAct= 1.
PrsmSu: NPrtUS= 1 ThrOK=F IAlg=1 NPAlg=1 LenDen= 0 ISkipM=0 DoSpLW=F IThBeg= 0 IThEnd= 0.
Prism: IPart= 0 DynPar=F LinDyn=F Incr= 4.
PRISM was handed 52366968 working-precision words and 442 shell-pairs
IPart= 0 NShTot= 226 NBatch= 19 AvBLen= 11.9
PrSmSu: NxtVal= 5.
*** Overlap ***
1 2 3 4 5
1 0.100000D+01
2 0.248362D+00 0.100000D+01
3 0.000000D+00 0.000000D+00 0.100000D+01
4 0.000000D+00 0.000000D+00 0.000000D+00 0.100000D+01
5 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.100000D+01
6 0.000000D+00 0.356456D-01 -0.555175D-01 -0.203664D-01 0.000000D+00
7 0.356456D-01 0.354136D+00 -0.356932D+00 -0.130939D+00 0.000000D+00
8 0.555175D-01 0.356932D+00 -0.263829D+00 -0.171978D+00 0.000000D+00
9 0.203664D-01 0.130939D+00 -0.171978D+00 0.141884D+00 0.000000D+00
10 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.204973D+00
11 0.000000D+00 0.159338D-02 -0.242045D-02 -0.283377D-02 0.000000D+00
12 0.159338D-02 0.563308D-01 -0.543503D-01 -0.636314D-01 0.000000D+00
13 0.242045D-02 0.543503D-01 -0.343590D-01 -0.675904D-01 0.000000D+00
14 0.283377D-02 0.636314D-01 -0.675904D-01 -0.557596D-01 0.000000D+00
15 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.233729D-01
16 0.000000D+00 0.298131D-03 -0.152754D-03 -0.799427D-03 0.000000D+00
17 0.298131D-03 0.216810D-01 -0.665418D-02 -0.348241D-01 0.000000D+00
18 0.152754D-03 0.665418D-02 0.604764D-02 -0.114765D-01 0.000000D+00
19 0.799427D-03 0.348241D-01 -0.114765D-01 -0.518205D-01 0.000000D+00
20 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.824056D-02
21 0.000000D+00 0.155139D-02 0.117519D-02 -0.344394D-02 0.000000D+00
22 0.155139D-02 0.554678D-01 0.266585D-01 -0.781239D-01 0.000000D+00
23 -0.117519D-02 -0.266585D-01 0.887822D-02 0.413153D-01 0.000000D+00
24 0.344394D-02 0.781239D-01 0.413153D-01 -0.981002D-01 0.000000D+00
25 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.229764D-01
26 0.503535D-02 0.922559D-01 -0.119239D+00 0.119245D-01 0.000000D+00
27 0.803151D-04 0.592287D-02 -0.754843D-02 -0.637056D-02 0.000000D+00
28 0.794284D-04 0.588183D-02 0.465125D-02 -0.864135D-02 0.000000D+00
29 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
30 0.000000D+00 0.256697D-03 -0.113763D-03 -0.557663D-03 0.000000D+00
31 0.000000D+00 0.113763D-03 0.314767D-04 -0.250223D-03 0.000000D+00
32 0.000000D+00 0.557663D-03 -0.250223D-03 -0.114407D-02 0.000000D+00
33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.825220D-04
34 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
35 0.000000D+00 0.700967D-05 0.000000D+00 -0.185919D-04 0.000000D+00
36 0.000000D+00 0.000000D+00 0.220617D-05 0.000000D+00 0.000000D+00
37 0.000000D+00 0.185919D-04 0.000000D+00 -0.472093D-04 0.000000D+00
38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.220617D-05
39 0.000000D+00 0.231584D-04 0.109451D-04 -0.519410D-04 0.000000D+00
40 0.000000D+00 0.819330D-04 -0.701392D-04 -0.161761D-03 0.000000D+00
41 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
42 0.000000D+00 0.295668D-01 0.110065D-01 0.480721D-01 0.000000D+00
43 0.295668D-01 0.317711D+00 0.785766D-01 0.343192D+00 0.000000D+00
44 -0.110065D-01 -0.785766D-01 0.153181D+00 -0.108321D+00 0.000000D+00
45 -0.480721D-01 -0.343192D+00 -0.108321D+00 -0.295123D+00 0.000000D+00
46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.177982D+00
47 0.490618D-02 0.905535D-01 0.758704D-01 0.902461D-01 0.000000D+00
48 0.000000D+00 0.115868D-02 -0.594367D-03 0.273746D-02 0.000000D+00
49 0.115868D-02 0.468799D-01 -0.150826D-01 0.694657D-01 0.000000D+00
50 0.594367D-03 0.150826D-01 0.137693D-01 0.244623D-01 0.000000D+00
51 -0.273746D-02 -0.694657D-01 0.244623D-01 -0.935846D-01 0.000000D+00
52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.190806D-01
53 0.733096D-03 0.245124D-01 -0.209556D-01 0.300825D-01 0.000000D+00
54 0.577463D-04 0.481980D-02 -0.450944D-03 0.813858D-02 0.000000D+00
55 0.000000D+00 0.355365D-01 0.437666D-01 -0.395023D-01 0.000000D+00
56 0.355365D-01 0.353512D+00 0.281890D+00 -0.254425D+00 0.000000D+00
57 -0.437666D-01 -0.281890D+00 -0.883123D-01 0.264282D+00 0.000000D+00
58 0.395023D-01 0.254425D+00 0.264282D+00 -0.340330D-01 0.000000D+00
59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.204499D+00
60 0.511385D-02 0.932855D-01 0.116367D+00 -0.331597D-01 0.000000D+00
6 7 8 9 10
6 0.100000D+01
7 0.248362D+00 0.100000D+01
8 0.000000D+00 0.000000D+00 0.100000D+01
9 0.000000D+00 0.000000D+00 0.000000D+00 0.100000D+01
10 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.100000D+01
11 0.000000D+00 0.373171D-01 -0.115002D-01 -0.607972D-01 0.000000D+00
12 0.373171D-01 0.363569D+00 -0.719491D-01 -0.380368D+00 0.000000D+00
13 0.115002D-01 0.719491D-01 0.193541D+00 -0.986234D-01 0.000000D+00
14 0.607972D-01 0.380368D+00 -0.986234D-01 -0.309188D+00 0.000000D+00
15 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.212197D+00
16 0.000000D+00 0.155139D-02 0.117519D-02 -0.344394D-02 0.000000D+00
17 0.155139D-02 0.554678D-01 0.266585D-01 -0.781239D-01 0.000000D+00
18 -0.117519D-02 -0.266585D-01 0.887822D-02 0.413153D-01 0.000000D+00
19 0.344394D-02 0.781239D-01 0.413153D-01 -0.981002D-01 0.000000D+00
20 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.229764D-01
21 0.000000D+00 0.379396D-03 0.768298D-03 -0.664305D-03 0.000000D+00
22 0.379396D-03 0.248323D-01 0.303423D-01 -0.262354D-01 0.000000D+00
23 -0.768298D-03 -0.303423D-01 -0.303882D-01 0.345243D-01 0.000000D+00
24 0.664305D-03 0.262354D-01 0.345243D-01 -0.203107D-01 0.000000D+00
25 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.954060D-02
26 0.611804D-01 0.486391D+00 -0.355469D+00 0.299239D+00 0.000000D+00
27 0.527002D-02 0.953225D-01 -0.739685D-01 -0.986476D-01 0.000000D+00
28 0.109529D-04 0.173142D-02 0.237390D-02 -0.203726D-02 0.000000D+00
29 0.000000D+00 0.247925D-05 0.108476D-05 -0.891765D-05 0.000000D+00
30 0.247925D-05 0.157355D-02 0.377385D-03 -0.310244D-02 0.000000D+00
31 -0.108476D-05 -0.377385D-03 0.431118D-03 0.765115D-03 0.000000D+00
32 0.891765D-05 0.310244D-02 0.765115D-03 -0.576573D-02 0.000000D+00
33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.524188D-03
34 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
35 0.000000D+00 0.247420D-04 0.165556D-04 -0.597181D-04 0.000000D+00
36 0.000000D+00 -0.165556D-04 -0.330571D-05 0.401176D-04 0.000000D+00
37 0.000000D+00 0.597181D-04 0.401176D-04 -0.136893D-03 0.000000D+00
38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.781606D-05
39 0.000000D+00 0.241914D-04 0.254888D-04 -0.491138D-04 0.000000D+00
40 0.559025D-05 0.115032D-02 -0.324110D-03 -0.210663D-02 0.000000D+00
41 0.000000D+00 0.174870D-05 0.000000D+00 -0.442413D-05 0.000000D+00
42 0.000000D+00 0.104761D-02 0.166360D-02 0.194361D-02 0.000000D+00
43 0.104761D-02 0.442446D-01 0.438972D-01 0.512856D-01 0.000000D+00
44 -0.166360D-02 -0.438972D-01 -0.296858D-01 -0.555998D-01 0.000000D+00
45 -0.194361D-02 -0.512856D-01 -0.555998D-01 -0.470540D-01 0.000000D+00
46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.179039D-01
47 0.647997D-04 0.517891D-02 0.683975D-02 0.540251D-02 0.000000D+00
48 0.000000D+00 0.118686D-03 0.897120D-04 0.335166D-03 0.000000D+00
49 0.118686D-03 0.129626D-01 0.572522D-02 0.213896D-01 0.000000D+00
50 -0.897120D-04 -0.572522D-02 0.206248D-02 -0.100388D-01 0.000000D+00
51 -0.335166D-03 -0.213896D-01 -0.100388D-01 -0.327559D-01 0.000000D+00
52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.474952D-02
53 0.747078D-03 0.248210D-01 -0.379630D-02 0.368877D-01 0.000000D+00
54 0.325873D-05 0.829883D-03 0.428297D-03 0.150872D-02 0.000000D+00
55 0.000000D+00 0.172137D-02 0.391965D-02 -0.760265D-03 0.000000D+00
56 0.172137D-02 0.589065D-01 0.854660D-01 -0.165772D-01 0.000000D+00
57 -0.391965D-02 -0.854660D-01 -0.112163D+00 0.265194D-01 0.000000D+00
58 0.760265D-03 0.165772D-01 0.265194D-01 0.194177D-01 0.000000D+00
59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.245614D-01
60 0.855248D-04 0.616088D-02 0.102415D-01 -0.321382D-03 0.000000D+00
11 12 13 14 15
11 0.100000D+01
12 0.248362D+00 0.100000D+01
13 0.000000D+00 0.000000D+00 0.100000D+01
14 0.000000D+00 0.000000D+00 0.000000D+00 0.100000D+01
15 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.100000D+01
16 0.000000D+00 0.355365D-01 0.437666D-01 -0.395023D-01 0.000000D+00
17 0.355365D-01 0.353512D+00 0.281890D+00 -0.254425D+00 0.000000D+00
18 -0.437666D-01 -0.281890D+00 -0.883123D-01 0.264282D+00 0.000000D+00
19 0.395023D-01 0.254425D+00 0.264282D+00 -0.340330D-01 0.000000D+00
20 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.204499D+00
21 0.000000D+00 0.172137D-02 0.391965D-02 -0.760265D-03 0.000000D+00
22 0.172137D-02 0.589065D-01 0.854660D-01 -0.165772D-01 0.000000D+00
23 -0.391965D-02 -0.854660D-01 -0.112163D+00 0.265194D-01 0.000000D+00
24 0.760265D-03 0.165772D-01 0.265194D-01 0.194177D-01 0.000000D+00
25 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.245614D-01
26 0.531624D-02 0.959225D-01 -0.331828D-01 0.119452D+00 0.000000D+00
27 0.610317D-01 0.485793D+00 -0.439243D+00 -0.150440D+00 0.000000D+00
28 0.841132D-04 0.609691D-02 0.954029D-02 -0.345729D-02 0.000000D+00
29 0.000000D+00 0.125698D-02 0.863649D-03 -0.288748D-02 0.000000D+00
30 0.125698D-02 0.491280D-01 0.212376D-01 -0.710049D-01 0.000000D+00
31 -0.863649D-03 -0.212376D-01 0.100284D-01 0.336447D-01 0.000000D+00
32 0.288748D-02 0.710049D-01 0.336447D-01 -0.923944D-01 0.000000D+00
33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.200915D-01
34 0.000000D+00 0.296871D-05 0.449297D-05 -0.967712D-05 0.000000D+00
35 0.296871D-05 0.173367D-02 0.144092D-02 -0.310350D-02 0.000000D+00
36 -0.449297D-05 -0.144092D-02 -0.653746D-03 0.265549D-02 0.000000D+00
37 0.967712D-05 0.310350D-02 0.265549D-02 -0.514033D-02 0.000000D+00
38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.579168D-03
39 0.232424D-05 0.676845D-03 0.818540D-03 -0.100319D-02 0.000000D+00
40 0.132573D-02 0.364358D-01 -0.704661D-02 -0.520503D-01 0.000000D+00
41 0.000000D+00 0.191885D-03 0.106202D-03 -0.379939D-03 0.000000D+00
42 0.000000D+00 0.211738D-05 0.387563D-05 0.668418D-05 0.000000D+00
43 0.211738D-05 0.144564D-02 0.144814D-02 0.249755D-02 0.000000D+00
44 -0.387563D-05 -0.144814D-02 -0.100980D-02 -0.257015D-02 0.000000D+00
45 -0.668418D-05 -0.249755D-02 -0.257015D-02 -0.395224D-02 0.000000D+00
46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.480429D-03
47 0.000000D+00 0.190126D-03 0.252901D-03 0.298310D-03 0.000000D+00
48 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
49 0.000000D+00 0.175593D-03 0.938319D-04 0.386467D-03 0.000000D+00
50 0.000000D+00 -0.938319D-04 0.554205D-05 -0.208663D-03 0.000000D+00
51 0.000000D+00 -0.386467D-03 -0.208663D-03 -0.803216D-03 0.000000D+00
52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.562041D-04
53 0.283615D-05 0.763151D-03 -0.102808D-04 0.144944D-02 0.000000D+00
54 0.000000D+00 0.748383D-05 0.454091D-05 0.174873D-04 0.000000D+00
55 0.000000D+00 0.398010D-03 0.100329D-02 0.345981D-03 0.000000D+00
56 0.398010D-03 0.255125D-01 0.388621D-01 0.134015D-01 0.000000D+00
57 -0.100329D-02 -0.388621D-01 -0.539690D-01 -0.219987D-01 0.000000D+00
58 -0.345981D-03 -0.134015D-01 -0.219987D-01 0.223736D-02 0.000000D+00
59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.982358D-02
60 0.114699D-04 0.178082D-02 0.303698D-02 0.104529D-02 0.000000D+00
16 17 18 19 20
16 0.100000D+01
17 0.248362D+00 0.100000D+01
18 0.000000D+00 0.000000D+00 0.100000D+01
19 0.000000D+00 0.000000D+00 0.000000D+00 0.100000D+01
20 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.100000D+01
21 0.000000D+00 0.356456D-01 0.555175D-01 0.203664D-01 0.000000D+00
22 0.356456D-01 0.354136D+00 0.356932D+00 0.130939D+00 0.000000D+00
23 -0.555175D-01 -0.356932D+00 -0.263829D+00 -0.171978D+00 0.000000D+00
24 -0.203664D-01 -0.130939D+00 -0.171978D+00 0.141884D+00 0.000000D+00
25 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.204973D+00
26 0.794284D-04 0.588183D-02 -0.465125D-02 0.864135D-02 0.000000D+00
27 0.511385D-02 0.932855D-01 -0.116367D+00 0.331597D-01 0.000000D+00
28 0.503535D-02 0.922559D-01 0.119239D+00 -0.119245D-01 0.000000D+00
29 0.000000D+00 0.295668D-01 -0.110065D-01 -0.480721D-01 0.000000D+00
30 0.295668D-01 0.317711D+00 -0.785766D-01 -0.343192D+00 0.000000D+00
31 0.110065D-01 0.785766D-01 0.153181D+00 -0.108321D+00 0.000000D+00
32 0.480721D-01 0.343192D+00 -0.108321D+00 -0.295123D+00 0.000000D+00
33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.177982D+00
34 0.000000D+00 0.115868D-02 0.594367D-03 -0.273746D-02 0.000000D+00
35 0.115868D-02 0.468799D-01 0.150826D-01 -0.694657D-01 0.000000D+00
36 -0.594367D-03 -0.150826D-01 0.137693D-01 0.244623D-01 0.000000D+00
37 0.273746D-02 0.694657D-01 0.244623D-01 -0.935846D-01 0.000000D+00
38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.190806D-01
39 0.733096D-03 0.245124D-01 0.209556D-01 -0.300825D-01 0.000000D+00
40 0.490618D-02 0.905535D-01 -0.758704D-01 -0.902461D-01 0.000000D+00
41 0.577463D-04 0.481980D-02 0.450944D-03 -0.813858D-02 0.000000D+00
42 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
43 0.000000D+00 0.256697D-03 0.113763D-03 0.557663D-03 0.000000D+00
44 0.000000D+00 -0.113763D-03 0.314767D-04 -0.250223D-03 0.000000D+00
45 0.000000D+00 -0.557663D-03 -0.250223D-03 -0.114407D-02 0.000000D+00
46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.825220D-04
47 0.000000D+00 0.819330D-04 0.701392D-04 0.161761D-03 0.000000D+00
48 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
49 0.000000D+00 0.700967D-05 0.000000D+00 0.185919D-04 0.000000D+00
50 0.000000D+00 0.000000D+00 0.220617D-05 0.000000D+00 0.000000D+00
51 0.000000D+00 -0.185919D-04 0.000000D+00 -0.472093D-04 0.000000D+00
52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.220617D-05
53 0.000000D+00 0.231584D-04 -0.109451D-04 0.519410D-04 0.000000D+00
54 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
55 0.000000D+00 0.159338D-02 0.242045D-02 0.283377D-02 0.000000D+00
56 0.159338D-02 0.563308D-01 0.543503D-01 0.636314D-01 0.000000D+00
57 -0.242045D-02 -0.543503D-01 -0.343590D-01 -0.675904D-01 0.000000D+00
58 -0.283377D-02 -0.636314D-01 -0.675904D-01 -0.557596D-01 0.000000D+00
59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.233729D-01
60 0.803151D-04 0.592287D-02 0.754843D-02 0.637056D-02 0.000000D+00
21 22 23 24 25
21 0.100000D+01
22 0.248362D+00 0.100000D+01
23 0.000000D+00 0.000000D+00 0.100000D+01
24 0.000000D+00 0.000000D+00 0.000000D+00 0.100000D+01
25 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.100000D+01
26 0.109529D-04 0.173142D-02 -0.237390D-02 0.203726D-02 0.000000D+00
27 0.855248D-04 0.616088D-02 -0.102415D-01 0.321382D-03 0.000000D+00
28 0.611804D-01 0.486391D+00 0.355469D+00 -0.299239D+00 0.000000D+00
29 0.000000D+00 0.104761D-02 -0.166360D-02 -0.194361D-02 0.000000D+00
30 0.104761D-02 0.442446D-01 -0.438972D-01 -0.512856D-01 0.000000D+00
31 0.166360D-02 0.438972D-01 -0.296858D-01 -0.555998D-01 0.000000D+00
32 0.194361D-02 0.512856D-01 -0.555998D-01 -0.470540D-01 0.000000D+00
33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.179039D-01
34 0.000000D+00 0.118686D-03 -0.897120D-04 -0.335166D-03 0.000000D+00
35 0.118686D-03 0.129626D-01 -0.572522D-02 -0.213896D-01 0.000000D+00
36 0.897120D-04 0.572522D-02 0.206248D-02 -0.100388D-01 0.000000D+00
37 0.335166D-03 0.213896D-01 -0.100388D-01 -0.327559D-01 0.000000D+00
38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.474952D-02
39 0.747078D-03 0.248210D-01 0.379630D-02 -0.368877D-01 0.000000D+00
40 0.647997D-04 0.517891D-02 -0.683975D-02 -0.540251D-02 0.000000D+00
41 0.325873D-05 0.829883D-03 -0.428297D-03 -0.150872D-02 0.000000D+00
42 0.000000D+00 0.247925D-05 -0.108476D-05 0.891765D-05 0.000000D+00
43 0.247925D-05 0.157355D-02 -0.377385D-03 0.310244D-02 0.000000D+00
44 0.108476D-05 0.377385D-03 0.431118D-03 0.765115D-03 0.000000D+00
45 -0.891765D-05 -0.310244D-02 0.765115D-03 -0.576573D-02 0.000000D+00
46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.524188D-03
47 0.559025D-05 0.115032D-02 0.324110D-03 0.210663D-02 0.000000D+00
48 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
49 0.000000D+00 0.247420D-04 -0.165556D-04 0.597181D-04 0.000000D+00
50 0.000000D+00 0.165556D-04 -0.330571D-05 0.401176D-04 0.000000D+00
51 0.000000D+00 -0.597181D-04 0.401176D-04 -0.136893D-03 0.000000D+00
52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.781606D-05
53 0.000000D+00 0.241914D-04 -0.254888D-04 0.491138D-04 0.000000D+00
54 0.000000D+00 0.174870D-05 0.000000D+00 0.442413D-05 0.000000D+00
55 0.000000D+00 0.373171D-01 0.115002D-01 0.607972D-01 0.000000D+00
56 0.373171D-01 0.363569D+00 0.719491D-01 0.380368D+00 0.000000D+00
57 -0.115002D-01 -0.719491D-01 0.193541D+00 -0.986234D-01 0.000000D+00
58 -0.607972D-01 -0.380368D+00 -0.986234D-01 -0.309188D+00 0.000000D+00
59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.212197D+00
60 0.527002D-02 0.953225D-01 0.739685D-01 0.986476D-01 0.000000D+00
26 27 28 29 30
26 0.100000D+01
27 0.510635D-01 0.100000D+01
28 0.104482D-03 0.710536D-03 0.100000D+01
29 0.000000D+00 0.113164D-02 0.844907D-03 0.100000D+01
30 0.171764D-03 0.327466D-01 0.269340D-01 0.248362D+00 0.100000D+01
31 -0.987130D-04 -0.310197D-01 0.357955D-01 0.000000D+00 0.000000D+00
32 0.341302D-03 0.362308D-01 0.177316D-01 0.000000D+00 0.000000D+00
33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
34 0.000000D+00 0.574819D-05 0.861295D-03 0.223803D-05 0.428317D-01
35 0.178205D-05 0.116991D-02 0.272805D-01 0.428317D-01 0.393133D+00
36 -0.167439D-05 -0.140775D-02 0.236573D-01 -0.461348D-01 -0.264882D+00
37 0.425130D-05 0.164547D-02 0.327659D-01 0.540065D-01 0.310077D+00
38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
39 0.134884D-05 0.237931D-03 0.873224D-01 0.558123D-02 0.993390D-01
40 0.246317D-03 0.621102D-01 0.243924D-02 0.607778D-01 0.484771D+00
41 0.000000D+00 0.252870D-03 0.256799D-02 0.578743D-02 0.101971D+00
42 0.844907D-03 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
43 0.269340D-01 0.146637D-03 0.171764D-03 0.000000D+00 0.000000D+00
44 -0.357955D-01 -0.191986D-03 0.987130D-04 0.000000D+00 0.000000D+00
45 -0.177316D-01 -0.238201D-03 -0.341302D-03 0.000000D+00 -0.164995D-05
46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
47 0.243924D-02 0.144645D-04 0.246317D-03 0.000000D+00 0.000000D+00
48 0.861295D-03 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
49 0.272805D-01 0.349796D-04 0.178205D-05 0.000000D+00 0.000000D+00
50 -0.236573D-01 -0.319713D-04 0.167439D-05 0.000000D+00 0.000000D+00
51 -0.327659D-01 -0.717929D-04 -0.425130D-05 0.000000D+00 0.000000D+00
52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
53 0.873224D-01 0.290512D-03 0.134884D-05 0.000000D+00 0.000000D+00
54 0.256799D-02 0.156590D-05 0.000000D+00 0.000000D+00 0.000000D+00
55 0.841132D-04 0.114699D-04 0.531624D-02 0.000000D+00 0.211738D-05
56 0.609691D-02 0.178082D-02 0.959225D-01 0.211738D-05 0.144564D-02
57 -0.954029D-02 -0.303698D-02 0.331828D-01 -0.387563D-05 -0.144814D-02
58 0.345729D-02 -0.104529D-02 -0.119452D+00 -0.668418D-05 -0.249755D-02
59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
60 0.710536D-03 0.107423D-03 0.510635D-01 0.000000D+00 0.146637D-03
31 32 33 34 35
31 0.100000D+01
32 0.000000D+00 0.100000D+01
33 0.000000D+00 0.000000D+00 0.100000D+01
34 0.461348D-01 -0.540065D-01 0.000000D+00 0.100000D+01
35 0.264882D+00 -0.310077D+00 0.000000D+00 0.248362D+00 0.100000D+01
36 -0.235940D-02 0.278410D+00 0.000000D+00 0.000000D+00 0.000000D+00
37 0.278410D+00 -0.904424D-01 0.000000D+00 0.000000D+00 0.000000D+00
38 0.000000D+00 0.000000D+00 0.235471D+00 0.000000D+00 0.000000D+00
39 0.116756D+00 -0.519956D-01 0.000000D+00 0.614078D-01 0.487302D+00
40 -0.454294D+00 -0.927795D-01 0.000000D+00 0.608824D-02 0.105770D+00
41 0.325006D-01 -0.126645D+00 0.000000D+00 0.613762D-01 0.487175D+00
42 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
43 0.000000D+00 0.164995D-05 0.000000D+00 0.000000D+00 0.000000D+00
44 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
45 0.000000D+00 -0.454985D-05 0.000000D+00 0.000000D+00 0.000000D+00
46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
47 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
48 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
49 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
50 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
51 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
53 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
54 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
55 0.387563D-05 0.668418D-05 0.000000D+00 0.000000D+00 0.000000D+00
56 0.144814D-02 0.249755D-02 0.000000D+00 0.000000D+00 0.175593D-03
57 -0.100980D-02 -0.257015D-02 0.000000D+00 0.000000D+00 -0.938319D-04
58 -0.257015D-02 -0.395224D-02 0.000000D+00 0.000000D+00 -0.386467D-03
59 0.000000D+00 0.000000D+00 0.480429D-03 0.000000D+00 0.000000D+00
60 0.191986D-03 0.238201D-03 0.000000D+00 0.000000D+00 0.349796D-04
36 37 38 39 40
36 0.100000D+01
37 0.000000D+00 0.100000D+01
38 0.000000D+00 0.000000D+00 0.100000D+01
39 0.460841D+00 0.635644D-01 0.000000D+00 0.100000D+01
40 -0.124837D+00 0.513038D-01 0.000000D+00 0.145543D-01 0.100000D+01
41 -0.145828D+00 -0.441676D+00 0.000000D+00 0.149273D+00 0.548074D-01
42 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
43 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
44 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
45 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
47 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
48 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
49 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
50 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
51 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
53 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
54 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
55 0.000000D+00 0.000000D+00 0.000000D+00 0.283615D-05 0.000000D+00
56 0.938319D-04 0.386467D-03 0.000000D+00 0.763151D-03 0.190126D-03
57 0.554205D-05 -0.208663D-03 0.000000D+00 0.102808D-04 -0.252901D-03
58 -0.208663D-03 -0.803216D-03 0.000000D+00 -0.144944D-02 -0.298310D-03
59 0.000000D+00 0.000000D+00 0.562041D-04 0.000000D+00 0.000000D+00
60 0.319713D-04 0.717929D-04 0.000000D+00 0.290512D-03 0.144645D-04
41 42 43 44 45
41 0.100000D+01
42 0.000000D+00 0.100000D+01
43 0.000000D+00 0.248362D+00 0.100000D+01
44 0.000000D+00 0.000000D+00 0.000000D+00 0.100000D+01
45 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.100000D+01
46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
47 0.000000D+00 0.607778D-01 0.484771D+00 0.454294D+00 0.927795D-01
48 0.000000D+00 0.223803D-05 0.428317D-01 -0.461348D-01 0.540065D-01
49 0.000000D+00 0.428317D-01 0.393133D+00 -0.264882D+00 0.310077D+00
50 0.000000D+00 0.461348D-01 0.264882D+00 -0.235940D-02 0.278410D+00
51 0.000000D+00 -0.540065D-01 -0.310077D+00 0.278410D+00 -0.904424D-01
52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
53 0.000000D+00 0.558123D-02 0.993390D-01 -0.116756D+00 0.519956D-01
54 0.000000D+00 0.578743D-02 0.101971D+00 -0.325006D-01 0.126645D+00
55 0.000000D+00 0.000000D+00 0.125698D-02 0.863649D-03 -0.288748D-02
56 0.748383D-05 0.125698D-02 0.491280D-01 0.212376D-01 -0.710049D-01
57 -0.454091D-05 -0.863649D-03 -0.212376D-01 0.100284D-01 0.336447D-01
58 -0.174873D-04 0.288748D-02 0.710049D-01 0.336447D-01 -0.923944D-01
59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
60 0.156590D-05 0.113164D-02 0.327466D-01 0.310197D-01 -0.362308D-01
46 47 48 49 50
46 0.100000D+01
47 0.000000D+00 0.100000D+01
48 0.000000D+00 0.608824D-02 0.100000D+01
49 0.000000D+00 0.105770D+00 0.248362D+00 0.100000D+01
50 0.000000D+00 0.124837D+00 0.000000D+00 0.000000D+00 0.100000D+01
51 0.000000D+00 -0.513038D-01 0.000000D+00 0.000000D+00 0.000000D+00
52 0.235471D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
53 0.000000D+00 0.145543D-01 0.614078D-01 0.487302D+00 -0.460841D+00
54 0.000000D+00 0.548074D-01 0.613762D-01 0.487175D+00 0.145828D+00
55 0.000000D+00 0.132573D-02 0.000000D+00 0.296871D-05 0.449297D-05
56 0.000000D+00 0.364358D-01 0.296871D-05 0.173367D-02 0.144092D-02
57 0.000000D+00 0.704661D-02 -0.449297D-05 -0.144092D-02 -0.653746D-03
58 0.000000D+00 0.520503D-01 0.967712D-05 0.310350D-02 0.265549D-02
59 0.200915D-01 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
60 0.000000D+00 0.621102D-01 0.574819D-05 0.116991D-02 0.140775D-02
51 52 53 54 55
51 0.100000D+01
52 0.000000D+00 0.100000D+01
53 -0.635644D-01 0.000000D+00 0.100000D+01
54 0.441676D+00 0.000000D+00 0.149273D+00 0.100000D+01
55 -0.967712D-05 0.000000D+00 0.232424D-05 0.000000D+00 0.100000D+01
56 -0.310350D-02 0.000000D+00 0.676845D-03 0.191885D-03 0.248362D+00
57 0.265549D-02 0.000000D+00 -0.818540D-03 -0.106202D-03 0.000000D+00
58 -0.514033D-02 0.000000D+00 0.100319D-02 0.379939D-03 0.000000D+00
59 0.000000D+00 0.579168D-03 0.000000D+00 0.000000D+00 0.000000D+00
60 -0.164547D-02 0.000000D+00 0.237931D-03 0.252870D-03 0.610317D-01
56 57 58 59 60
56 0.100000D+01
57 0.000000D+00 0.100000D+01
58 0.000000D+00 0.000000D+00 0.100000D+01
59 0.000000D+00 0.000000D+00 0.000000D+00 0.100000D+01
60 0.485793D+00 0.439243D+00 0.150440D+00 0.000000D+00 0.100000D+01
*** Kinetic Energy ***
1 2 3 4 5
1 0.158911D+02
2 -0.858900D-01 0.472250D+00
3 0.000000D+00 0.000000D+00 0.147773D+01
4 0.000000D+00 0.000000D+00 0.000000D+00 0.147773D+01
5 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.147773D+01
6 -0.232366D-04 -0.841005D-02 0.111645D-01 0.409566D-02 0.000000D+00
7 -0.841005D-02 0.409090D-01 -0.131635D+00 -0.482899D-01 0.000000D+00
8 -0.111645D-01 0.131635D+00 -0.250513D+00 -0.116859D+00 0.000000D+00
9 -0.409566D-02 0.482899D-01 -0.116859D+00 0.251682D-01 0.000000D+00
10 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.680375D-01
11 0.000000D+00 -0.207836D-02 0.216256D-02 0.253185D-02 0.000000D+00
12 -0.207836D-02 -0.171083D-01 0.723013D-02 0.846479D-02 0.000000D+00
13 -0.216256D-02 -0.723013D-02 -0.561822D-02 -0.193279D-02 0.000000D+00
14 -0.253185D-02 -0.846479D-02 -0.193279D-02 -0.623018D-02 0.000000D+00
15 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.396734D-02
16 0.000000D+00 -0.598763D-03 0.242487D-03 0.126904D-02 0.000000D+00
17 -0.598763D-03 -0.108345D-01 0.224673D-02 0.117581D-01 0.000000D+00
18 -0.242487D-03 -0.224673D-02 -0.267805D-02 0.209291D-02 0.000000D+00
19 -0.126904D-02 -0.117581D-01 0.209291D-02 0.787508D-02 0.000000D+00
20 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.307796D-02
21 0.000000D+00 -0.204085D-02 -0.106253D-02 0.311378D-02 0.000000D+00
22 -0.204085D-02 -0.170256D-01 -0.363732D-02 0.106593D-01 0.000000D+00
23 0.106253D-02 0.363732D-02 -0.433261D-02 0.103920D-02 0.000000D+00
24 -0.311378D-02 -0.106593D-01 0.103920D-02 -0.702344D-02 0.000000D+00
25 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.397800D-02
26 -0.225906D-02 -0.150264D-01 0.167965D-02 -0.167975D-03 0.000000D+00
27 -0.141418D-03 -0.356722D-02 0.358108D-02 0.302229D-02 0.000000D+00
28 -0.140143D-03 -0.354883D-02 -0.221161D-02 0.410885D-02 0.000000D+00
29 0.000000D+00 0.000000D+00 0.000000D+00 0.169480D-05 0.000000D+00
30 0.000000D+00 -0.356028D-03 0.135885D-03 0.666103D-03 0.000000D+00
31 0.000000D+00 -0.135885D-03 -0.477854D-04 0.254864D-03 0.000000D+00
32 -0.169480D-05 -0.666103D-03 0.254864D-03 0.114956D-02 0.000000D+00
33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.997775D-04
34 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
35 0.000000D+00 -0.151142D-04 0.000000D+00 0.361015D-04 0.000000D+00
36 0.000000D+00 0.000000D+00 -0.429215D-05 0.000000D+00 0.000000D+00
37 0.000000D+00 -0.361015D-04 0.000000D+00 0.813214D-04 0.000000D+00
38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.429215D-05
39 0.000000D+00 -0.359704D-04 -0.150937D-04 0.716287D-04 0.000000D+00
40 0.000000D+00 -0.108323D-03 0.811189D-04 0.187083D-03 0.000000D+00
41 0.000000D+00 0.000000D+00 0.000000D+00 0.181158D-05 0.000000D+00
42 -0.639472D-05 -0.818780D-02 -0.255601D-02 -0.111637D-01 0.000000D+00
43 -0.818780D-02 0.274087D-01 0.255160D-01 0.111444D+00 0.000000D+00
44 0.255601D-02 -0.255160D-01 0.358542D-01 -0.650814D-01 0.000000D+00
45 0.111637D-01 -0.111444D+00 -0.650814D-01 -0.233495D+00 0.000000D+00
46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.507551D-01
47 -0.223469D-02 -0.150435D-01 -0.132276D-02 -0.157339D-02 0.000000D+00
48 0.000000D+00 -0.166553D-02 0.607566D-03 -0.279825D-02 0.000000D+00
49 -0.166553D-02 -0.160349D-01 0.261548D-02 -0.120461D-01 0.000000D+00
50 -0.607566D-03 -0.261548D-02 -0.394010D-02 -0.300531D-03 0.000000D+00
51 0.279825D-02 0.120461D-01 -0.300531D-03 -0.262121D-02 0.000000D+00
52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.400536D-02
53 -0.764644D-03 -0.936198D-02 0.513083D-02 -0.736548D-02 0.000000D+00
54 -0.107862D-03 -0.305706D-02 0.228203D-03 -0.411858D-02 0.000000D+00
55 -0.227595D-04 -0.840813D-02 -0.883233D-02 0.797177D-02 0.000000D+00
56 -0.840813D-02 0.406656D-01 0.103749D+00 -0.936408D-01 0.000000D+00
57 0.883233D-02 -0.103749D+00 -0.130849D+00 0.179218D+00 0.000000D+00
58 -0.797177D-02 0.936408D-01 0.179218D+00 -0.940403D-01 0.000000D+00
59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.677157D-01
60 -0.227362D-02 -0.150130D-01 -0.140658D-02 0.400816D-03 0.000000D+00
6 7 8 9 10
6 0.158911D+02
7 -0.858900D-01 0.472250D+00
8 0.000000D+00 0.000000D+00 0.147773D+01
9 0.000000D+00 0.000000D+00 0.000000D+00 0.147773D+01
10 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.147773D+01
11 -0.316386D-04 -0.842910D-02 0.218069D-02 0.115285D-01 0.000000D+00
12 -0.842910D-02 0.446427D-01 -0.273460D-01 -0.144568D+00 0.000000D+00
13 -0.218069D-02 0.273460D-01 0.599568D-01 -0.690643D-01 0.000000D+00
14 -0.115285D-01 0.144568D+00 -0.690643D-01 -0.292096D+00 0.000000D+00
15 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.730208D-01
16 0.000000D+00 -0.204085D-02 -0.106253D-02 0.311378D-02 0.000000D+00
17 -0.204085D-02 -0.170256D-01 -0.363732D-02 0.106593D-01 0.000000D+00
18 0.106253D-02 0.363732D-02 -0.433261D-02 0.103920D-02 0.000000D+00
19 -0.311378D-02 -0.106593D-01 0.103920D-02 -0.702344D-02 0.000000D+00
20 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.397800D-02
21 0.000000D+00 -0.723443D-03 -0.114181D-02 0.987264D-03 0.000000D+00
22 -0.723443D-03 -0.117290D-01 -0.938762D-02 0.811697D-02 0.000000D+00
23 0.114181D-02 0.938762D-02 0.280421D-02 -0.527395D-02 0.000000D+00
24 -0.987264D-03 -0.811697D-02 -0.527395D-02 0.126476D-02 0.000000D+00
25 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.329535D-02
26 -0.107803D-01 0.104398D+00 -0.196241D+00 0.165198D+00 0.000000D+00
27 -0.230210D-02 -0.149800D-01 0.605533D-03 0.807565D-03 0.000000D+00
28 -0.263648D-04 -0.137921D-02 -0.157078D-02 0.134802D-02 0.000000D+00
29 0.000000D+00 -0.997460D-05 -0.390899D-05 0.321353D-04 0.000000D+00
30 -0.997460D-05 -0.160257D-02 -0.318954D-03 0.262209D-02 0.000000D+00
31 0.390899D-05 0.318954D-03 -0.391650D-03 -0.530083D-03 0.000000D+00
32 -0.321353D-04 -0.262209D-02 -0.530083D-03 0.390162D-02 0.000000D+00
33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.456130D-03
34 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
35 0.000000D+00 -0.465786D-04 -0.277015D-04 0.999229D-04 0.000000D+00
36 0.000000D+00 0.277015D-04 0.324579D-05 -0.590572D-04 0.000000D+00
37 0.000000D+00 -0.999229D-04 -0.590572D-04 0.199900D-03 0.000000D+00
38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.131266D-04
39 0.000000D+00 -0.373799D-04 -0.349508D-04 0.673460D-04 0.000000D+00
40 -0.146749D-04 -0.993188D-03 0.234793D-03 0.152609D-02 0.000000D+00
41 0.000000D+00 -0.356259D-05 -0.138713D-05 0.819740D-05 0.000000D+00
42 0.000000D+00 -0.155011D-02 -0.176914D-02 -0.206691D-02 0.000000D+00
43 -0.155011D-02 -0.156650D-01 -0.816634D-02 -0.954085D-02 0.000000D+00
44 0.176914D-02 0.816634D-02 -0.278694D-02 0.139786D-02 0.000000D+00
45 0.206691D-02 0.954085D-02 0.139786D-02 -0.235028D-02 0.000000D+00
46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.398342D-02
47 -0.118613D-03 -0.322696D-02 -0.338603D-02 -0.267452D-02 0.000000D+00
48 0.000000D+00 -0.284433D-03 -0.177209D-03 -0.662057D-03 0.000000D+00
49 -0.284433D-03 -0.780938D-02 -0.253169D-02 -0.945847D-02 0.000000D+00
50 0.177209D-03 0.253169D-02 -0.148169D-02 0.293181D-02 0.000000D+00
51 0.662057D-03 0.945847D-02 0.293181D-02 0.868689D-02 0.000000D+00
52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.226643D-02
53 -0.774659D-03 -0.943074D-02 0.921419D-03 -0.895320D-02 0.000000D+00
54 -0.912423D-05 -0.761547D-03 -0.332000D-03 -0.116951D-02 0.000000D+00
55 0.000000D+00 -0.218995D-02 -0.338149D-02 0.655882D-03 0.000000D+00
56 -0.218995D-02 -0.173380D-01 -0.105230D-01 0.204107D-02 0.000000D+00
57 0.338149D-02 0.105230D-01 -0.920141D-02 0.102296D-02 0.000000D+00
58 -0.655882D-03 -0.204107D-02 0.102296D-02 -0.412579D-02 0.000000D+00
59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.392737D-02
60 -0.148846D-03 -0.367298D-02 -0.479643D-02 0.150514D-03 0.000000D+00
11 12 13 14 15
11 0.158911D+02
12 -0.858900D-01 0.472250D+00
13 0.000000D+00 0.000000D+00 0.147773D+01
14 0.000000D+00 0.000000D+00 0.000000D+00 0.147773D+01
15 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.147773D+01
16 -0.227595D-04 -0.840813D-02 -0.883233D-02 0.797177D-02 0.000000D+00
17 -0.840813D-02 0.406656D-01 0.103749D+00 -0.936408D-01 0.000000D+00
18 0.883233D-02 -0.103749D+00 -0.130849D+00 0.179218D+00 0.000000D+00
19 -0.797177D-02 0.936408D-01 0.179218D+00 -0.940403D-01 0.000000D+00
20 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.677157D-01
21 0.000000D+00 -0.218995D-02 -0.338149D-02 0.655882D-03 0.000000D+00
22 -0.218995D-02 -0.173380D-01 -0.105230D-01 0.204107D-02 0.000000D+00
23 0.338149D-02 0.105230D-01 -0.920141D-02 0.102296D-02 0.000000D+00
24 -0.655882D-03 -0.204107D-02 0.102296D-02 -0.412579D-02 0.000000D+00
25 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.392737D-02
26 -0.231041D-02 -0.149686D-01 0.233957D-03 -0.842199D-03 0.000000D+00
27 -0.108134D-01 0.104063D+00 -0.242076D+00 -0.829110D-01 0.000000D+00
28 -0.146844D-03 -0.364470D-02 -0.448342D-02 0.162474D-02 0.000000D+00
29 0.000000D+00 -0.176400D-02 -0.854183D-03 0.285583D-02 0.000000D+00
30 -0.176400D-02 -0.163251D-01 -0.346505D-02 0.115849D-01 0.000000D+00
31 0.854183D-03 0.346505D-02 -0.399364D-02 -0.629513D-04 0.000000D+00
32 -0.285583D-02 -0.115849D-01 -0.629513D-04 -0.380200D-02 0.000000D+00
33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.401247D-02
34 0.000000D+00 -0.117193D-04 -0.158506D-04 0.341396D-04 0.000000D+00
35 -0.117193D-04 -0.173220D-02 -0.119151D-02 0.256632D-02 0.000000D+00
36 0.158506D-04 0.119151D-02 0.339138D-03 -0.179388D-02 0.000000D+00
37 -0.341396D-04 -0.256632D-02 -0.179388D-02 0.336998D-02 0.000000D+00
38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.493738D-03
39 -0.676210D-05 -0.644303D-03 -0.660717D-03 0.809764D-03 0.000000D+00
40 -0.112952D-02 -0.116070D-01 0.124587D-02 0.920275D-02 0.000000D+00
41 -0.101894D-05 -0.224494D-03 -0.107469D-03 0.384472D-03 0.000000D+00
42 0.000000D+00 -0.865892D-05 -0.142229D-04 -0.245299D-04 0.000000D+00
43 -0.865892D-05 -0.149674D-02 -0.124708D-02 -0.215080D-02 0.000000D+00
44 0.142229D-04 0.124708D-02 0.629457D-03 0.181943D-02 0.000000D+00
45 0.245299D-04 0.215080D-02 0.181943D-02 0.271242D-02 0.000000D+00
46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.425488D-03
47 -0.100474D-05 -0.222745D-03 -0.256308D-03 -0.302328D-03 0.000000D+00
48 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
49 0.000000D+00 -0.257423D-03 -0.119170D-03 -0.490827D-03 0.000000D+00
50 0.000000D+00 0.119170D-03 -0.169247D-04 0.227269D-03 0.000000D+00
51 0.000000D+00 0.490827D-03 0.227269D-03 0.863950D-03 0.000000D+00
52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.721043D-04
53 -0.806862D-05 -0.711036D-03 0.810433D-05 -0.114259D-02 0.000000D+00
54 0.000000D+00 -0.131978D-04 -0.719205D-05 -0.276970D-04 0.000000D+00
55 0.000000D+00 -0.750905D-03 -0.147088D-02 -0.507229D-03 0.000000D+00
56 -0.750905D-03 -0.119107D-01 -0.118036D-01 -0.407046D-02 0.000000D+00
57 0.147088D-02 0.118036D-01 0.602961D-02 0.323031D-02 0.000000D+00
58 0.507229D-03 0.407046D-02 0.323031D-02 -0.222377D-02 0.000000D+00
59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.333773D-02
60 -0.274376D-04 -0.141045D-02 -0.199649D-02 -0.687166D-03 0.000000D+00
16 17 18 19 20
16 0.158911D+02
17 -0.858900D-01 0.472250D+00
18 0.000000D+00 0.000000D+00 0.147773D+01
19 0.000000D+00 0.000000D+00 0.000000D+00 0.147773D+01
20 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.147773D+01
21 -0.232366D-04 -0.841005D-02 -0.111645D-01 -0.409566D-02 0.000000D+00
22 -0.841005D-02 0.409090D-01 0.131635D+00 0.482899D-01 0.000000D+00
23 0.111645D-01 -0.131635D+00 -0.250513D+00 -0.116859D+00 0.000000D+00
24 0.409566D-02 -0.482899D-01 -0.116859D+00 0.251682D-01 0.000000D+00
25 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.680375D-01
26 -0.140143D-03 -0.354883D-02 0.221161D-02 -0.410885D-02 0.000000D+00
27 -0.227362D-02 -0.150130D-01 0.140658D-02 -0.400816D-03 0.000000D+00
28 -0.225906D-02 -0.150264D-01 -0.167965D-02 0.167975D-03 0.000000D+00
29 -0.639472D-05 -0.818780D-02 0.255601D-02 0.111637D-01 0.000000D+00
30 -0.818780D-02 0.274087D-01 -0.255160D-01 -0.111444D+00 0.000000D+00
31 -0.255601D-02 0.255160D-01 0.358542D-01 -0.650814D-01 0.000000D+00
32 -0.111637D-01 0.111444D+00 -0.650814D-01 -0.233495D+00 0.000000D+00
33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.507551D-01
34 0.000000D+00 -0.166553D-02 -0.607566D-03 0.279825D-02 0.000000D+00
35 -0.166553D-02 -0.160349D-01 -0.261548D-02 0.120461D-01 0.000000D+00
36 0.607566D-03 0.261548D-02 -0.394010D-02 -0.300531D-03 0.000000D+00
37 -0.279825D-02 -0.120461D-01 -0.300531D-03 -0.262121D-02 0.000000D+00
38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.400536D-02
39 -0.764644D-03 -0.936198D-02 -0.513083D-02 0.736548D-02 0.000000D+00
40 -0.223469D-02 -0.150435D-01 0.132276D-02 0.157339D-02 0.000000D+00
41 -0.107862D-03 -0.305706D-02 -0.228203D-03 0.411858D-02 0.000000D+00
42 0.000000D+00 0.000000D+00 0.000000D+00 -0.169480D-05 0.000000D+00
43 0.000000D+00 -0.356028D-03 -0.135885D-03 -0.666103D-03 0.000000D+00
44 0.000000D+00 0.135885D-03 -0.477854D-04 0.254864D-03 0.000000D+00
45 0.169480D-05 0.666103D-03 0.254864D-03 0.114956D-02 0.000000D+00
46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.997775D-04
47 0.000000D+00 -0.108323D-03 -0.811189D-04 -0.187083D-03 0.000000D+00
48 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
49 0.000000D+00 -0.151142D-04 0.000000D+00 -0.361015D-04 0.000000D+00
50 0.000000D+00 0.000000D+00 -0.429215D-05 0.000000D+00 0.000000D+00
51 0.000000D+00 0.361015D-04 0.000000D+00 0.813214D-04 0.000000D+00
52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.429215D-05
53 0.000000D+00 -0.359704D-04 0.150937D-04 -0.716287D-04 0.000000D+00
54 0.000000D+00 0.000000D+00 0.000000D+00 -0.181158D-05 0.000000D+00
55 0.000000D+00 -0.207836D-02 -0.216256D-02 -0.253185D-02 0.000000D+00
56 -0.207836D-02 -0.171083D-01 -0.723013D-02 -0.846479D-02 0.000000D+00
57 0.216256D-02 0.723013D-02 -0.561822D-02 -0.193279D-02 0.000000D+00
58 0.253185D-02 0.846479D-02 -0.193279D-02 -0.623018D-02 0.000000D+00
59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.396734D-02
60 -0.141418D-03 -0.356722D-02 -0.358108D-02 -0.302229D-02 0.000000D+00
21 22 23 24 25
21 0.158911D+02
22 -0.858900D-01 0.472250D+00
23 0.000000D+00 0.000000D+00 0.147773D+01
24 0.000000D+00 0.000000D+00 0.000000D+00 0.147773D+01
25 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.147773D+01
26 -0.263648D-04 -0.137921D-02 0.157078D-02 -0.134802D-02 0.000000D+00
27 -0.148846D-03 -0.367298D-02 0.479643D-02 -0.150514D-03 0.000000D+00
28 -0.107803D-01 0.104398D+00 0.196241D+00 -0.165198D+00 0.000000D+00
29 0.000000D+00 -0.155011D-02 0.176914D-02 0.206691D-02 0.000000D+00
30 -0.155011D-02 -0.156650D-01 0.816634D-02 0.954085D-02 0.000000D+00
31 -0.176914D-02 -0.816634D-02 -0.278694D-02 0.139786D-02 0.000000D+00
32 -0.206691D-02 -0.954085D-02 0.139786D-02 -0.235028D-02 0.000000D+00
33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.398342D-02
34 0.000000D+00 -0.284433D-03 0.177209D-03 0.662057D-03 0.000000D+00
35 -0.284433D-03 -0.780938D-02 0.253169D-02 0.945847D-02 0.000000D+00
36 -0.177209D-03 -0.253169D-02 -0.148169D-02 0.293181D-02 0.000000D+00
37 -0.662057D-03 -0.945847D-02 0.293181D-02 0.868689D-02 0.000000D+00
38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.226643D-02
39 -0.774659D-03 -0.943074D-02 -0.921419D-03 0.895320D-02 0.000000D+00
40 -0.118613D-03 -0.322696D-02 0.338603D-02 0.267452D-02 0.000000D+00
41 -0.912423D-05 -0.761547D-03 0.332000D-03 0.116951D-02 0.000000D+00
42 0.000000D+00 -0.997460D-05 0.390899D-05 -0.321353D-04 0.000000D+00
43 -0.997460D-05 -0.160257D-02 0.318954D-03 -0.262209D-02 0.000000D+00
44 -0.390899D-05 -0.318954D-03 -0.391650D-03 -0.530083D-03 0.000000D+00
45 0.321353D-04 0.262209D-02 -0.530083D-03 0.390162D-02 0.000000D+00
46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.456130D-03
47 -0.146749D-04 -0.993188D-03 -0.234793D-03 -0.152609D-02 0.000000D+00
48 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
49 0.000000D+00 -0.465786D-04 0.277015D-04 -0.999229D-04 0.000000D+00
50 0.000000D+00 -0.277015D-04 0.324579D-05 -0.590572D-04 0.000000D+00
51 0.000000D+00 0.999229D-04 -0.590572D-04 0.199900D-03 0.000000D+00
52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.131266D-04
53 0.000000D+00 -0.373799D-04 0.349508D-04 -0.673460D-04 0.000000D+00
54 0.000000D+00 -0.356259D-05 0.138713D-05 -0.819740D-05 0.000000D+00
55 -0.316386D-04 -0.842910D-02 -0.218069D-02 -0.115285D-01 0.000000D+00
56 -0.842910D-02 0.446427D-01 0.273460D-01 0.144568D+00 0.000000D+00
57 0.218069D-02 -0.273460D-01 0.599568D-01 -0.690643D-01 0.000000D+00
58 0.115285D-01 -0.144568D+00 -0.690643D-01 -0.292096D+00 0.000000D+00
59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.730208D-01
60 -0.230210D-02 -0.149800D-01 -0.605533D-03 -0.807565D-03 0.000000D+00
26 27 28 29 30
26 0.760032D+00
27 -0.107582D-01 0.760032D+00
28 -0.111249D-03 -0.562554D-03 0.760032D+00
29 0.000000D+00 -0.102169D-02 -0.842466D-03 0.158911D+02
30 -0.204322D-03 -0.109954D-01 -0.988467D-02 -0.858900D-01 0.472250D+00
31 0.101722D-03 0.605636D-02 -0.818956D-02 0.000000D+00 0.000000D+00
32 -0.351705D-03 -0.707379D-02 -0.405677D-02 0.000000D+00 0.000000D+00
33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
34 0.000000D+00 -0.150376D-04 -0.853458D-03 -0.784827D-04 -0.834196D-02
35 -0.362416D-05 -0.100685D-02 -0.995641D-02 -0.834196D-02 0.569576D-01
36 0.309656D-05 0.101614D-02 -0.536080D-02 0.662646D-02 -0.109958D+00
37 -0.786219D-05 -0.118773D-02 -0.742483D-02 -0.775709D-02 0.128720D+00
38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
39 -0.237542D-05 -0.224582D-03 -0.113861D-01 -0.235709D-02 -0.148900D-01
40 -0.231274D-03 -0.112515D-01 -0.153804D-02 -0.108692D-01 0.103490D+00
41 0.000000D+00 -0.236475D-03 -0.160231D-02 -0.239240D-02 -0.148134D-01
42 -0.842466D-03 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
43 -0.988467D-02 -0.178553D-03 -0.204322D-03 0.000000D+00 -0.155772D-05
44 0.818956D-02 0.202951D-03 -0.101722D-03 0.000000D+00 0.000000D+00
45 0.405677D-02 0.251804D-03 0.351705D-03 0.000000D+00 0.410132D-05
46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
47 -0.153804D-02 -0.198559D-04 -0.231274D-03 0.000000D+00 0.000000D+00
48 -0.853458D-03 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
49 -0.995641D-02 -0.516731D-04 -0.362416D-05 0.000000D+00 0.000000D+00
50 0.536080D-02 0.417397D-04 -0.309656D-05 0.000000D+00 0.000000D+00
51 0.742483D-02 0.937281D-04 0.786219D-05 0.000000D+00 0.000000D+00
52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
53 -0.113861D-01 -0.265929D-03 -0.237542D-05 0.000000D+00 0.000000D+00
54 -0.160231D-02 -0.271892D-05 0.000000D+00 0.000000D+00 0.000000D+00
55 -0.146844D-03 -0.274376D-04 -0.231041D-02 0.000000D+00 -0.865892D-05
56 -0.364470D-02 -0.141045D-02 -0.149686D-01 -0.865892D-05 -0.149674D-02
57 0.448342D-02 0.199649D-02 -0.233957D-03 0.142229D-04 0.124708D-02
58 -0.162474D-02 0.687166D-03 0.842199D-03 0.245299D-04 0.215080D-02
59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
60 -0.562554D-03 -0.113934D-03 -0.107582D-01 0.000000D+00 -0.178553D-03
31 32 33 34 35
31 0.147773D+01
32 0.000000D+00 0.147773D+01
33 0.000000D+00 0.000000D+00 0.147773D+01
34 -0.662646D-02 0.775709D-02 0.000000D+00 0.158911D+02
35 0.109958D+00 -0.128720D+00 0.000000D+00 -0.858900D-01 0.472250D+00
36 -0.921892D-01 0.213382D+00 0.000000D+00 0.000000D+00 0.000000D+00
37 0.213382D+00 -0.159699D+00 0.000000D+00 0.000000D+00 0.000000D+00
38 0.000000D+00 0.000000D+00 0.900914D-01 0.000000D+00 0.000000D+00
39 -0.809102D-04 0.360323D-04 0.000000D+00 -0.107289D-01 0.104911D+00
40 -0.249642D+00 -0.509837D-01 0.000000D+00 -0.244264D-02 -0.146788D-01
41 0.132741D-03 -0.517251D-03 0.000000D+00 -0.107361D-01 0.104839D+00
42 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
43 0.000000D+00 -0.410132D-05 0.000000D+00 0.000000D+00 0.000000D+00
44 0.000000D+00 0.225690D-05 0.000000D+00 0.000000D+00 0.000000D+00
45 0.225690D-05 0.102800D-04 0.000000D+00 0.000000D+00 0.000000D+00
46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
47 0.000000D+00 -0.150482D-05 0.000000D+00 0.000000D+00 0.000000D+00
48 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
49 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
50 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
51 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
53 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
54 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
55 -0.142229D-04 -0.245299D-04 0.000000D+00 0.000000D+00 0.000000D+00
56 -0.124708D-02 -0.215080D-02 0.000000D+00 0.000000D+00 -0.257423D-03
57 0.629457D-03 0.181943D-02 0.000000D+00 0.000000D+00 0.119170D-03
58 0.181943D-02 0.271242D-02 0.000000D+00 0.000000D+00 0.490827D-03
59 0.000000D+00 0.000000D+00 -0.425488D-03 0.000000D+00 0.000000D+00
60 -0.202951D-03 -0.251804D-03 0.000000D+00 0.000000D+00 -0.516731D-04
36 37 38 39 40
36 0.147773D+01
37 0.000000D+00 0.147773D+01
38 0.000000D+00 0.000000D+00 0.147773D+01
39 0.255073D+00 0.351825D-01 0.000000D+00 0.760032D+00
40 -0.134976D-02 0.554706D-03 0.000000D+00 -0.575575D-02 0.760032D+00
41 -0.806857D-01 -0.244377D+00 0.000000D+00 -0.773243D-02 -0.109613D-01
42 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
43 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
44 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
45 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.150482D-05
46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
47 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
48 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
49 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
50 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
51 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
53 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
54 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
55 0.000000D+00 0.000000D+00 0.000000D+00 -0.806862D-05 -0.100474D-05
56 -0.119170D-03 -0.490827D-03 0.000000D+00 -0.711036D-03 -0.222745D-03
57 -0.169247D-04 0.227269D-03 0.000000D+00 -0.810433D-05 0.256308D-03
58 0.227269D-03 0.863950D-03 0.000000D+00 0.114259D-02 0.302328D-03
59 0.000000D+00 0.000000D+00 -0.721043D-04 0.000000D+00 0.000000D+00
60 -0.417397D-04 -0.937281D-04 0.000000D+00 -0.265929D-03 -0.198559D-04
41 42 43 44 45
41 0.760032D+00
42 0.000000D+00 0.158911D+02
43 0.000000D+00 -0.858900D-01 0.472250D+00
44 0.000000D+00 0.000000D+00 0.000000D+00 0.147773D+01
45 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.147773D+01
46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
47 0.000000D+00 -0.108692D-01 0.103490D+00 0.249642D+00 0.509837D-01
48 0.000000D+00 -0.784827D-04 -0.834196D-02 0.662646D-02 -0.775709D-02
49 0.000000D+00 -0.834196D-02 0.569576D-01 -0.109958D+00 0.128720D+00
50 0.000000D+00 -0.662646D-02 0.109958D+00 -0.921892D-01 0.213382D+00
51 0.000000D+00 0.775709D-02 -0.128720D+00 0.213382D+00 -0.159699D+00
52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
53 0.000000D+00 -0.235709D-02 -0.148900D-01 0.809102D-04 -0.360323D-04
54 0.000000D+00 -0.239240D-02 -0.148134D-01 -0.132741D-03 0.517251D-03
55 0.000000D+00 0.000000D+00 -0.176400D-02 -0.854183D-03 0.285583D-02
56 -0.131978D-04 -0.176400D-02 -0.163251D-01 -0.346505D-02 0.115849D-01
57 0.719205D-05 0.854183D-03 0.346505D-02 -0.399364D-02 -0.629513D-04
58 0.276970D-04 -0.285583D-02 -0.115849D-01 -0.629513D-04 -0.380200D-02
59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
60 -0.271892D-05 -0.102169D-02 -0.109954D-01 -0.605636D-02 0.707379D-02
46 47 48 49 50
46 0.147773D+01
47 0.000000D+00 0.760032D+00
48 0.000000D+00 -0.244264D-02 0.158911D+02
49 0.000000D+00 -0.146788D-01 -0.858900D-01 0.472250D+00
50 0.000000D+00 0.134976D-02 0.000000D+00 0.000000D+00 0.147773D+01
51 0.000000D+00 -0.554706D-03 0.000000D+00 0.000000D+00 0.000000D+00
52 0.900914D-01 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
53 0.000000D+00 -0.575575D-02 -0.107289D-01 0.104911D+00 -0.255073D+00
54 0.000000D+00 -0.109613D-01 -0.107361D-01 0.104839D+00 0.806857D-01
55 0.000000D+00 -0.112952D-02 0.000000D+00 -0.117193D-04 -0.158506D-04
56 0.000000D+00 -0.116070D-01 -0.117193D-04 -0.173220D-02 -0.119151D-02
57 0.000000D+00 -0.124587D-02 0.158506D-04 0.119151D-02 0.339138D-03
58 0.000000D+00 -0.920275D-02 -0.341396D-04 -0.256632D-02 -0.179388D-02
59 -0.401247D-02 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
60 0.000000D+00 -0.112515D-01 -0.150376D-04 -0.100685D-02 -0.101614D-02
51 52 53 54 55
51 0.147773D+01
52 0.000000D+00 0.147773D+01
53 -0.351825D-01 0.000000D+00 0.760032D+00
54 0.244377D+00 0.000000D+00 -0.773243D-02 0.760032D+00
55 0.341396D-04 0.000000D+00 -0.676210D-05 -0.101894D-05 0.158911D+02
56 0.256632D-02 0.000000D+00 -0.644303D-03 -0.224494D-03 -0.858900D-01
57 -0.179388D-02 0.000000D+00 0.660717D-03 0.107469D-03 0.000000D+00
58 0.336998D-02 0.000000D+00 -0.809764D-03 -0.384472D-03 0.000000D+00
59 0.000000D+00 -0.493738D-03 0.000000D+00 0.000000D+00 0.000000D+00
60 0.118773D-02 0.000000D+00 -0.224582D-03 -0.236475D-03 -0.108134D-01
56 57 58 59 60
56 0.472250D+00
57 0.000000D+00 0.147773D+01
58 0.000000D+00 0.000000D+00 0.147773D+01
59 0.000000D+00 0.000000D+00 0.000000D+00 0.147773D+01
60 0.104063D+00 0.242076D+00 0.829110D-01 0.000000D+00 0.760032D+00
Entering OneElI...
Calculate potential energy integrals
NBasis = 60 MinDer = 0 MaxDer = 0
Requested accuracy = 0.1000D-12
Symmetry will be used
PrmmSu-InSpLW: IPartL= 0 NPrtUS= 1 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 0 NThAct= 1.
PrsmSu: NPrtUS= 1 ThrOK=F IAlg=1 NPAlg=1 LenDen= 0 ISkipM=0 DoSpLW=F IThBeg= 0 IThEnd= 0.
Prism: IPart= 0 DynPar=F LinDyn=F Incr= 83.
PRISM was handed 52371657 working-precision words and 418 shell-pairs
IPart= 0 NShTot= 4280 NBatch= 214 AvBLen= 20.0
PrSmSu: NxtVal= 84.
***** Potential Energy *****
1 2 3 4 5
1 0.481639D+02
2 0.779625D+01 0.196675D+02
3 -0.140156D-01 -0.162229D+00 0.198057D+02
4 -0.471897D-01 -0.541720D+00 0.201595D-01 0.199905D+02
5 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.190655D+02
6 0.120990D-04 0.110706D+01 -0.172429D+01 -0.635132D+00 0.000000D+00
7 0.113138D+01 0.681828D+01 -0.684565D+01 -0.270924D+01 0.000000D+00
8 0.176353D+01 0.709761D+01 -0.533880D+01 -0.351297D+01 0.000000D+00
9 0.645486D+00 0.238241D+01 -0.309440D+01 0.257452D+01 0.000000D+00
10 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.361473D+01
11 0.000000D+00 0.480775D-01 -0.737230D-01 -0.864220D-01 0.000000D+00
12 0.492767D-01 0.107622D+01 -0.104538D+01 -0.121716D+01 0.000000D+00
13 0.756469D-01 0.104555D+01 -0.677751D+00 -0.129733D+01 0.000000D+00
14 0.885272D-01 0.122837D+01 -0.130932D+01 -0.108339D+01 0.000000D+00
15 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.400883D+00
16 0.000000D+00 0.906390D-02 -0.469124D-02 -0.245565D-01 0.000000D+00
17 0.906390D-02 0.408843D+00 -0.125969D+00 -0.658971D+00 0.000000D+00
18 0.469124D-02 0.125969D+00 0.117463D+00 -0.218415D+00 0.000000D+00
19 0.245565D-01 0.658971D+00 -0.218415D+00 -0.982476D+00 0.000000D+00
20 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.140890D+00
21 0.000000D+00 0.469350D-01 0.358504D-01 -0.105281D+00 0.000000D+00
22 0.479443D-01 0.105812D+01 0.512811D+00 -0.149556D+01 0.000000D+00
23 -0.367270D-01 -0.511755D+00 0.156822D+00 0.793568D+00 0.000000D+00
24 0.107527D+00 0.150331D+01 0.800120D+00 -0.189786D+01 0.000000D+00
25 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.393489D+00
26 0.158723D+00 0.162464D+01 -0.205472D+01 0.123104D+00 0.000000D+00
27 0.245493D-02 0.110095D+00 -0.138702D+00 -0.119302D+00 0.000000D+00
28 0.242614D-02 0.109131D+00 0.843185D-01 -0.160839D+00 0.000000D+00
29 0.000000D+00 0.215051D-05 -0.179448D-05 -0.880772D-05 0.000000D+00
30 0.233137D-05 0.490360D-02 -0.217590D-02 -0.106986D-01 0.000000D+00
31 0.194668D-05 0.217324D-02 0.580931D-03 -0.480966D-02 0.000000D+00
32 0.954381D-05 0.106160D-01 -0.477776D-02 -0.219051D-01 0.000000D+00
33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.137526D-02
34 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
35 0.000000D+00 0.132343D-03 -0.219438D-05 -0.348429D-03 0.000000D+00
36 0.000000D+00 -0.222256D-05 0.407052D-04 0.716209D-05 0.000000D+00
37 0.000000D+00 0.353494D-03 -0.456556D-05 -0.893405D-03 0.000000D+00
38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.358717D-04
39 0.000000D+00 0.429207D-03 0.193954D-03 -0.957686D-03 0.000000D+00
40 0.197132D-05 0.153794D-02 -0.130735D-02 -0.304030D-02 0.000000D+00
41 0.000000D+00 0.565333D-05 0.000000D+00 -0.153381D-04 0.000000D+00
42 0.275442D-05 0.871259D+00 0.323696D+00 0.141804D+01 0.000000D+00
43 0.933055D+00 0.574644D+01 0.136316D+01 0.612835D+01 0.000000D+00
44 -0.347832D+00 -0.152584D+01 0.257200D+01 -0.202373D+01 0.000000D+00
45 -0.151873D+01 -0.640703D+01 -0.191735D+01 -0.543702D+01 0.000000D+00
46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.294751D+01
47 0.154092D+00 0.151306D+01 0.118827D+01 0.148098D+01 0.000000D+00
48 0.000000D+00 0.309872D-01 -0.160508D-01 0.740313D-01 0.000000D+00
49 0.354004D-01 0.793682D+00 -0.231453D+00 0.117062D+01 0.000000D+00
50 0.183511D-01 0.286324D+00 0.216217D+00 0.458390D+00 0.000000D+00
51 -0.845981D-01 -0.119725D+01 0.385479D+00 -0.160622D+01 0.000000D+00
52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.289245D+00
53 0.226709D-01 0.393227D+00 -0.318001D+00 0.471392D+00 0.000000D+00
54 0.174386D-02 0.794177D-01 -0.651876D-02 0.132535D+00 0.000000D+00
55 0.117649D-04 0.109968D+01 0.135330D+01 -0.122502D+01 0.000000D+00
56 0.112737D+01 0.677083D+01 0.528005D+01 -0.504840D+01 0.000000D+00
57 -0.139026D+01 -0.568099D+01 -0.193961D+01 0.531653D+01 0.000000D+00
58 0.125273D+01 0.481347D+01 0.484556D+01 -0.814130D+00 0.000000D+00
59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.358765D+01
60 0.161114D+00 0.162198D+01 0.194073D+01 -0.647143D+00 0.000000D+00
6 7 8 9 10
6 0.474099D+02
7 0.760900D+01 0.189069D+02
8 0.891178D-01 0.104080D+01 0.190331D+02
9 -0.504386D-01 -0.585995D+00 0.136832D+00 0.191746D+02
10 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.183768D+02
11 0.166106D-04 0.115336D+01 -0.352342D+00 -0.188078D+01 0.000000D+00
12 0.115697D+01 0.681282D+01 -0.104256D+01 -0.728314D+01 0.000000D+00
13 0.359989D+00 0.169421D+01 0.341457D+01 -0.220283D+01 0.000000D+00
14 0.188543D+01 0.717774D+01 -0.150634D+01 -0.602582D+01 0.000000D+00
15 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.364546D+01
16 0.000000D+00 0.479443D-01 0.367270D-01 -0.107527D+00 0.000000D+00
17 0.469350D-01 0.105812D+01 0.511755D+00 -0.150331D+01 0.000000D+00
18 -0.358504D-01 -0.512811D+00 0.156822D+00 0.800120D+00 0.000000D+00
19 0.105281D+00 0.149556D+01 0.793568D+00 -0.189786D+01 0.000000D+00
20 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.393489D+00
21 0.000000D+00 0.113382D-01 0.231899D-01 -0.200580D-01 0.000000D+00
22 0.113382D-01 0.467925D+00 0.573835D+00 -0.495802D+00 0.000000D+00
23 -0.231899D-01 -0.573835D+00 -0.575802D+00 0.656665D+00 0.000000D+00
24 0.200580D-01 0.495802D+00 0.656665D+00 -0.381194D+00 0.000000D+00
25 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.162887D+00
26 0.188332D+01 0.801212D+01 -0.530577D+01 0.461671D+01 0.000000D+00
27 0.161990D+00 0.160228D+01 -0.110885D+01 -0.169978D+01 0.000000D+00
28 0.323455D-03 0.324208D-01 0.445563D-01 -0.383051D-01 0.000000D+00
29 0.000000D+00 0.661635D-04 0.293800D-04 -0.240449D-03 0.000000D+00
30 0.701211D-04 0.293677D-01 0.788442D-02 -0.575848D-01 0.000000D+00
31 -0.308445D-04 -0.612648D-02 0.760654D-02 0.120552D-01 0.000000D+00
32 0.254709D-03 0.584146D-01 0.156946D-01 -0.108351D+00 0.000000D+00
33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.848488D-02
34 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
35 0.000000D+00 0.464631D-03 0.318062D-03 -0.111102D-02 0.000000D+00
36 0.000000D+00 -0.303817D-03 -0.735479D-04 0.729624D-03 0.000000D+00
37 0.000000D+00 0.113195D-02 0.777173D-03 -0.257632D-02 0.000000D+00
38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.125786D-03
39 0.000000D+00 0.457039D-03 0.479207D-03 -0.924517D-03 0.000000D+00
40 0.163031D-03 0.200754D-01 -0.445398D-02 -0.364161D-01 0.000000D+00
41 0.000000D+00 0.314409D-04 0.146105D-04 -0.786490D-04 0.000000D+00
42 0.000000D+00 0.299324D-01 0.480528D-01 0.561330D-01 0.000000D+00
43 0.313887D-01 0.787008D+00 0.817084D+00 0.882098D+00 0.000000D+00
44 -0.503289D-01 -0.756868D+00 -0.550106D+00 -0.929329D+00 0.000000D+00
45 -0.589257D-01 -0.950157D+00 -0.106498D+01 -0.844405D+00 0.000000D+00
46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.286182D+00
47 0.192825D-02 0.931056D-01 0.124761D+00 0.938542D-01 0.000000D+00
48 0.000000D+00 0.308229D-02 0.236362D-02 0.880293D-02 0.000000D+00
49 0.345098D-02 0.202301D+00 0.101599D+00 0.328426D+00 0.000000D+00
50 -0.262887D-02 -0.779697D-01 0.322198D-01 -0.135469D+00 0.000000D+00
51 -0.985897D-02 -0.341934D+00 -0.180440D+00 -0.513755D+00 0.000000D+00
52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.681446D-01
53 0.224876D-01 0.365744D+00 -0.313071D-01 0.526704D+00 0.000000D+00
54 0.937965D-04 0.127640D-01 0.741191D-02 0.229018D-01 0.000000D+00
55 0.000000D+00 0.520538D-01 0.119707D+00 -0.232628D-01 0.000000D+00
56 0.522293D-01 0.113232D+01 0.165439D+01 -0.307307D+00 0.000000D+00
57 -0.120124D+00 -0.165094D+01 -0.219027D+01 0.495544D+00 0.000000D+00
58 0.232642D-01 0.333382D+00 0.534502D+00 0.369568D+00 0.000000D+00
59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.423625D+00
60 0.256411D-02 0.116495D+00 0.193307D+00 -0.615787D-02 0.000000D+00
11 12 13 14 15
11 0.473013D+02
12 0.758202D+01 0.187985D+02
13 0.105001D+00 0.122525D+01 0.188489D+02
14 0.202397D-01 0.233575D+00 -0.701674D-01 0.191374D+02
15 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.182728D+02
16 0.117649D-04 0.112737D+01 0.139026D+01 -0.125273D+01 0.000000D+00
17 0.109968D+01 0.677083D+01 0.568099D+01 -0.481347D+01 0.000000D+00
18 -0.135330D+01 -0.528005D+01 -0.193961D+01 0.484556D+01 0.000000D+00
19 0.122502D+01 0.504840D+01 0.531653D+01 -0.814130D+00 0.000000D+00
20 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.358765D+01
21 0.000000D+00 0.522293D-01 0.120124D+00 -0.232642D-01 0.000000D+00
22 0.520538D-01 0.113232D+01 0.165094D+01 -0.333382D+00 0.000000D+00
23 -0.119707D+00 -0.165439D+01 -0.219027D+01 0.534502D+00 0.000000D+00
24 0.232628D-01 0.307307D+00 0.495544D+00 0.369568D+00 0.000000D+00
25 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.423625D+00
26 0.162893D+00 0.161633D+01 -0.416576D+00 0.200882D+01 0.000000D+00
27 0.187146D+01 0.790439D+01 -0.650440D+01 -0.231765D+01 0.000000D+00
28 0.251270D-02 0.115523D+00 0.180755D+00 -0.654490D-01 0.000000D+00
29 0.000000D+00 0.358484D-01 0.249763D-01 -0.832549D-01 0.000000D+00
30 0.375667D-01 0.857040D+00 0.428908D+00 -0.122047D+01 0.000000D+00
31 -0.259972D-01 -0.318669D+00 0.162077D+00 0.504069D+00 0.000000D+00
32 0.872831D-01 0.127075D+01 0.683519D+00 -0.163011D+01 0.000000D+00
33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.315994D+00
34 0.000000D+00 0.743991D-04 0.113784D-03 -0.245076D-03 0.000000D+00
35 0.833186D-04 0.304890D-01 0.261368D-01 -0.539763D-01 0.000000D+00
36 -0.127156D-03 -0.248123D-01 -0.126740D-01 0.454598D-01 0.000000D+00
37 0.274477D-03 0.553699D-01 0.489722D-01 -0.906377D-01 0.000000D+00
38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.884862D-02
39 0.671876D-04 0.121369D-01 0.146823D-01 -0.176002D-01 0.000000D+00
40 0.400633D-01 0.567731D+00 -0.603444D-01 -0.793438D+00 0.000000D+00
41 0.801685D-05 0.319167D-02 0.193242D-02 -0.624931D-02 0.000000D+00
42 0.000000D+00 0.566409D-04 0.104730D-03 0.180627D-03 0.000000D+00
43 0.596525D-04 0.272507D-01 0.277947D-01 0.466442D-01 0.000000D+00
44 -0.110152D-03 -0.268174D-01 -0.192585D-01 -0.469652D-01 0.000000D+00
45 -0.190201D-03 -0.476945D-01 -0.496681D-01 -0.753520D-01 0.000000D+00
46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.785081D-02
47 0.798207D-05 0.359192D-02 0.479932D-02 0.561606D-02 0.000000D+00
48 0.000000D+00 0.000000D+00 0.000000D+00 0.402668D-05 0.000000D+00
49 0.109811D-05 0.296787D-02 0.171735D-02 0.638227D-02 0.000000D+00
50 -0.110592D-05 -0.145599D-02 0.766840D-04 -0.314991D-02 0.000000D+00
51 -0.456758D-05 -0.669379D-02 -0.388982D-02 -0.136108D-01 0.000000D+00
52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.841653D-03
53 0.817672D-04 0.124547D-01 0.743185D-03 0.231500D-01 0.000000D+00
54 0.000000D+00 0.123621D-03 0.812870D-04 0.282285D-03 0.000000D+00
55 0.000000D+00 0.118641D-01 0.302080D-01 0.104215D-01 0.000000D+00
56 0.118641D-01 0.480665D+00 0.734654D+00 0.253112D+00 0.000000D+00
57 -0.302080D-01 -0.734654D+00 -0.102362D+01 -0.417685D+00 0.000000D+00
58 -0.104215D-01 -0.253112D+00 -0.417685D+00 0.473946D-01 0.000000D+00
59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.167669D+00
60 0.337813D-03 0.333331D-01 0.569848D-01 0.196613D-01 0.000000D+00
16 17 18 19 20
16 0.481639D+02
17 0.779625D+01 0.196675D+02
18 0.140156D-01 0.162229D+00 0.198057D+02
19 0.471897D-01 0.541720D+00 0.201595D-01 0.199905D+02
20 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.190655D+02
21 0.120990D-04 0.110706D+01 0.172429D+01 0.635132D+00 0.000000D+00
22 0.113138D+01 0.681828D+01 0.684565D+01 0.270924D+01 0.000000D+00
23 -0.176353D+01 -0.709761D+01 -0.533880D+01 -0.351297D+01 0.000000D+00
24 -0.645486D+00 -0.238241D+01 -0.309440D+01 0.257452D+01 0.000000D+00
25 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.361473D+01
26 0.242614D-02 0.109131D+00 -0.843185D-01 0.160839D+00 0.000000D+00
27 0.161114D+00 0.162198D+01 -0.194073D+01 0.647143D+00 0.000000D+00
28 0.158723D+00 0.162464D+01 0.205472D+01 -0.123104D+00 0.000000D+00
29 0.275442D-05 0.871259D+00 -0.323696D+00 -0.141804D+01 0.000000D+00
30 0.933055D+00 0.574644D+01 -0.136316D+01 -0.612835D+01 0.000000D+00
31 0.347832D+00 0.152584D+01 0.257200D+01 -0.202373D+01 0.000000D+00
32 0.151873D+01 0.640703D+01 -0.191735D+01 -0.543702D+01 0.000000D+00
33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.294751D+01
34 0.000000D+00 0.309872D-01 0.160508D-01 -0.740313D-01 0.000000D+00
35 0.354004D-01 0.793682D+00 0.231453D+00 -0.117062D+01 0.000000D+00
36 -0.183511D-01 -0.286324D+00 0.216217D+00 0.458390D+00 0.000000D+00
37 0.845981D-01 0.119725D+01 0.385479D+00 -0.160622D+01 0.000000D+00
38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.289245D+00
39 0.226709D-01 0.393227D+00 0.318001D+00 -0.471392D+00 0.000000D+00
40 0.154092D+00 0.151306D+01 -0.118827D+01 -0.148098D+01 0.000000D+00
41 0.174386D-02 0.794177D-01 0.651876D-02 -0.132535D+00 0.000000D+00
42 0.000000D+00 0.215051D-05 0.179448D-05 0.880772D-05 0.000000D+00
43 0.233137D-05 0.490360D-02 0.217590D-02 0.106986D-01 0.000000D+00
44 -0.194668D-05 -0.217324D-02 0.580931D-03 -0.480966D-02 0.000000D+00
45 -0.954381D-05 -0.106160D-01 -0.477776D-02 -0.219051D-01 0.000000D+00
46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.137526D-02
47 0.197132D-05 0.153794D-02 0.130735D-02 0.304030D-02 0.000000D+00
48 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
49 0.000000D+00 0.132343D-03 0.219438D-05 0.348429D-03 0.000000D+00
50 0.000000D+00 0.222256D-05 0.407052D-04 0.716209D-05 0.000000D+00
51 0.000000D+00 -0.353494D-03 -0.456556D-05 -0.893405D-03 0.000000D+00
52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.358717D-04
53 0.000000D+00 0.429207D-03 -0.193954D-03 0.957686D-03 0.000000D+00
54 0.000000D+00 0.565333D-05 0.000000D+00 0.153381D-04 0.000000D+00
55 0.000000D+00 0.480775D-01 0.737230D-01 0.864220D-01 0.000000D+00
56 0.492767D-01 0.107622D+01 0.104538D+01 0.121716D+01 0.000000D+00
57 -0.756469D-01 -0.104555D+01 -0.677751D+00 -0.129733D+01 0.000000D+00
58 -0.885272D-01 -0.122837D+01 -0.130932D+01 -0.108339D+01 0.000000D+00
59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.400883D+00
60 0.245493D-02 0.110095D+00 0.138702D+00 0.119302D+00 0.000000D+00
21 22 23 24 25
21 0.474099D+02
22 0.760900D+01 0.189069D+02
23 -0.891178D-01 -0.104080D+01 0.190331D+02
24 0.504386D-01 0.585995D+00 0.136832D+00 0.191746D+02
25 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.183768D+02
26 0.323455D-03 0.324208D-01 -0.445563D-01 0.383051D-01 0.000000D+00
27 0.256411D-02 0.116495D+00 -0.193307D+00 0.615787D-02 0.000000D+00
28 0.188332D+01 0.801212D+01 0.530577D+01 -0.461671D+01 0.000000D+00
29 0.000000D+00 0.299324D-01 -0.480528D-01 -0.561330D-01 0.000000D+00
30 0.313887D-01 0.787008D+00 -0.817084D+00 -0.882098D+00 0.000000D+00
31 0.503289D-01 0.756868D+00 -0.550106D+00 -0.929329D+00 0.000000D+00
32 0.589257D-01 0.950157D+00 -0.106498D+01 -0.844405D+00 0.000000D+00
33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.286182D+00
34 0.000000D+00 0.308229D-02 -0.236362D-02 -0.880293D-02 0.000000D+00
35 0.345098D-02 0.202301D+00 -0.101599D+00 -0.328426D+00 0.000000D+00
36 0.262887D-02 0.779697D-01 0.322198D-01 -0.135469D+00 0.000000D+00
37 0.985897D-02 0.341934D+00 -0.180440D+00 -0.513755D+00 0.000000D+00
38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.681446D-01
39 0.224876D-01 0.365744D+00 0.313071D-01 -0.526704D+00 0.000000D+00
40 0.192825D-02 0.931056D-01 -0.124761D+00 -0.938542D-01 0.000000D+00
41 0.937965D-04 0.127640D-01 -0.741191D-02 -0.229018D-01 0.000000D+00
42 0.000000D+00 0.661635D-04 -0.293800D-04 0.240449D-03 0.000000D+00
43 0.701211D-04 0.293677D-01 -0.788442D-02 0.575848D-01 0.000000D+00
44 0.308445D-04 0.612648D-02 0.760654D-02 0.120552D-01 0.000000D+00
45 -0.254709D-03 -0.584146D-01 0.156946D-01 -0.108351D+00 0.000000D+00
46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.848488D-02
47 0.163031D-03 0.200754D-01 0.445398D-02 0.364161D-01 0.000000D+00
48 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
49 0.000000D+00 0.464631D-03 -0.318062D-03 0.111102D-02 0.000000D+00
50 0.000000D+00 0.303817D-03 -0.735479D-04 0.729624D-03 0.000000D+00
51 0.000000D+00 -0.113195D-02 0.777173D-03 -0.257632D-02 0.000000D+00
52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.125786D-03
53 0.000000D+00 0.457039D-03 -0.479207D-03 0.924517D-03 0.000000D+00
54 0.000000D+00 0.314409D-04 -0.146105D-04 0.786490D-04 0.000000D+00
55 0.166106D-04 0.115336D+01 0.352342D+00 0.188078D+01 0.000000D+00
56 0.115697D+01 0.681282D+01 0.104256D+01 0.728314D+01 0.000000D+00
57 -0.359989D+00 -0.169421D+01 0.341457D+01 -0.220283D+01 0.000000D+00
58 -0.188543D+01 -0.717774D+01 -0.150634D+01 -0.602582D+01 0.000000D+00
59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.364546D+01
60 0.161990D+00 0.160228D+01 0.110885D+01 0.169978D+01 0.000000D+00
26 27 28 29 30
26 0.143503D+02
27 0.734602D+00 0.140618D+02
28 0.193633D-02 0.131049D-01 0.143503D+02
29 0.634088D-05 0.326160D-01 0.244263D-01 0.458425D+02
30 0.304324D-02 0.504205D+00 0.433391D+00 0.721971D+01 0.173387D+02
31 -0.158331D-02 -0.436910D+00 0.556322D+00 0.568891D-01 0.659435D+00
32 0.613538D-02 0.578595D+00 0.304950D+00 0.580288D-01 0.694994D+00
33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
34 0.000000D+00 0.148938D-03 0.231808D-01 0.405596D-04 0.118364D+01
35 0.321765D-04 0.189934D-01 0.383957D+00 0.125866D+01 0.643763D+01
36 -0.290186D-04 -0.219052D-01 0.306350D+00 -0.135466D+01 -0.439196D+01
37 0.776715D-04 0.273577D-01 0.475156D+00 0.159064D+01 0.545573D+01
38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
39 0.250376D-04 0.400822D-02 0.110510D+01 0.163312D+00 0.154750D+01
40 0.384469D-02 0.818103D+00 0.403397D-01 0.177901D+01 0.739745D+01
41 0.280308D-05 0.365159D-02 0.352031D-01 0.168621D+00 0.148403D+01
42 0.244263D-01 0.488099D-05 0.634088D-05 0.000000D+00 0.000000D+00
43 0.433391D+00 0.264402D-02 0.304324D-02 0.000000D+00 0.107838D-04
44 -0.556322D+00 -0.337356D-02 0.158331D-02 0.000000D+00 -0.650040D-05
45 -0.304950D+00 -0.439917D-02 -0.613538D-02 0.000000D+00 -0.309029D-04
46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
47 0.403397D-01 0.265126D-03 0.384469D-02 0.000000D+00 0.496058D-05
48 0.231808D-01 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
49 0.383957D+00 0.538538D-03 0.321765D-04 0.000000D+00 0.000000D+00
50 -0.306350D+00 -0.458040D-03 0.290186D-04 0.000000D+00 0.000000D+00
51 -0.475156D+00 -0.113905D-02 -0.776715D-04 0.000000D+00 0.000000D+00
52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
53 0.110510D+01 0.407464D-02 0.250376D-04 0.000000D+00 0.145876D-05
54 0.352031D-01 0.232668D-04 0.280308D-05 0.000000D+00 0.000000D+00
55 0.251270D-02 0.337813D-03 0.162893D+00 0.000000D+00 0.596525D-04
56 0.115523D+00 0.333331D-01 0.161633D+01 0.566409D-04 0.272507D-01
57 -0.180755D+00 -0.569848D-01 0.416576D+00 -0.104730D-03 -0.277947D-01
58 0.654490D-01 -0.196613D-01 -0.200882D+01 -0.180627D-03 -0.466442D-01
59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
60 0.131049D-01 0.199057D-02 0.734602D+00 0.488099D-05 0.264402D-02
31 32 33 34 35
31 0.172871D+02
32 -0.121206D+00 0.177329D+02
33 0.000000D+00 0.000000D+00 0.168603D+02
34 0.127752D+01 -0.149301D+01 0.000000D+00 0.438857D+02
35 0.448122D+01 -0.488627D+01 0.000000D+00 0.673370D+01 0.153763D+02
36 -0.375328D+00 0.437082D+01 0.000000D+00 -0.395101D-01 -0.453366D+00
37 0.482163D+01 -0.172318D+01 0.000000D+00 0.101798D+00 0.117958D+01
38 0.000000D+00 0.000000D+00 0.351769D+01 0.000000D+00 0.000000D+00
39 0.177776D+01 -0.784381D+00 0.000000D+00 0.168229D+01 0.680358D+01
40 -0.646618D+01 -0.108506D+01 0.000000D+00 0.166912D+00 0.158277D+01
41 0.549555D+00 -0.174937D+01 0.000000D+00 0.167499D+01 0.644069D+01
42 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
43 0.650040D-05 0.309029D-04 0.000000D+00 0.000000D+00 0.000000D+00
44 0.000000D+00 -0.186359D-04 0.000000D+00 0.000000D+00 0.000000D+00
45 -0.186359D-04 -0.851248D-04 0.000000D+00 0.000000D+00 0.000000D+00
46 0.000000D+00 0.000000D+00 0.300699D-05 0.000000D+00 0.000000D+00
47 0.489183D-05 0.127331D-04 0.000000D+00 0.000000D+00 0.000000D+00
48 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
49 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
50 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
51 0.000000D+00 -0.129066D-05 0.000000D+00 0.000000D+00 0.000000D+00
52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
53 0.000000D+00 0.415457D-05 0.000000D+00 0.000000D+00 0.000000D+00
54 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
55 0.110152D-03 0.190201D-03 0.000000D+00 0.000000D+00 0.109811D-05
56 0.268174D-01 0.476945D-01 0.000000D+00 0.000000D+00 0.296787D-02
57 -0.192585D-01 -0.496681D-01 0.000000D+00 0.000000D+00 -0.171735D-02
58 -0.469652D-01 -0.753520D-01 0.000000D+00 -0.402668D-05 -0.638227D-02
59 0.000000D+00 0.000000D+00 0.785081D-02 0.000000D+00 0.000000D+00
60 0.337356D-02 0.439917D-02 0.000000D+00 0.000000D+00 0.538538D-03
36 37 38 39 40
36 0.153871D+02
37 -0.205183D+00 0.156039D+02
38 0.000000D+00 0.000000D+00 0.150069D+02
39 0.605470D+01 0.127322D+01 0.000000D+00 0.125858D+02
40 -0.181193D+01 0.902555D+00 0.000000D+00 0.222126D+00 0.133300D+02
41 -0.197443D+01 -0.525997D+01 0.000000D+00 0.187703D+01 0.690835D+00
42 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
43 0.000000D+00 0.000000D+00 0.000000D+00 0.145876D-05 0.496058D-05
44 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.489183D-05
45 0.000000D+00 -0.129066D-05 0.000000D+00 -0.415457D-05 -0.127331D-04
46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
47 0.000000D+00 0.000000D+00 0.000000D+00 0.247359D-05 0.120394D-05
48 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
49 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
50 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
51 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
53 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.247359D-05
54 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
55 0.110592D-05 0.456758D-05 0.000000D+00 0.817672D-04 0.798207D-05
56 0.145599D-02 0.669379D-02 0.000000D+00 0.124547D-01 0.359192D-02
57 0.766840D-04 -0.388982D-02 0.000000D+00 -0.743185D-03 -0.479932D-02
58 -0.314991D-02 -0.136108D-01 0.000000D+00 -0.231500D-01 -0.561606D-02
59 0.000000D+00 0.000000D+00 0.841653D-03 0.000000D+00 0.000000D+00
60 0.458040D-03 0.113905D-02 0.000000D+00 0.407464D-02 0.265126D-03
41 42 43 44 45
41 0.113577D+02
42 0.000000D+00 0.458425D+02
43 0.000000D+00 0.721971D+01 0.173387D+02
44 0.000000D+00 -0.568891D-01 -0.659435D+00 0.172871D+02
45 0.000000D+00 -0.580288D-01 -0.694994D+00 -0.121206D+00 0.177329D+02
46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
47 0.000000D+00 0.177901D+01 0.739745D+01 0.646618D+01 0.108506D+01
48 0.000000D+00 0.405596D-04 0.118364D+01 -0.127752D+01 0.149301D+01
49 0.000000D+00 0.125866D+01 0.643763D+01 -0.448122D+01 0.488627D+01
50 0.000000D+00 0.135466D+01 0.439196D+01 -0.375328D+00 0.437082D+01
51 0.000000D+00 -0.159064D+01 -0.545573D+01 0.482163D+01 -0.172318D+01
52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
53 0.000000D+00 0.163312D+00 0.154750D+01 -0.177776D+01 0.784381D+00
54 0.000000D+00 0.168621D+00 0.148403D+01 -0.549555D+00 0.174937D+01
55 0.000000D+00 0.000000D+00 0.375667D-01 0.259972D-01 -0.872831D-01
56 0.123621D-03 0.358484D-01 0.857040D+00 0.318669D+00 -0.127075D+01
57 -0.812870D-04 -0.249763D-01 -0.428908D+00 0.162077D+00 0.683519D+00
58 -0.282285D-03 0.832549D-01 0.122047D+01 0.504069D+00 -0.163011D+01
59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
60 0.232668D-04 0.326160D-01 0.504205D+00 0.436910D+00 -0.578595D+00
46 47 48 49 50
46 0.168603D+02
47 0.000000D+00 0.133300D+02
48 0.000000D+00 0.166912D+00 0.438857D+02
49 0.000000D+00 0.158277D+01 0.673370D+01 0.153763D+02
50 0.000000D+00 0.181193D+01 0.395101D-01 0.453366D+00 0.153871D+02
51 0.000000D+00 -0.902555D+00 -0.101798D+00 -0.117958D+01 -0.205183D+00
52 0.351769D+01 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
53 0.000000D+00 0.222126D+00 0.168229D+01 0.680358D+01 -0.605470D+01
54 0.000000D+00 0.690835D+00 0.167499D+01 0.644069D+01 0.197443D+01
55 0.000000D+00 0.400633D-01 0.000000D+00 0.833186D-04 0.127156D-03
56 0.000000D+00 0.567731D+00 0.743991D-04 0.304890D-01 0.248123D-01
57 0.000000D+00 0.603444D-01 -0.113784D-03 -0.261368D-01 -0.126740D-01
58 0.000000D+00 0.793438D+00 0.245076D-03 0.539763D-01 0.454598D-01
59 0.315994D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
60 0.000000D+00 0.818103D+00 0.148938D-03 0.189934D-01 0.219052D-01
51 52 53 54 55
51 0.156039D+02
52 0.000000D+00 0.150069D+02
53 -0.127322D+01 0.000000D+00 0.125858D+02
54 0.525997D+01 0.000000D+00 0.187703D+01 0.113577D+02
55 -0.274477D-03 0.000000D+00 0.671876D-04 0.801685D-05 0.473013D+02
56 -0.553699D-01 0.000000D+00 0.121369D-01 0.319167D-02 0.758202D+01
57 0.489722D-01 0.000000D+00 -0.146823D-01 -0.193242D-02 -0.105001D+00
58 -0.906377D-01 0.000000D+00 0.176002D-01 0.624931D-02 -0.202397D-01
59 0.000000D+00 0.884862D-02 0.000000D+00 0.000000D+00 0.000000D+00
60 -0.273577D-01 0.000000D+00 0.400822D-02 0.365159D-02 0.187146D+01
56 57 58 59 60
56 0.187985D+02
57 -0.122525D+01 0.188489D+02
58 -0.233575D+00 -0.701674D-01 0.191374D+02
59 0.000000D+00 0.000000D+00 0.000000D+00 0.182728D+02
60 0.790439D+01 0.650440D+01 0.231765D+01 0.000000D+00 0.140618D+02
****** Core Hamiltonian ******
1 2 3 4 5
1 -0.322727D+02
2 -0.788214D+01 -0.191952D+02
3 0.140156D-01 0.162229D+00 -0.183280D+02
4 0.471897D-01 0.541720D+00 -0.201595D-01 -0.185128D+02
5 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.175877D+02
6 -0.353356D-04 -0.111547D+01 0.173546D+01 0.639227D+00 0.000000D+00
7 -0.113979D+01 -0.677737D+01 0.671402D+01 0.266095D+01 0.000000D+00
8 -0.177469D+01 -0.696598D+01 0.508829D+01 0.339611D+01 0.000000D+00
9 -0.649582D+00 -0.233412D+01 0.297754D+01 -0.254935D+01 0.000000D+00
10 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.354669D+01
11 0.000000D+00 -0.501559D-01 0.758855D-01 0.889538D-01 0.000000D+00
12 -0.513551D-01 -0.109333D+01 0.105261D+01 0.122562D+01 0.000000D+00
13 -0.778094D-01 -0.105278D+01 0.672132D+00 0.129539D+01 0.000000D+00
14 -0.910590D-01 -0.123683D+01 0.130739D+01 0.107716D+01 0.000000D+00
15 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.404850D+00
16 0.000000D+00 -0.966267D-02 0.493373D-02 0.258255D-01 0.000000D+00
17 -0.966267D-02 -0.419677D+00 0.128215D+00 0.670729D+00 0.000000D+00
18 -0.493373D-02 -0.128215D+00 -0.120141D+00 0.220508D+00 0.000000D+00
19 -0.258255D-01 -0.670729D+00 0.220508D+00 0.990351D+00 0.000000D+00
20 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.143968D+00
21 0.000000D+00 -0.489759D-01 -0.369129D-01 0.108395D+00 0.000000D+00
22 -0.499852D-01 -0.107515D+01 -0.516448D+00 0.150622D+01 0.000000D+00
23 0.377895D-01 0.515392D+00 -0.161155D+00 -0.792529D+00 0.000000D+00
24 -0.110641D+00 -0.151397D+01 -0.799081D+00 0.189084D+01 0.000000D+00
25 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.397467D+00
26 -0.160982D+00 -0.163966D+01 0.205640D+01 -0.123272D+00 0.000000D+00
27 -0.259635D-02 -0.113662D+00 0.142283D+00 0.122324D+00 0.000000D+00
28 -0.256628D-02 -0.112680D+00 -0.865301D-01 0.164948D+00 0.000000D+00
29 0.000000D+00 -0.260310D-05 0.214022D-05 0.105025D-04 0.000000D+00
30 -0.278396D-05 -0.525963D-02 0.231178D-02 0.113647D-01 0.000000D+00
31 -0.229242D-05 -0.230913D-02 -0.628716D-03 0.506453D-02 0.000000D+00
32 -0.112386D-04 -0.112821D-01 0.503262D-02 0.230546D-01 0.000000D+00
33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.147504D-02
34 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
35 0.000000D+00 -0.147457D-03 0.219438D-05 0.384530D-03 0.000000D+00
36 0.000000D+00 0.222256D-05 -0.449974D-04 -0.716209D-05 0.000000D+00
37 0.000000D+00 -0.389595D-03 0.456556D-05 0.974726D-03 0.000000D+00
38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.401639D-04
39 0.000000D+00 -0.465178D-03 -0.209048D-03 0.102931D-02 0.000000D+00
40 -0.224706D-05 -0.164626D-02 0.138847D-02 0.322738D-02 0.000000D+00
41 0.000000D+00 -0.637233D-05 0.101918D-05 0.171497D-04 0.000000D+00
42 -0.914914D-05 -0.879447D+00 -0.326252D+00 -0.142921D+01 0.000000D+00
43 -0.941243D+00 -0.571903D+01 -0.133765D+01 -0.601691D+01 0.000000D+00
44 0.350388D+00 0.150032D+01 -0.253615D+01 0.195864D+01 0.000000D+00
45 0.152990D+01 0.629558D+01 0.185227D+01 0.520352D+01 0.000000D+00
46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.289675D+01
47 -0.156327D+00 -0.152810D+01 -0.118960D+01 -0.148255D+01 0.000000D+00
48 0.000000D+00 -0.326527D-01 0.166583D-01 -0.768295D-01 0.000000D+00
49 -0.370660D-01 -0.809717D+00 0.234069D+00 -0.118266D+01 0.000000D+00
50 -0.189587D-01 -0.288940D+00 -0.220157D+00 -0.458691D+00 0.000000D+00
51 0.873964D-01 0.120930D+01 -0.385779D+00 0.160360D+01 0.000000D+00
52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.293251D+00
53 -0.234356D-01 -0.402589D+00 0.323132D+00 -0.478758D+00 0.000000D+00
54 -0.185172D-02 -0.824747D-01 0.674696D-02 -0.136653D+00 0.000000D+00
55 -0.345244D-04 -0.110809D+01 -0.136213D+01 0.123299D+01 0.000000D+00
56 -0.113577D+01 -0.673016D+01 -0.517630D+01 0.495476D+01 0.000000D+00
57 0.139909D+01 0.557724D+01 0.180877D+01 -0.513731D+01 0.000000D+00
58 -0.126070D+01 -0.471983D+01 -0.466635D+01 0.720089D+00 0.000000D+00
59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.351993D+01
60 -0.163388D+00 -0.163699D+01 -0.194214D+01 0.647544D+00 0.000000D+00
6 7 8 9 10
6 -0.315188D+02
7 -0.769489D+01 -0.184347D+02
8 -0.891178D-01 -0.104080D+01 -0.175554D+02
9 0.504386D-01 0.585995D+00 -0.136832D+00 -0.176968D+02
10 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.168991D+02
11 -0.482492D-04 -0.116179D+01 0.354523D+00 0.189230D+01 0.000000D+00
12 -0.116540D+01 -0.676818D+01 0.101521D+01 0.713857D+01 0.000000D+00
13 -0.362169D+00 -0.166687D+01 -0.335461D+01 0.213377D+01 0.000000D+00
14 -0.189696D+01 -0.703317D+01 0.143727D+01 0.573373D+01 0.000000D+00
15 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.357244D+01
16 0.000000D+00 -0.499852D-01 -0.377895D-01 0.110641D+00 0.000000D+00
17 -0.489759D-01 -0.107515D+01 -0.515392D+00 0.151397D+01 0.000000D+00
18 0.369129D-01 0.516448D+00 -0.161155D+00 -0.799081D+00 0.000000D+00
19 -0.108395D+00 -0.150622D+01 -0.792529D+00 0.189084D+01 0.000000D+00
20 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.397467D+00
21 0.000000D+00 -0.120617D-01 -0.243317D-01 0.210452D-01 0.000000D+00
22 -0.120617D-01 -0.479654D+00 -0.583223D+00 0.503919D+00 0.000000D+00
23 0.243317D-01 0.583223D+00 0.578606D+00 -0.661939D+00 0.000000D+00
24 -0.210452D-01 -0.503919D+00 -0.661939D+00 0.382459D+00 0.000000D+00
25 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.166182D+00
26 -0.189410D+01 -0.790772D+01 0.510953D+01 -0.445151D+01 0.000000D+00
27 -0.164292D+00 -0.161726D+01 0.110945D+01 0.170059D+01 0.000000D+00
28 -0.349820D-03 -0.338000D-01 -0.461271D-01 0.396531D-01 0.000000D+00
29 0.000000D+00 -0.761381D-04 -0.332890D-04 0.272584D-03 0.000000D+00
30 -0.800957D-04 -0.309703D-01 -0.820337D-02 0.602069D-01 0.000000D+00
31 0.347535D-04 0.644543D-02 -0.799819D-02 -0.125853D-01 0.000000D+00
32 -0.286845D-03 -0.610367D-01 -0.162247D-01 0.112252D+00 0.000000D+00
33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.894101D-02
34 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
35 0.000000D+00 -0.511209D-03 -0.345764D-03 0.121094D-02 0.000000D+00
36 0.000000D+00 0.331518D-03 0.767937D-04 -0.788682D-03 0.000000D+00
37 0.000000D+00 -0.123188D-02 -0.836230D-03 0.277622D-02 0.000000D+00
38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.138912D-03
39 0.000000D+00 -0.494419D-03 -0.514158D-03 0.991863D-03 0.000000D+00
40 -0.177705D-03 -0.210686D-01 0.468877D-02 0.379422D-01 0.000000D+00
41 0.000000D+00 -0.350035D-04 -0.159976D-04 0.868464D-04 0.000000D+00
42 0.000000D+00 -0.314825D-01 -0.498220D-01 -0.581999D-01 0.000000D+00
43 -0.329388D-01 -0.802672D+00 -0.825250D+00 -0.891639D+00 0.000000D+00
44 0.520980D-01 0.765035D+00 0.547320D+00 0.930727D+00 0.000000D+00
45 0.609926D-01 0.959698D+00 0.106638D+01 0.842055D+00 0.000000D+00
46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.290165D+00
47 -0.204687D-02 -0.963325D-01 -0.128147D+00 -0.965287D-01 0.000000D+00
48 0.000000D+00 -0.336673D-02 -0.254083D-02 -0.946498D-02 0.000000D+00
49 -0.373541D-02 -0.210110D+00 -0.104130D+00 -0.337885D+00 0.000000D+00
50 0.280608D-02 0.805013D-01 -0.337015D-01 0.138401D+00 0.000000D+00
51 0.105210D-01 0.351392D+00 0.183372D+00 0.522442D+00 0.000000D+00
52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.704110D-01
53 -0.232623D-01 -0.375175D+00 0.322286D-01 -0.535658D+00 0.000000D+00
54 -0.102921D-03 -0.135256D-01 -0.774392D-02 -0.240713D-01 0.000000D+00
55 0.000000D+00 -0.542438D-01 -0.123088D+00 0.239187D-01 0.000000D+00
56 -0.544192D-01 -0.114966D+01 -0.166492D+01 0.309348D+00 0.000000D+00
57 0.123506D+00 0.166147D+01 0.218106D+01 -0.494521D+00 0.000000D+00
58 -0.239201D-01 -0.335423D+00 -0.533479D+00 -0.373694D+00 0.000000D+00
59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.427552D+00
60 -0.271296D-02 -0.120168D+00 -0.198103D+00 0.630839D-02 0.000000D+00
11 12 13 14 15
11 -0.314102D+02
12 -0.766791D+01 -0.183262D+02
13 -0.105001D+00 -0.122525D+01 -0.173712D+02
14 -0.202397D-01 -0.233575D+00 0.701674D-01 -0.176597D+02
15 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.167951D+02
16 -0.345244D-04 -0.113577D+01 -0.139909D+01 0.126070D+01 0.000000D+00
17 -0.110809D+01 -0.673016D+01 -0.557724D+01 0.471983D+01 0.000000D+00
18 0.136213D+01 0.517630D+01 0.180877D+01 -0.466635D+01 0.000000D+00
19 -0.123299D+01 -0.495476D+01 -0.513731D+01 0.720089D+00 0.000000D+00
20 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.351993D+01
21 0.000000D+00 -0.544192D-01 -0.123506D+00 0.239201D-01 0.000000D+00
22 -0.542438D-01 -0.114966D+01 -0.166147D+01 0.335423D+00 0.000000D+00
23 0.123088D+00 0.166492D+01 0.218106D+01 -0.533479D+00 0.000000D+00
24 -0.239187D-01 -0.309348D+00 -0.494521D+00 -0.373694D+00 0.000000D+00
25 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.427552D+00
26 -0.165203D+00 -0.163130D+01 0.416810D+00 -0.200966D+01 0.000000D+00
27 -0.188227D+01 -0.780032D+01 0.626232D+01 0.223474D+01 0.000000D+00
28 -0.265954D-02 -0.119168D+00 -0.185238D+00 0.670737D-01 0.000000D+00
29 0.000000D+00 -0.376124D-01 -0.258305D-01 0.861107D-01 0.000000D+00
30 -0.393307D-01 -0.873365D+00 -0.432373D+00 0.123206D+01 0.000000D+00
31 0.268514D-01 0.322134D+00 -0.166070D+00 -0.504132D+00 0.000000D+00
32 -0.901389D-01 -0.128233D+01 -0.683582D+00 0.162630D+01 0.000000D+00
33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.320007D+00
34 0.000000D+00 -0.861184D-04 -0.129635D-03 0.279215D-03 0.000000D+00
35 -0.950379D-04 -0.322212D-01 -0.273283D-01 0.565426D-01 0.000000D+00
36 0.143006D-03 0.260038D-01 0.130131D-01 -0.472537D-01 0.000000D+00
37 -0.308617D-03 -0.579362D-01 -0.507660D-01 0.940077D-01 0.000000D+00
38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.934236D-02
39 -0.739497D-04 -0.127812D-01 -0.153430D-01 0.184100D-01 0.000000D+00
40 -0.411928D-01 -0.579338D+00 0.615903D-01 0.802641D+00 0.000000D+00
41 -0.903580D-05 -0.341616D-02 -0.203989D-02 0.663378D-02 0.000000D+00
42 0.000000D+00 -0.652998D-04 -0.118953D-03 -0.205157D-03 0.000000D+00
43 -0.683114D-04 -0.287474D-01 -0.290418D-01 -0.487950D-01 0.000000D+00
44 0.124375D-03 0.280645D-01 0.198880D-01 0.487847D-01 0.000000D+00
45 0.214731D-03 0.498453D-01 0.514876D-01 0.780644D-01 0.000000D+00
46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.827630D-02
47 -0.898681D-05 -0.381467D-02 -0.505562D-02 -0.591839D-02 0.000000D+00
48 0.000000D+00 -0.120086D-05 -0.119714D-05 -0.491890D-05 0.000000D+00
49 -0.133162D-05 -0.322529D-02 -0.183652D-02 -0.687310D-02 0.000000D+00
50 0.132255D-05 0.157516D-02 -0.936087D-04 0.337718D-02 0.000000D+00
51 0.545981D-05 0.718462D-02 0.411709D-02 0.144747D-01 0.000000D+00
52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.913758D-03
53 -0.898358D-04 -0.131657D-01 -0.735081D-03 -0.242926D-01 0.000000D+00
54 0.000000D+00 -0.136819D-03 -0.884790D-04 -0.309982D-03 0.000000D+00
55 0.000000D+00 -0.126150D-01 -0.316788D-01 -0.109288D-01 0.000000D+00
56 -0.126150D-01 -0.492576D+00 -0.746457D+00 -0.257182D+00 0.000000D+00
57 0.316788D-01 0.746457D+00 0.102965D+01 0.420916D+00 0.000000D+00
58 0.109288D-01 0.257182D+00 0.420916D+00 -0.496184D-01 0.000000D+00
59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.171007D+00
60 -0.365250D-03 -0.347435D-01 -0.589813D-01 -0.203485D-01 0.000000D+00
16 17 18 19 20
16 -0.322727D+02
17 -0.788214D+01 -0.191952D+02
18 -0.140156D-01 -0.162229D+00 -0.183280D+02
19 -0.471897D-01 -0.541720D+00 -0.201595D-01 -0.185128D+02
20 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.175877D+02
21 -0.353356D-04 -0.111547D+01 -0.173546D+01 -0.639227D+00 0.000000D+00
22 -0.113979D+01 -0.677737D+01 -0.671402D+01 -0.266095D+01 0.000000D+00
23 0.177469D+01 0.696598D+01 0.508829D+01 0.339611D+01 0.000000D+00
24 0.649582D+00 0.233412D+01 0.297754D+01 -0.254935D+01 0.000000D+00
25 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.354669D+01
26 -0.256628D-02 -0.112680D+00 0.865301D-01 -0.164948D+00 0.000000D+00
27 -0.163388D+00 -0.163699D+01 0.194214D+01 -0.647544D+00 0.000000D+00
28 -0.160982D+00 -0.163966D+01 -0.205640D+01 0.123272D+00 0.000000D+00
29 -0.914914D-05 -0.879447D+00 0.326252D+00 0.142921D+01 0.000000D+00
30 -0.941243D+00 -0.571903D+01 0.133765D+01 0.601691D+01 0.000000D+00
31 -0.350388D+00 -0.150032D+01 -0.253615D+01 0.195864D+01 0.000000D+00
32 -0.152990D+01 -0.629558D+01 0.185227D+01 0.520352D+01 0.000000D+00
33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.289675D+01
34 0.000000D+00 -0.326527D-01 -0.166583D-01 0.768295D-01 0.000000D+00
35 -0.370660D-01 -0.809717D+00 -0.234069D+00 0.118266D+01 0.000000D+00
36 0.189587D-01 0.288940D+00 -0.220157D+00 -0.458691D+00 0.000000D+00
37 -0.873964D-01 -0.120930D+01 -0.385779D+00 0.160360D+01 0.000000D+00
38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.293251D+00
39 -0.234356D-01 -0.402589D+00 -0.323132D+00 0.478758D+00 0.000000D+00
40 -0.156327D+00 -0.152810D+01 0.118960D+01 0.148255D+01 0.000000D+00
41 -0.185172D-02 -0.824747D-01 -0.674696D-02 0.136653D+00 0.000000D+00
42 0.000000D+00 -0.260310D-05 -0.214022D-05 -0.105025D-04 0.000000D+00
43 -0.278396D-05 -0.525963D-02 -0.231178D-02 -0.113647D-01 0.000000D+00
44 0.229242D-05 0.230913D-02 -0.628716D-03 0.506453D-02 0.000000D+00
45 0.112386D-04 0.112821D-01 0.503262D-02 0.230546D-01 0.000000D+00
46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.147504D-02
47 -0.224706D-05 -0.164626D-02 -0.138847D-02 -0.322738D-02 0.000000D+00
48 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
49 0.000000D+00 -0.147457D-03 -0.219438D-05 -0.384530D-03 0.000000D+00
50 0.000000D+00 -0.222256D-05 -0.449974D-04 -0.716209D-05 0.000000D+00
51 0.000000D+00 0.389595D-03 0.456556D-05 0.974726D-03 0.000000D+00
52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.401639D-04
53 0.000000D+00 -0.465178D-03 0.209048D-03 -0.102931D-02 0.000000D+00
54 0.000000D+00 -0.637233D-05 -0.101918D-05 -0.171497D-04 0.000000D+00
55 0.000000D+00 -0.501559D-01 -0.758855D-01 -0.889538D-01 0.000000D+00
56 -0.513551D-01 -0.109333D+01 -0.105261D+01 -0.122562D+01 0.000000D+00
57 0.778094D-01 0.105278D+01 0.672132D+00 0.129539D+01 0.000000D+00
58 0.910590D-01 0.123683D+01 0.130739D+01 0.107716D+01 0.000000D+00
59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.404850D+00
60 -0.259635D-02 -0.113662D+00 -0.142283D+00 -0.122324D+00 0.000000D+00
21 22 23 24 25
21 -0.315188D+02
22 -0.769489D+01 -0.184347D+02
23 0.891178D-01 0.104080D+01 -0.175554D+02
24 -0.504386D-01 -0.585995D+00 -0.136832D+00 -0.176968D+02
25 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.168991D+02
26 -0.349820D-03 -0.338000D-01 0.461271D-01 -0.396531D-01 0.000000D+00
27 -0.271296D-02 -0.120168D+00 0.198103D+00 -0.630839D-02 0.000000D+00
28 -0.189410D+01 -0.790772D+01 -0.510953D+01 0.445151D+01 0.000000D+00
29 0.000000D+00 -0.314825D-01 0.498220D-01 0.581999D-01 0.000000D+00
30 -0.329388D-01 -0.802672D+00 0.825250D+00 0.891639D+00 0.000000D+00
31 -0.520980D-01 -0.765035D+00 0.547320D+00 0.930727D+00 0.000000D+00
32 -0.609926D-01 -0.959698D+00 0.106638D+01 0.842055D+00 0.000000D+00
33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.290165D+00
34 0.000000D+00 -0.336673D-02 0.254083D-02 0.946498D-02 0.000000D+00
35 -0.373541D-02 -0.210110D+00 0.104130D+00 0.337885D+00 0.000000D+00
36 -0.280608D-02 -0.805013D-01 -0.337015D-01 0.138401D+00 0.000000D+00
37 -0.105210D-01 -0.351392D+00 0.183372D+00 0.522442D+00 0.000000D+00
38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.704110D-01
39 -0.232623D-01 -0.375175D+00 -0.322286D-01 0.535658D+00 0.000000D+00
40 -0.204687D-02 -0.963325D-01 0.128147D+00 0.965287D-01 0.000000D+00
41 -0.102921D-03 -0.135256D-01 0.774392D-02 0.240713D-01 0.000000D+00
42 0.000000D+00 -0.761381D-04 0.332890D-04 -0.272584D-03 0.000000D+00
43 -0.800957D-04 -0.309703D-01 0.820337D-02 -0.602069D-01 0.000000D+00
44 -0.347535D-04 -0.644543D-02 -0.799819D-02 -0.125853D-01 0.000000D+00
45 0.286845D-03 0.610367D-01 -0.162247D-01 0.112252D+00 0.000000D+00
46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.894101D-02
47 -0.177705D-03 -0.210686D-01 -0.468877D-02 -0.379422D-01 0.000000D+00
48 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
49 0.000000D+00 -0.511209D-03 0.345764D-03 -0.121094D-02 0.000000D+00
50 0.000000D+00 -0.331518D-03 0.767937D-04 -0.788682D-03 0.000000D+00
51 0.000000D+00 0.123188D-02 -0.836230D-03 0.277622D-02 0.000000D+00
52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.138912D-03
53 0.000000D+00 -0.494419D-03 0.514158D-03 -0.991863D-03 0.000000D+00
54 0.000000D+00 -0.350035D-04 0.159976D-04 -0.868464D-04 0.000000D+00
55 -0.482492D-04 -0.116179D+01 -0.354523D+00 -0.189230D+01 0.000000D+00
56 -0.116540D+01 -0.676818D+01 -0.101521D+01 -0.713857D+01 0.000000D+00
57 0.362169D+00 0.166687D+01 -0.335461D+01 0.213377D+01 0.000000D+00
58 0.189696D+01 0.703317D+01 0.143727D+01 0.573373D+01 0.000000D+00
59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.357244D+01
60 -0.164292D+00 -0.161726D+01 -0.110945D+01 -0.170059D+01 0.000000D+00
26 27 28 29 30
26 -0.135903D+02
27 -0.745360D+00 -0.133018D+02
28 -0.204757D-02 -0.136674D-01 -0.135903D+02
29 -0.720138D-05 -0.336377D-01 -0.252688D-01 -0.299514D+02
30 -0.324756D-02 -0.515201D+00 -0.443275D+00 -0.730560D+01 -0.168664D+02
31 0.168504D-02 0.442966D+00 -0.564512D+00 -0.568891D-01 -0.659435D+00
32 -0.648709D-02 -0.585669D+00 -0.309006D+00 -0.580288D-01 -0.694994D+00
33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
34 0.000000D+00 -0.163976D-03 -0.240343D-01 -0.119042D-03 -0.119198D+01
35 -0.358006D-04 -0.200002D-01 -0.393914D+00 -0.126701D+01 -0.638068D+01
36 0.321152D-04 0.229213D-01 -0.311710D+00 0.136128D+01 0.428200D+01
37 -0.855337D-04 -0.285455D-01 -0.482581D+00 -0.159840D+01 -0.532701D+01
38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
39 -0.274131D-04 -0.423280D-02 -0.111649D+01 -0.165669D+00 -0.156239D+01
40 -0.407596D-02 -0.829355D+00 -0.418778D-01 -0.178987D+01 -0.729396D+01
41 -0.315490D-05 -0.388806D-02 -0.368055D-01 -0.171014D+00 -0.149884D+01
42 -0.252688D-01 -0.555658D-05 -0.720138D-05 0.000000D+00 0.000000D+00
43 -0.443275D+00 -0.282258D-02 -0.324756D-02 0.000000D+00 -0.123416D-04
44 0.564512D+00 0.357652D-02 -0.168504D-02 0.000000D+00 0.736311D-05
45 0.309006D+00 0.465098D-02 0.648709D-02 0.000000D+00 0.350042D-04
46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
47 -0.418778D-01 -0.284982D-03 -0.407596D-02 0.000000D+00 -0.559574D-05
48 -0.240343D-01 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
49 -0.393914D+00 -0.590211D-03 -0.358006D-04 0.000000D+00 0.000000D+00
50 0.311710D+00 0.499780D-03 -0.321152D-04 0.000000D+00 0.000000D+00
51 0.482581D+00 0.123277D-02 0.855337D-04 0.000000D+00 0.000000D+00
52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
53 -0.111649D+01 -0.434057D-02 -0.274131D-04 0.000000D+00 -0.166570D-05
54 -0.368055D-01 -0.259857D-04 -0.315490D-05 0.000000D+00 0.000000D+00
55 -0.265954D-02 -0.365250D-03 -0.165203D+00 0.000000D+00 -0.683114D-04
56 -0.119168D+00 -0.347435D-01 -0.163130D+01 -0.652998D-04 -0.287474D-01
57 0.185238D+00 0.589813D-01 -0.416810D+00 0.118953D-03 0.290418D-01
58 -0.670737D-01 0.203485D-01 0.200966D+01 0.205157D-03 0.487950D-01
59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
60 -0.136674D-01 -0.210451D-02 -0.745360D+00 -0.555658D-05 -0.282258D-02
31 32 33 34 35
31 -0.158094D+02
32 0.121206D+00 -0.162552D+02
33 0.000000D+00 0.000000D+00 -0.153825D+02
34 -0.128414D+01 0.150077D+01 0.000000D+00 -0.279945D+02
35 -0.437126D+01 0.475755D+01 0.000000D+00 -0.681959D+01 -0.149041D+02
36 0.283139D+00 -0.415744D+01 0.000000D+00 0.395101D-01 0.453366D+00
37 -0.460825D+01 0.156349D+01 0.000000D+00 -0.101798D+00 -0.117958D+01
38 0.000000D+00 0.000000D+00 -0.342760D+01 0.000000D+00 0.000000D+00
39 -0.177784D+01 0.784417D+00 0.000000D+00 -0.169302D+01 -0.669867D+01
40 0.621654D+01 0.103408D+01 0.000000D+00 -0.169355D+00 -0.159745D+01
41 -0.549422D+00 0.174885D+01 0.000000D+00 -0.168573D+01 -0.633585D+01
42 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
43 -0.736311D-05 -0.350042D-04 0.000000D+00 0.000000D+00 0.000000D+00
44 0.000000D+00 0.208928D-04 0.000000D+00 0.000000D+00 0.000000D+00
45 0.208928D-04 0.954048D-04 0.000000D+00 0.000000D+00 0.000000D+00
46 0.000000D+00 0.000000D+00 -0.345637D-05 0.000000D+00 0.000000D+00
47 -0.546889D-05 -0.142379D-04 0.000000D+00 0.000000D+00 0.000000D+00
48 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
49 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
50 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
51 0.000000D+00 0.151282D-05 0.000000D+00 0.000000D+00 0.000000D+00
52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
53 0.000000D+00 -0.470192D-05 0.000000D+00 0.000000D+00 0.000000D+00
54 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
55 -0.124375D-03 -0.214731D-03 0.000000D+00 0.000000D+00 -0.133162D-05
56 -0.280645D-01 -0.498453D-01 0.000000D+00 -0.120086D-05 -0.322529D-02
57 0.198880D-01 0.514876D-01 0.000000D+00 0.119714D-05 0.183652D-02
58 0.487847D-01 0.780644D-01 0.000000D+00 0.491890D-05 0.687310D-02
59 0.000000D+00 0.000000D+00 -0.827630D-02 0.000000D+00 0.000000D+00
60 -0.357652D-02 -0.465098D-02 0.000000D+00 0.000000D+00 -0.590211D-03
36 37 38 39 40
36 -0.139094D+02
37 0.205183D+00 -0.141262D+02
38 0.000000D+00 0.000000D+00 -0.135292D+02
39 -0.579962D+01 -0.123804D+01 0.000000D+00 -0.118258D+02
40 0.181058D+01 -0.902000D+00 0.000000D+00 -0.227882D+00 -0.125700D+02
41 0.189375D+01 0.501560D+01 0.000000D+00 -0.188477D+01 -0.701797D+00
42 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
43 0.000000D+00 0.000000D+00 0.000000D+00 -0.166570D-05 -0.559574D-05
44 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.546889D-05
45 0.000000D+00 0.151282D-05 0.000000D+00 0.470192D-05 0.142379D-04
46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
47 0.000000D+00 0.000000D+00 0.000000D+00 -0.278853D-05 -0.135152D-05
48 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
49 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
50 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
51 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
53 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.278853D-05
54 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
55 -0.132255D-05 -0.545981D-05 0.000000D+00 -0.898358D-04 -0.898681D-05
56 -0.157516D-02 -0.718462D-02 0.000000D+00 -0.131657D-01 -0.381467D-02
57 -0.936087D-04 0.411709D-02 0.000000D+00 0.735081D-03 0.505562D-02
58 0.337718D-02 0.144747D-01 0.000000D+00 0.242926D-01 0.591839D-02
59 0.000000D+00 0.000000D+00 -0.913758D-03 0.000000D+00 0.000000D+00
60 -0.499780D-03 -0.123277D-02 0.000000D+00 -0.434057D-02 -0.284982D-03
41 42 43 44 45
41 -0.105976D+02
42 0.000000D+00 -0.299514D+02
43 0.000000D+00 -0.730560D+01 -0.168664D+02
44 0.000000D+00 0.568891D-01 0.659435D+00 -0.158094D+02
45 0.000000D+00 0.580288D-01 0.694994D+00 0.121206D+00 -0.162552D+02
46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
47 0.000000D+00 -0.178987D+01 -0.729396D+01 -0.621654D+01 -0.103408D+01
48 0.000000D+00 -0.119042D-03 -0.119198D+01 0.128414D+01 -0.150077D+01
49 0.000000D+00 -0.126701D+01 -0.638068D+01 0.437126D+01 -0.475755D+01
50 0.000000D+00 -0.136128D+01 -0.428200D+01 0.283139D+00 -0.415744D+01
51 0.000000D+00 0.159840D+01 0.532701D+01 -0.460825D+01 0.156349D+01
52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
53 0.000000D+00 -0.165669D+00 -0.156239D+01 0.177784D+01 -0.784417D+00
54 0.000000D+00 -0.171014D+00 -0.149884D+01 0.549422D+00 -0.174885D+01
55 0.000000D+00 0.000000D+00 -0.393307D-01 -0.268514D-01 0.901389D-01
56 -0.136819D-03 -0.376124D-01 -0.873365D+00 -0.322134D+00 0.128233D+01
57 0.884790D-04 0.258305D-01 0.432373D+00 -0.166070D+00 -0.683582D+00
58 0.309982D-03 -0.861107D-01 -0.123206D+01 -0.504132D+00 0.162630D+01
59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
60 -0.259857D-04 -0.336377D-01 -0.515201D+00 -0.442966D+00 0.585669D+00
46 47 48 49 50
46 -0.153825D+02
47 0.000000D+00 -0.125700D+02
48 0.000000D+00 -0.169355D+00 -0.279945D+02
49 0.000000D+00 -0.159745D+01 -0.681959D+01 -0.149041D+02
50 0.000000D+00 -0.181058D+01 -0.395101D-01 -0.453366D+00 -0.139094D+02
51 0.000000D+00 0.902000D+00 0.101798D+00 0.117958D+01 0.205183D+00
52 -0.342760D+01 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
53 0.000000D+00 -0.227882D+00 -0.169302D+01 -0.669867D+01 0.579962D+01
54 0.000000D+00 -0.701797D+00 -0.168573D+01 -0.633585D+01 -0.189375D+01
55 0.000000D+00 -0.411928D-01 0.000000D+00 -0.950379D-04 -0.143006D-03
56 0.000000D+00 -0.579338D+00 -0.861184D-04 -0.322212D-01 -0.260038D-01
57 0.000000D+00 -0.615903D-01 0.129635D-03 0.273283D-01 0.130131D-01
58 0.000000D+00 -0.802641D+00 -0.279215D-03 -0.565426D-01 -0.472537D-01
59 -0.320007D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
60 0.000000D+00 -0.829355D+00 -0.163976D-03 -0.200002D-01 -0.229213D-01
51 52 53 54 55
51 -0.141262D+02
52 0.000000D+00 -0.135292D+02
53 0.123804D+01 0.000000D+00 -0.118258D+02
54 -0.501560D+01 0.000000D+00 -0.188477D+01 -0.105976D+02
55 0.308617D-03 0.000000D+00 -0.739497D-04 -0.903580D-05 -0.314102D+02
56 0.579362D-01 0.000000D+00 -0.127812D-01 -0.341616D-02 -0.766791D+01
57 -0.507660D-01 0.000000D+00 0.153430D-01 0.203989D-02 0.105001D+00
58 0.940077D-01 0.000000D+00 -0.184100D-01 -0.663378D-02 0.202397D-01
59 0.000000D+00 -0.934236D-02 0.000000D+00 0.000000D+00 0.000000D+00
60 0.285455D-01 0.000000D+00 -0.423280D-02 -0.388806D-02 -0.188227D+01
56 57 58 59 60
56 -0.183262D+02
57 0.122525D+01 -0.173712D+02
58 0.233575D+00 0.701674D-01 -0.176597D+02
59 0.000000D+00 0.000000D+00 0.000000D+00 -0.167951D+02
60 -0.780032D+01 -0.626232D+01 -0.223474D+01 0.000000D+00 -0.133018D+02
SVDSVc IOpt= 1 NormSV=T IR=1
SVDSVc V= 2.49D+00 2.27D+00 2.04D+00 1.91D+00 1.89D+00 1.69D+00 1.49D+00 1.34D+00 1.19D+00 1.17D+00
SVDSVc V= 9.88D-01 9.79D-01 9.65D-01 9.40D-01 9.26D-01 4.04D-01 3.53D-01 3.42D-01 3.21D-01 3.14D-01
SVDSVc V= 2.98D-01 2.83D-01 2.24D-01 2.16D-01 1.93D-01
SVDSVc IOpt= 1 NormSV=T IR=2
SVDSVc V= 1.34D+00 1.18D+00 1.09D+00 7.59D-01 5.98D-01
SVDSVc IOpt= 1 NormSV=T IR=3
SVDSVc V= 1.52D+00 1.22D+00 8.41D-01 7.73D-01 6.76D-01
SVDSVc IOpt= 1 NormSV=T IR=4
SVDSVc V= 2.32D+00 2.19D+00 2.05D+00 1.81D+00 1.65D+00 1.52D+00 1.45D+00 1.42D+00 1.35D+00 1.25D+00
SVDSVc V= 9.98D-01 9.68D-01 9.38D-01 9.26D-01 9.23D-01 4.28D-01 4.05D-01 3.60D-01 3.21D-01 2.99D-01
SVDSVc V= 2.91D-01 2.62D-01 2.49D-01 1.95D-01 1.81D-01
TstOVc: Largest diagonal error= 4.22D-15 IB=4 I= 59.
TstOVc: Largest same sym error= 3.15D-15 IB=4 I= 57 J= 56.
TstOVc: Largest diff sym error= 4.29D-16 IB=4 JB=1 I= 59 J= 25.
Orthogonalized basis functions:
1 2 3 4 5
1 0.542661D-01 0.119214D-01 0.221054D-01 0.727036D-01 0.646057D-02
2 0.211614D+00 0.458726D-01 0.608987D-01 0.161455D+00 0.271367D-01
3 -0.209253D-01 0.121417D-02 0.213818D+00 -0.690149D-01 -0.295531D-01
4 -0.107066D+00 0.143431D+00 0.389358D-01 0.698809D-01 0.174307D+00
5 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
6 0.545326D-01 -0.785885D-02 -0.551375D-01 -0.179839D-01 0.410563D-01
7 0.210551D+00 -0.207991D-01 -0.133885D+00 -0.426141D-01 0.105827D+00
8 0.878958D-01 -0.212415D-01 0.540095D-02 0.200698D+00 -0.166636D+00
9 -0.730270D-01 0.918541D-01 -0.666125D-01 0.130673D+00 0.139872D+00
10 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
11 0.544869D-01 -0.172488D-01 0.400974D-01 -0.633092D-01 0.374732D-02
12 0.210485D+00 -0.481756D-01 0.103018D+00 -0.144859D+00 0.230016D-01
13 0.108978D+00 -0.454022D-01 -0.421732D-01 0.170277D+00 -0.178884D+00
14 0.357089D-01 -0.500536D-01 -0.168254D+00 -0.995368D-01 0.695005D-02
15 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
16 0.542661D-01 0.119214D-01 0.221054D-01 0.727036D-01 0.646057D-02
17 0.211614D+00 0.458726D-01 0.608987D-01 0.161455D+00 0.271367D-01
18 0.209253D-01 -0.121417D-02 -0.213818D+00 0.690149D-01 0.295531D-01
19 0.107066D+00 -0.143431D+00 -0.389358D-01 -0.698809D-01 -0.174307D+00
20 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
21 0.545326D-01 -0.785885D-02 -0.551375D-01 -0.179839D-01 0.410563D-01
22 0.210551D+00 -0.207991D-01 -0.133885D+00 -0.426141D-01 0.105827D+00
23 -0.878958D-01 0.212415D-01 -0.540095D-02 -0.200698D+00 0.166636D+00
24 0.730270D-01 -0.918541D-01 0.666125D-01 -0.130673D+00 -0.139872D+00
25 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
26 0.741289D-01 0.364275D-01 -0.121112D+00 -0.717728D-01 0.200867D+00
27 0.730636D-01 0.508961D-02 0.125941D+00 -0.173553D+00 0.116236D+00
28 0.741289D-01 0.364275D-01 -0.121112D+00 -0.717728D-01 0.200867D+00
29 0.152391D-01 0.718031D-01 0.390074D-01 0.231975D-01 0.121373D-01
30 0.662382D-01 0.234606D+00 0.104422D+00 0.577195D-01 0.228421D-01
31 0.123447D-01 0.519347D-01 -0.153658D+00 0.581386D-01 0.350105D-01
32 0.386770D-01 -0.538310D-01 0.735802D-01 0.139470D+00 0.150131D+00
33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
34 0.780687D-02 0.710895D-01 -0.372851D-01 -0.359749D-01 -0.534715D-01
35 0.319187D-01 0.233221D+00 -0.925030D-01 -0.844172D-01 -0.125300D+00
36 -0.177417D-03 -0.449897D-01 -0.804343D-01 0.221417D-01 0.579481D-01
37 0.214696D-01 0.594161D-01 0.956464D-03 0.103778D+00 0.115322D+00
38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
39 0.248545D-01 0.130435D+00 -0.114340D+00 -0.385714D-01 -0.263417D-01
40 0.329787D-01 0.126670D+00 0.151093D+00 -0.203029D-01 -0.187126D-01
41 0.100386D-01 0.125362D+00 -0.465152D-01 -0.118412D+00 -0.159876D+00
42 0.152391D-01 0.718031D-01 0.390074D-01 0.231975D-01 0.121373D-01
43 0.662382D-01 0.234606D+00 0.104422D+00 0.577195D-01 0.228421D-01
44 -0.123447D-01 -0.519347D-01 0.153658D+00 -0.581386D-01 -0.350105D-01
45 -0.386770D-01 0.538310D-01 -0.735802D-01 -0.139470D+00 -0.150131D+00
46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
47 0.329787D-01 0.126670D+00 0.151093D+00 -0.203029D-01 -0.187126D-01
48 0.780687D-02 0.710895D-01 -0.372851D-01 -0.359749D-01 -0.534715D-01
49 0.319187D-01 0.233221D+00 -0.925030D-01 -0.844172D-01 -0.125300D+00
50 0.177417D-03 0.449897D-01 0.804343D-01 -0.221417D-01 -0.579481D-01
51 -0.214696D-01 -0.594161D-01 -0.956464D-03 -0.103778D+00 -0.115322D+00
52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
53 0.248545D-01 0.130435D+00 -0.114340D+00 -0.385714D-01 -0.263417D-01
54 0.100386D-01 0.125362D+00 -0.465152D-01 -0.118412D+00 -0.159876D+00
55 0.544869D-01 -0.172488D-01 0.400974D-01 -0.633092D-01 0.374732D-02
56 0.210485D+00 -0.481756D-01 0.103018D+00 -0.144859D+00 0.230016D-01
57 -0.108978D+00 0.454022D-01 0.421732D-01 -0.170277D+00 0.178884D+00
58 -0.357089D-01 0.500536D-01 0.168254D+00 0.995368D-01 -0.695005D-02
59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
60 0.730636D-01 0.508961D-02 0.125941D+00 -0.173553D+00 0.116236D+00
6 7 8 9 10
1 0.318089D-01 -0.539269D-01 -0.706311D-01 0.180192D-01 0.276496D-01
2 0.536464D-01 -0.737840D-01 -0.745067D-01 0.240231D-01 0.205155D-01
3 0.122484D+00 0.189875D-01 0.824976D-01 -0.377252D-01 0.322242D+00
4 0.970809D-02 -0.221252D-01 -0.680102D-02 0.286439D+00 0.975692D-02
5 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
6 -0.589219D-01 -0.381913D-01 0.185908D-01 0.287087D-01 -0.404812D-01
7 -0.104169D+00 -0.620152D-01 0.133831D-01 0.116268D-01 -0.129684D-01
8 0.234207D-01 0.116292D-01 -0.911561D-01 0.462676D-02 -0.298647D+00
9 -0.958026D-02 -0.185571D+00 -0.122876D+00 -0.260262D+00 -0.183107D-01
10 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
11 0.397171D-01 0.505074D-01 -0.259793D-01 0.412879D-02 0.560133D-01
12 0.758331D-01 0.645508D-01 -0.396764D-01 0.150272D-02 0.235338D-01
13 -0.362442D-01 -0.219221D-01 0.132227D+00 -0.506472D-01 0.262636D+00
14 -0.154774D+00 0.848019D-01 0.143989D+00 0.286931D+00 -0.363687D-01
15 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
16 0.318089D-01 -0.539269D-01 -0.706311D-01 0.180192D-01 0.276496D-01
17 0.536464D-01 -0.737840D-01 -0.745067D-01 0.240231D-01 0.205155D-01
18 -0.122484D+00 -0.189875D-01 -0.824976D-01 0.377252D-01 -0.322242D+00
19 -0.970809D-02 0.221252D-01 0.680102D-02 -0.286439D+00 -0.975692D-02
20 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
21 -0.589219D-01 -0.381913D-01 0.185908D-01 0.287087D-01 -0.404812D-01
22 -0.104169D+00 -0.620152D-01 0.133831D-01 0.116268D-01 -0.129684D-01
23 -0.234207D-01 -0.116292D-01 0.911561D-01 -0.462676D-02 0.298647D+00
24 0.958026D-02 0.185571D+00 0.122876D+00 0.260262D+00 0.183107D-01
25 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
26 -0.678059D-01 -0.130782D+00 0.284325D-01 -0.171598D+00 0.191636D+00
27 0.998870D-01 0.356691D-01 -0.158122D+00 -0.500421D-01 -0.229073D+00
28 -0.678059D-01 -0.130782D+00 0.284325D-01 -0.171598D+00 0.191636D+00
29 -0.602507D-01 0.623817D-01 0.452605D-01 0.977273D-01 0.273121D-01
30 -0.106311D+00 0.753321D-01 0.565914D-01 0.730616D-01 0.120699D-01
31 0.127395D+00 0.219246D+00 -0.237515D+00 0.810699D-01 0.131263D+00
32 0.144192D+00 -0.133809D+00 0.519457D-01 0.273674D+00 0.446802D-01
33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
34 0.435685D-01 0.274808D-01 -0.291982D-01 -0.268029D-01 0.333372D-01
35 0.883850D-01 0.271725D-01 -0.191941D-01 -0.644244D-02 0.181890D-01
36 0.268442D+00 -0.423943D-01 0.280833D+00 -0.160296D-01 -0.121924D+00
37 -0.333186D-01 0.348316D+00 0.713023D-01 -0.149357D+00 -0.725821D-03
38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
39 0.225696D+00 0.398533D-02 0.223409D+00 -0.693199D-01 -0.849517D-01
40 -0.166967D+00 -0.829079D-01 0.217249D+00 -0.743389D-01 -0.145882D+00
41 0.298704D-01 -0.215061D+00 -0.140185D+00 0.137294D+00 0.508797D-01
42 -0.602507D-01 0.623817D-01 0.452605D-01 0.977273D-01 0.273121D-01
43 -0.106311D+00 0.753321D-01 0.565914D-01 0.730616D-01 0.120699D-01
44 -0.127395D+00 -0.219246D+00 0.237515D+00 -0.810699D-01 -0.131263D+00
45 -0.144192D+00 0.133809D+00 -0.519457D-01 -0.273674D+00 -0.446802D-01
46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
47 -0.166967D+00 -0.829079D-01 0.217249D+00 -0.743389D-01 -0.145882D+00
48 0.435685D-01 0.274808D-01 -0.291982D-01 -0.268029D-01 0.333372D-01
49 0.883850D-01 0.271725D-01 -0.191941D-01 -0.644244D-02 0.181890D-01
50 -0.268442D+00 0.423943D-01 -0.280833D+00 0.160296D-01 0.121924D+00
51 0.333186D-01 -0.348316D+00 -0.713023D-01 0.149357D+00 0.725821D-03
52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
53 0.225696D+00 0.398533D-02 0.223409D+00 -0.693199D-01 -0.849517D-01
54 0.298704D-01 -0.215061D+00 -0.140185D+00 0.137294D+00 0.508797D-01
55 0.397171D-01 0.505074D-01 -0.259793D-01 0.412879D-02 0.560133D-01
56 0.758331D-01 0.645508D-01 -0.396764D-01 0.150272D-02 0.235338D-01
57 0.362442D-01 0.219221D-01 -0.132227D+00 0.506472D-01 -0.262636D+00
58 0.154774D+00 -0.848019D-01 -0.143989D+00 -0.286931D+00 0.363687D-01
59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
60 0.998870D-01 0.356691D-01 -0.158122D+00 -0.500421D-01 -0.229073D+00
11 12 13 14 15
1 0.395584D+00 -0.312250D+00 -0.174611D+00 -0.197983D+00 0.384668D+00
2 0.330782D-01 -0.166371D-01 -0.185585D-03 0.194441D-01 -0.654465D-01
3 0.523441D-01 0.113548D+00 -0.641518D-01 -0.523305D-01 -0.269283D-01
4 0.339808D-01 -0.302371D-02 0.113908D+00 -0.685330D-01 -0.514375D-01
5 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
6 0.398477D-01 0.540310D+00 -0.789037D-02 -0.356645D+00 0.235042D+00
7 0.176013D-02 0.270425D-01 -0.202788D-02 0.363061D-01 -0.424374D-01
8 -0.721356D-01 0.295854D-01 0.456329D-01 0.275221D-01 -0.227793D-01
9 -0.103115D+00 -0.314384D-02 0.563611D-01 0.180102D-01 0.517299D-01
10 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
11 -0.313180D+00 -0.201927D+00 0.464011D+00 -0.200242D+00 0.283735D+00
12 -0.256749D-01 -0.946356D-02 0.541772D-03 0.250202D-01 -0.477588D-01
13 -0.377634D-01 0.245307D-01 0.185626D-01 0.619426D-02 -0.569643D-01
14 0.771977D-01 -0.124964D+00 0.258579D-01 0.187005D-01 -0.205479D-01
15 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
16 0.395584D+00 -0.312250D+00 -0.174611D+00 -0.197983D+00 0.384668D+00
17 0.330782D-01 -0.166371D-01 -0.185585D-03 0.194441D-01 -0.654465D-01
18 -0.523441D-01 -0.113548D+00 0.641518D-01 0.523305D-01 0.269283D-01
19 -0.339808D-01 0.302371D-02 -0.113908D+00 0.685330D-01 0.514375D-01
20 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
21 0.398477D-01 0.540310D+00 -0.789037D-02 -0.356645D+00 0.235042D+00
22 0.176013D-02 0.270425D-01 -0.202788D-02 0.363061D-01 -0.424374D-01
23 0.721356D-01 -0.295854D-01 -0.456329D-01 -0.275221D-01 0.227793D-01
24 0.103115D+00 0.314384D-02 -0.563611D-01 -0.180102D-01 -0.517299D-01
25 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
26 -0.250137D-01 -0.695010D-01 -0.228460D-01 0.783223D-01 -0.399603D-01
27 0.208976D-01 0.278053D-01 -0.878489D-01 0.598462D-01 -0.400345D-01
28 -0.250137D-01 -0.695010D-01 -0.228460D-01 0.783223D-01 -0.399603D-01
29 -0.322388D+00 0.417034D-01 -0.316374D+00 0.305356D+00 0.410046D+00
30 -0.248278D-01 0.159672D-02 0.352409D-02 -0.245943D-01 -0.623847D-01
31 -0.386962D-01 0.247423D-01 -0.483184D-01 -0.470726D-01 -0.706692D-01
32 -0.163849D-01 0.602146D-01 0.728643D-01 0.898503D-01 -0.622953D-01
33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
34 0.315524D+00 0.183886D+00 0.346040D+00 0.429355D+00 0.201772D+00
35 0.196766D-01 0.810586D-02 0.249872D-03 -0.386050D-01 -0.323340D-01
36 -0.194555D-01 -0.736268D-02 -0.152067D-01 0.277880D-01 0.639213D-01
37 0.559527D-01 0.149907D-02 0.118820D-01 -0.614481D-01 -0.434320D-01
38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
39 -0.381961D-01 -0.412902D-01 -0.639048D-01 -0.777568D-01 -0.299599D-02
40 0.537157D-01 -0.453791D-01 0.788510D-01 -0.375178D-01 -0.470733D-01
41 -0.758344D-01 -0.147124D-01 -0.511709D-01 -0.521876D-01 -0.581452D-01
42 -0.322388D+00 0.417034D-01 -0.316374D+00 0.305356D+00 0.410046D+00
43 -0.248278D-01 0.159672D-02 0.352409D-02 -0.245943D-01 -0.623847D-01
44 0.386962D-01 -0.247423D-01 0.483184D-01 0.470726D-01 0.706692D-01
45 0.163849D-01 -0.602146D-01 -0.728643D-01 -0.898503D-01 0.622953D-01
46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
47 0.537157D-01 -0.453791D-01 0.788510D-01 -0.375178D-01 -0.470733D-01
48 0.315524D+00 0.183886D+00 0.346040D+00 0.429355D+00 0.201772D+00
49 0.196766D-01 0.810586D-02 0.249872D-03 -0.386050D-01 -0.323340D-01
50 0.194555D-01 0.736268D-02 0.152067D-01 -0.277880D-01 -0.639213D-01
51 -0.559527D-01 -0.149907D-02 -0.118820D-01 0.614481D-01 0.434320D-01
52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
53 -0.381961D-01 -0.412902D-01 -0.639048D-01 -0.777568D-01 -0.299599D-02
54 -0.758344D-01 -0.147124D-01 -0.511709D-01 -0.521876D-01 -0.581452D-01
55 -0.313180D+00 -0.201927D+00 0.464011D+00 -0.200242D+00 0.283735D+00
56 -0.256749D-01 -0.946356D-02 0.541772D-03 0.250202D-01 -0.477588D-01
57 0.377634D-01 -0.245307D-01 -0.185626D-01 -0.619426D-02 0.569643D-01
58 -0.771977D-01 0.124964D+00 -0.258579D-01 -0.187005D-01 0.205479D-01
59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
60 0.208976D-01 0.278053D-01 -0.878489D-01 0.598462D-01 -0.400345D-01
16 17 18 19 20
1 0.588197D-01 0.789883D-01 0.146132D-01 0.512502D-02 0.538172D-02
2 -0.185272D+00 -0.303341D+00 -0.682991D-01 -0.160550D-01 -0.257610D-01
3 -0.138201D+00 0.877604D-01 -0.197796D+00 0.160932D+00 0.142815D+00
4 -0.356182D+00 -0.806000D-01 0.381177D+00 0.160076D-01 0.557801D+00
5 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
6 0.320368D-01 0.741484D-01 0.323227D-01 -0.124747D-01 -0.208439D-01
7 -0.107770D+00 -0.280512D+00 -0.121073D+00 0.339758D-01 0.919301D-01
8 -0.156628D+00 0.441653D+00 -0.146443D+00 -0.133083D+00 0.371123D+00
9 0.177567D-01 -0.245343D+00 -0.118109D-01 0.557213D+00 -0.222814D+00
10 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
11 0.239900D-01 0.841329D-01 0.458301D-02 0.117113D-01 -0.168411D-01
12 -0.848984D-01 -0.316126D+00 -0.175135D-01 -0.304971D-01 0.671416D-01
13 0.899130D-01 0.172891D+00 0.642249D+00 0.391381D+00 0.706652D-01
14 -0.153283D-01 0.995192D-01 -0.235675D-01 0.463397D+00 -0.145555D+00
15 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
16 0.588197D-01 0.789883D-01 0.146132D-01 0.512502D-02 0.538172D-02
17 -0.185272D+00 -0.303341D+00 -0.682991D-01 -0.160550D-01 -0.257610D-01
18 0.138201D+00 -0.877604D-01 0.197796D+00 -0.160932D+00 -0.142815D+00
19 0.356182D+00 0.806000D-01 -0.381177D+00 -0.160076D-01 -0.557801D+00
20 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
21 0.320368D-01 0.741484D-01 0.323227D-01 -0.124747D-01 -0.208439D-01
22 -0.107770D+00 -0.280512D+00 -0.121073D+00 0.339758D-01 0.919301D-01
23 0.156628D+00 -0.441653D+00 0.146443D+00 0.133083D+00 -0.371123D+00
24 -0.177567D-01 0.245343D+00 0.118109D-01 -0.557213D+00 0.222814D+00
25 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
26 -0.165447D-02 0.593911D+00 -0.796382D-02 -0.398961D+00 0.322457D+00
27 0.118047D+00 0.380913D+00 0.512325D+00 0.456311D+00 -0.189621D-01
28 -0.165447D-02 0.593911D+00 -0.796382D-02 -0.398961D+00 0.322457D+00
29 0.294875D-02 -0.268265D-01 0.342478D-01 -0.180869D-01 0.420301D-01
30 -0.888840D-02 0.607398D-01 -0.105354D+00 0.527291D-01 -0.161489D+00
31 0.387407D+00 -0.815854D-01 0.302571D+00 -0.377881D+00 -0.184906D+00
32 0.304708D+00 0.314375D+00 -0.251991D+00 0.106232D-01 -0.475205D+00
33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
34 0.611153D-02 0.335172D-01 -0.128557D-01 0.502906D-02 0.288502D-02
35 -0.201037D-01 -0.993043D-01 0.234475D-01 -0.302185D-02 -0.281595D-01
36 0.354170D+00 -0.312108D+00 0.547763D-01 0.377615D-01 0.493291D+00
37 0.243837D+00 0.135719D+00 -0.431636D+00 0.344151D+00 0.267725D+00
38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
39 -0.419447D+00 0.255419D+00 -0.106623D-01 -0.293043D-01 -0.439082D+00
40 0.474578D+00 -0.936716D-01 0.258990D+00 -0.347036D+00 -0.122489D+00
41 0.396102D+00 0.100748D+00 -0.364918D+00 0.280751D+00 0.339649D+00
42 0.294875D-02 -0.268265D-01 0.342478D-01 -0.180869D-01 0.420301D-01
43 -0.888840D-02 0.607398D-01 -0.105354D+00 0.527291D-01 -0.161489D+00
44 -0.387407D+00 0.815854D-01 -0.302571D+00 0.377881D+00 0.184906D+00
45 -0.304708D+00 -0.314375D+00 0.251991D+00 -0.106232D-01 0.475205D+00
46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
47 0.474578D+00 -0.936716D-01 0.258990D+00 -0.347036D+00 -0.122489D+00
48 0.611153D-02 0.335172D-01 -0.128557D-01 0.502906D-02 0.288502D-02
49 -0.201037D-01 -0.993043D-01 0.234475D-01 -0.302185D-02 -0.281595D-01
50 -0.354170D+00 0.312108D+00 -0.547763D-01 -0.377615D-01 -0.493291D+00
51 -0.243837D+00 -0.135719D+00 0.431636D+00 -0.344151D+00 -0.267725D+00
52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
53 -0.419447D+00 0.255419D+00 -0.106623D-01 -0.293043D-01 -0.439082D+00
54 0.396102D+00 0.100748D+00 -0.364918D+00 0.280751D+00 0.339649D+00
55 0.239900D-01 0.841329D-01 0.458301D-02 0.117113D-01 -0.168411D-01
56 -0.848984D-01 -0.316126D+00 -0.175135D-01 -0.304971D-01 0.671416D-01
57 -0.899130D-01 -0.172891D+00 -0.642249D+00 -0.391381D+00 -0.706652D-01
58 0.153283D-01 -0.995192D-01 0.235675D-01 -0.463397D+00 0.145555D+00
59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
60 0.118047D+00 0.380913D+00 0.512325D+00 0.456311D+00 -0.189621D-01
21 22 23 24 25
1 0.101695D-01 0.296500D-02 -0.186454D+00 0.797030D-01 0.689971D-01
2 -0.409342D-01 -0.791735D-03 0.926915D+00 -0.396341D+00 -0.346038D+00
3 0.546958D+00 -0.443331D+00 -0.930866D-01 -0.347498D+00 0.124383D+00
4 -0.200458D+00 -0.205811D+00 -0.168592D+00 0.763599D-01 -0.118833D+00
5 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
6 0.310703D-02 0.175984D-01 0.155970D+00 0.134582D+00 -0.578704D-01
7 -0.193120D-01 -0.858024D-01 -0.778310D+00 -0.686937D+00 0.316138D+00
8 0.406411D+00 -0.297275D+00 -0.213419D+00 0.139889D+00 0.672047D-01
9 0.300607D+00 -0.321619D+00 -0.831151D-01 0.340899D+00 0.326832D-01
10 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
11 0.276416D-01 0.475958D-01 0.366144D-01 -0.204662D+00 0.102172D-01
12 -0.115512D+00 -0.207421D+00 -0.187229D+00 0.104314D+01 -0.631270D-01
13 -0.216811D+00 0.956473D-01 -0.163147D+00 0.109909D+00 0.107635D-02
14 0.463496D+00 -0.308030D+00 0.399159D+00 0.149719D+00 -0.114479D+00
15 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
16 0.101695D-01 0.296500D-02 -0.186454D+00 0.797030D-01 0.689971D-01
17 -0.409342D-01 -0.791735D-03 0.926915D+00 -0.396341D+00 -0.346038D+00
18 -0.546958D+00 0.443331D+00 0.930866D-01 0.347498D+00 -0.124383D+00
19 0.200458D+00 0.205811D+00 0.168592D+00 -0.763599D-01 0.118833D+00
20 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
21 0.310703D-02 0.175984D-01 0.155970D+00 0.134582D+00 -0.578704D-01
22 -0.193120D-01 -0.858024D-01 -0.778310D+00 -0.686937D+00 0.316138D+00
23 -0.406411D+00 0.297275D+00 0.213419D+00 -0.139889D+00 -0.672047D-01
24 -0.300607D+00 0.321619D+00 0.831151D-01 -0.340899D+00 -0.326832D-01
25 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
26 0.143311D+00 0.715390D-01 0.247762D+00 0.215374D+00 -0.110679D+00
27 0.215757D-01 0.121311D+00 0.630282D-01 -0.322045D+00 0.204944D-01
28 0.143311D+00 0.715390D-01 0.247762D+00 0.215374D+00 -0.110679D+00
29 -0.449067D-01 -0.118722D+00 -0.903792D-02 -0.471779D-01 -0.170364D+00
30 0.218702D+00 0.530950D+00 0.745216D-01 0.236095D+00 0.938028D+00
31 0.180830D+00 -0.386065D+00 0.491845D-01 -0.665492D-01 0.311024D+00
32 -0.324532D-01 0.115486D+00 -0.370675D+00 0.955577D-01 -0.319937D+00
33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
34 -0.100641D+00 -0.921147D-01 0.685063D-01 0.632741D-02 0.163415D+00
35 0.407054D+00 0.427174D+00 -0.362726D+00 -0.150516D-01 -0.912611D+00
36 0.262655D+00 0.238931D+00 0.167220D+00 0.284920D-01 0.287318D+00
37 -0.364812D+00 -0.823069D-01 -0.527001D-01 -0.473874D-01 -0.344046D+00
38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
39 -0.393544D+00 -0.372517D+00 0.335360D-01 -0.329336D-01 0.207753D+00
40 0.211467D-01 -0.514425D+00 -0.347285D-01 -0.982580D-01 -0.213886D+00
41 -0.410256D+00 -0.201732D+00 0.143867D+00 -0.109389D-01 0.201396D+00
42 -0.449067D-01 -0.118722D+00 -0.903792D-02 -0.471779D-01 -0.170364D+00
43 0.218702D+00 0.530950D+00 0.745216D-01 0.236095D+00 0.938028D+00
44 -0.180830D+00 0.386065D+00 -0.491845D-01 0.665492D-01 -0.311024D+00
45 0.324532D-01 -0.115486D+00 0.370675D+00 -0.955577D-01 0.319937D+00
46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
47 0.211467D-01 -0.514425D+00 -0.347285D-01 -0.982580D-01 -0.213886D+00
48 -0.100641D+00 -0.921147D-01 0.685063D-01 0.632741D-02 0.163415D+00
49 0.407054D+00 0.427174D+00 -0.362726D+00 -0.150516D-01 -0.912611D+00
50 -0.262655D+00 -0.238931D+00 -0.167220D+00 -0.284920D-01 -0.287318D+00
51 0.364812D+00 0.823069D-01 0.527001D-01 0.473874D-01 0.344046D+00
52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
53 -0.393544D+00 -0.372517D+00 0.335360D-01 -0.329336D-01 0.207753D+00
54 -0.410256D+00 -0.201732D+00 0.143867D+00 -0.109389D-01 0.201396D+00
55 0.276416D-01 0.475958D-01 0.366144D-01 -0.204662D+00 0.102172D-01
56 -0.115512D+00 -0.207421D+00 -0.187229D+00 0.104314D+01 -0.631270D-01
57 0.216811D+00 -0.956473D-01 0.163147D+00 -0.109909D+00 -0.107635D-02
58 -0.463496D+00 0.308030D+00 -0.399159D+00 -0.149719D+00 0.114479D+00
59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
60 0.215757D-01 0.121311D+00 0.630282D-01 -0.322045D+00 0.204944D-01
26 27 28 29 30
1 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
2 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
3 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
4 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
5 -0.339063D+00 -0.492660D-02 0.388020D+00 -0.112640D-01 0.549806D+00
6 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
7 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
8 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
9 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
10 -0.129987D+00 0.458307D+00 0.231479D+00 0.235686D+00 -0.464731D+00
11 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
12 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
13 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
14 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
15 0.125981D+00 0.462967D+00 -0.221186D+00 -0.243810D+00 0.461948D+00
16 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
17 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
18 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
19 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
20 0.339063D+00 0.492660D-02 -0.388020D+00 0.112640D-01 -0.549806D+00
21 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
22 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
23 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
24 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
25 0.129987D+00 -0.458307D+00 -0.231479D+00 -0.235686D+00 0.464731D+00
26 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
27 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
28 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
29 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
30 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
31 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
32 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
33 0.380945D+00 0.329425D-02 0.197374D+00 0.529624D+00 0.287473D+00
34 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
35 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
36 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
37 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
38 0.281120D+00 -0.596321D-02 0.406689D+00 -0.513038D+00 -0.148329D+00
39 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
40 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
41 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
42 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
43 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
44 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
45 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
46 -0.380945D+00 -0.329425D-02 -0.197374D+00 -0.529624D+00 -0.287473D+00
47 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
48 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
49 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
50 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
51 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
52 -0.281120D+00 0.596321D-02 -0.406689D+00 0.513038D+00 0.148329D+00
53 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
54 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
55 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
56 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
57 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
58 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
59 -0.125981D+00 -0.462967D+00 0.221186D+00 0.243810D+00 -0.461948D+00
60 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
31 32 33 34 35
1 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
2 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
3 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
4 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
5 0.333589D+00 -0.189881D-01 -0.415899D+00 -0.252987D-01 0.522799D+00
6 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
7 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
8 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
9 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
10 0.296162D+00 -0.182954D+00 0.262559D+00 -0.556428D+00 -0.206556D+00
11 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
12 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
13 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
14 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
15 0.296219D+00 -0.185031D+00 0.226933D+00 0.580141D+00 -0.179175D+00
16 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
17 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
18 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
19 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
20 0.333589D+00 -0.189881D-01 -0.415899D+00 -0.252987D-01 0.522799D+00
21 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
22 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
23 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
24 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
25 0.296162D+00 -0.182954D+00 0.262559D+00 -0.556428D+00 -0.206556D+00
26 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
27 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
28 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
29 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
30 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
31 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
32 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
33 0.182539D+00 0.402958D+00 -0.286984D+00 0.228406D-02 -0.518679D+00
34 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
35 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
36 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
37 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
38 0.987231D-01 0.423129D+00 0.467402D+00 0.979053D-02 0.349750D+00
39 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
40 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
41 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
42 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
43 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
44 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
45 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
46 0.182539D+00 0.402958D+00 -0.286984D+00 0.228406D-02 -0.518679D+00
47 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
48 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
49 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
50 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
51 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
52 0.987231D-01 0.423129D+00 0.467402D+00 0.979053D-02 0.349750D+00
53 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
54 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
55 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
56 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
57 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
58 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
59 0.296219D+00 -0.185031D+00 0.226933D+00 0.580141D+00 -0.179175D+00
60 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
36 37 38 39 40
1 -0.491825D-01 -0.190109D-01 0.698974D-01 0.193474D-01 0.216595D-01
2 -0.174425D+00 -0.599011D-01 0.192419D+00 0.389620D-01 0.385722D-01
3 0.835079D-02 -0.165674D+00 -0.247696D-01 -0.685252D-01 0.846213D-01
4 -0.760230D-01 0.170445D-01 -0.912559D-02 -0.564676D-01 -0.194159D+00
5 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
6 -0.285388D-01 0.614729D-01 0.584200D-01 -0.129846D-01 0.598783D-01
7 -0.980786D-01 0.190607D+00 0.163677D+00 -0.318507D-01 0.107314D+00
8 -0.309633D-01 -0.836226D-01 0.348902D-01 0.910082D-01 -0.463962D-01
9 -0.728215D-01 -0.449233D-01 0.629981D-01 0.132178D+00 -0.496441D-01
10 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
11 0.146181D-01 0.786501D-01 -0.157169D-01 -0.558940D-01 -0.343550D-01
12 0.511276D-01 0.244809D+00 -0.434291D-01 -0.124642D+00 -0.599630D-01
13 0.139298D-01 -0.501296D-01 -0.428226D-01 0.262658D-01 -0.493175D-01
14 -0.814115D-01 0.155241D-01 0.132511D+00 -0.799408D-01 0.187056D+00
15 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
16 0.491825D-01 0.190109D-01 -0.698974D-01 -0.193474D-01 -0.216595D-01
17 0.174425D+00 0.599011D-01 -0.192419D+00 -0.389620D-01 -0.385722D-01
18 0.835079D-02 -0.165674D+00 -0.247696D-01 -0.685252D-01 0.846213D-01
19 -0.760230D-01 0.170445D-01 -0.912559D-02 -0.564676D-01 -0.194159D+00
20 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
21 0.285388D-01 -0.614729D-01 -0.584200D-01 0.129846D-01 -0.598783D-01
22 0.980786D-01 -0.190607D+00 -0.163677D+00 0.318507D-01 -0.107314D+00
23 -0.309633D-01 -0.836226D-01 0.348902D-01 0.910082D-01 -0.463962D-01
24 -0.728215D-01 -0.449233D-01 0.629981D-01 0.132178D+00 -0.496441D-01
25 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
26 -0.808550D-01 0.143970D+00 0.106685D+00 0.410581D-02 0.742267D-01
27 0.417319D-01 0.180643D+00 -0.277696D-01 -0.733518D-01 -0.532031D-01
28 0.808550D-01 -0.143970D+00 -0.106685D+00 -0.410581D-02 -0.742267D-01
29 0.672739D-01 0.145575D-01 0.161839D-01 0.684558D-01 0.774117D-01
30 0.232272D+00 0.452994D-01 0.429180D-01 0.144759D+00 0.130023D+00
31 0.481560D-01 -0.835840D-01 0.105315D-01 -0.199127D+00 0.158054D+00
32 0.212157D-02 0.472747D-01 -0.193664D+00 -0.427349D-01 0.343648D-01
33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
34 0.553669D-01 -0.178247D-01 0.753003D-01 -0.459141D-01 -0.236390D-01
35 0.190596D+00 -0.492244D-01 0.203990D+00 -0.976284D-01 -0.477670D-01
36 -0.320595D-01 -0.333516D-01 -0.519140D-01 -0.205132D+00 -0.180340D-01
37 0.675339D-01 -0.875352D-02 -0.531457D-01 0.832560D-02 0.292079D+00
38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
39 0.112892D+00 -0.580252D-01 0.922840D-01 -0.192603D+00 -0.279889D-01
40 0.122070D+00 0.744727D-01 0.424636D-01 0.220456D+00 -0.225512D-01
41 0.921721D-01 -0.210861D-01 0.169701D+00 -0.327775D-01 -0.215432D+00
42 -0.672739D-01 -0.145575D-01 -0.161839D-01 -0.684558D-01 -0.774117D-01
43 -0.232272D+00 -0.452994D-01 -0.429180D-01 -0.144759D+00 -0.130023D+00
44 0.481560D-01 -0.835840D-01 0.105315D-01 -0.199127D+00 0.158054D+00
45 0.212157D-02 0.472747D-01 -0.193664D+00 -0.427349D-01 0.343648D-01
46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
47 -0.122070D+00 -0.744727D-01 -0.424636D-01 -0.220456D+00 0.225512D-01
48 -0.553669D-01 0.178247D-01 -0.753003D-01 0.459141D-01 0.236390D-01
49 -0.190596D+00 0.492244D-01 -0.203990D+00 0.976284D-01 0.477670D-01
50 -0.320595D-01 -0.333516D-01 -0.519140D-01 -0.205132D+00 -0.180340D-01
51 0.675339D-01 -0.875352D-02 -0.531457D-01 0.832560D-02 0.292079D+00
52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
53 -0.112892D+00 0.580252D-01 -0.922840D-01 0.192603D+00 0.279889D-01
54 -0.921721D-01 0.210861D-01 -0.169701D+00 0.327775D-01 0.215432D+00
55 -0.146181D-01 -0.786501D-01 0.157169D-01 0.558940D-01 0.343550D-01
56 -0.511276D-01 -0.244809D+00 0.434291D-01 0.124642D+00 0.599630D-01
57 0.139298D-01 -0.501296D-01 -0.428226D-01 0.262658D-01 -0.493175D-01
58 -0.814115D-01 0.155241D-01 0.132511D+00 -0.799408D-01 0.187056D+00
59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
60 -0.417319D-01 -0.180643D+00 0.277696D-01 0.733518D-01 0.532031D-01
41 42 43 44 45
1 -0.328827D-01 -0.132354D+00 -0.102646D-01 0.150182D-01 -0.344242D-01
2 -0.524615D-01 -0.171048D+00 -0.134717D-01 0.160732D-01 -0.329638D-01
3 0.256941D+00 -0.267462D-01 -0.955766D-01 -0.154199D+00 -0.114945D+00
4 0.136035D+00 0.546024D-01 0.605271D-01 0.226343D+00 -0.226685D+00
5 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
6 -0.551270D-01 0.560198D-01 0.691898D-01 -0.209473D-01 0.492397D-01
7 -0.820611D-01 0.733979D-01 0.812921D-01 -0.157299D-01 0.366557D-01
8 -0.226158D+00 -0.214870D+00 0.169010D+00 0.858172D-01 0.145270D+00
9 -0.132112D+00 0.154770D+00 -0.278090D+00 0.137414D+00 0.144528D-01
10 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
11 0.286225D-01 -0.572643D-01 0.818407D-01 0.719334D-01 -0.102721D-01
12 0.409963D-01 -0.735530D-01 0.966223D-01 0.786295D-01 -0.221206D-02
13 -0.410284D-01 0.258991D+00 0.307518D+00 0.956035D-01 -0.429062D-01
14 0.112529D+00 -0.237485D-01 0.183460D+00 -0.208531D+00 -0.529587D-01
15 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
16 0.328827D-01 0.132354D+00 0.102646D-01 -0.150182D-01 0.344242D-01
17 0.524615D-01 0.171048D+00 0.134717D-01 -0.160732D-01 0.329638D-01
18 0.256941D+00 -0.267462D-01 -0.955766D-01 -0.154199D+00 -0.114945D+00
19 0.136035D+00 0.546024D-01 0.605271D-01 0.226343D+00 -0.226685D+00
20 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
21 0.551270D-01 -0.560198D-01 -0.691898D-01 0.209473D-01 -0.492397D-01
22 0.820611D-01 -0.733979D-01 -0.812921D-01 0.157299D-01 -0.366557D-01
23 -0.226158D+00 -0.214870D+00 0.169010D+00 0.858172D-01 0.145270D+00
24 -0.132112D+00 0.154770D+00 -0.278090D+00 0.137414D+00 0.144528D-01
25 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
26 0.235041D-01 0.255195D+00 -0.175338D+00 0.158933D-02 -0.318681D-01
27 0.301273D-01 -0.237794D+00 -0.198885D+00 0.333222D-01 0.305564D-01
28 -0.235041D-01 -0.255195D+00 0.175338D+00 -0.158933D-02 0.318681D-01
29 -0.110755D-01 0.866231D-02 0.457468D-02 -0.133941D-02 0.883160D-02
30 -0.221835D-01 0.222921D-01 0.527421D-02 -0.152970D-01 0.195993D-02
31 0.382880D-01 0.410839D-01 -0.350873D-01 0.186453D+00 0.252532D+00
32 -0.176146D+00 0.869925D-01 -0.325757D-01 -0.231416D+00 0.160545D+00
33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
34 -0.489723D-02 0.185626D-01 -0.130529D-01 0.609614D-01 0.193611D-01
35 -0.188625D-01 0.297761D-01 -0.176885D-01 0.499387D-01 0.149230D-01
36 -0.255723D+00 0.157225D-01 -0.482800D-01 -0.112413D+00 -0.227997D+00
37 -0.370765D-01 -0.436985D-01 -0.806265D-02 0.250205D+00 -0.136718D+00
38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
39 -0.196214D+00 0.292954D-02 -0.300967D-01 -0.316013D-01 -0.207940D+00
40 -0.189870D-01 -0.420215D-01 0.204029D-01 -0.120876D+00 -0.246981D+00
41 0.663203D-01 0.508441D-01 0.365761D-02 -0.130172D+00 0.191084D+00
42 0.110755D-01 -0.866231D-02 -0.457468D-02 0.133941D-02 -0.883160D-02
43 0.221835D-01 -0.222921D-01 -0.527421D-02 0.152970D-01 -0.195993D-02
44 0.382880D-01 0.410839D-01 -0.350873D-01 0.186453D+00 0.252532D+00
45 -0.176146D+00 0.869925D-01 -0.325757D-01 -0.231416D+00 0.160545D+00
46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
47 0.189870D-01 0.420215D-01 -0.204029D-01 0.120876D+00 0.246981D+00
48 0.489723D-02 -0.185626D-01 0.130529D-01 -0.609614D-01 -0.193611D-01
49 0.188625D-01 -0.297761D-01 0.176885D-01 -0.499387D-01 -0.149230D-01
50 -0.255723D+00 0.157225D-01 -0.482800D-01 -0.112413D+00 -0.227997D+00
51 -0.370765D-01 -0.436985D-01 -0.806265D-02 0.250205D+00 -0.136718D+00
52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
53 0.196214D+00 -0.292954D-02 0.300967D-01 0.316013D-01 0.207940D+00
54 -0.663203D-01 -0.508441D-01 -0.365761D-02 0.130172D+00 -0.191084D+00
55 -0.286225D-01 0.572643D-01 -0.818407D-01 -0.719334D-01 0.102721D-01
56 -0.409963D-01 0.735530D-01 -0.966223D-01 -0.786295D-01 0.221206D-02
57 -0.410284D-01 0.258991D+00 0.307518D+00 0.956035D-01 -0.429062D-01
58 0.112529D+00 -0.237485D-01 0.183460D+00 -0.208531D+00 -0.529587D-01
59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
60 -0.301273D-01 0.237794D+00 0.198885D+00 -0.333222D-01 -0.305564D-01
46 47 48 49 50
1 0.331408D+00 0.139447D+00 0.106416D+00 0.522182D+00 -0.232972D+00
2 0.348903D-01 0.165797D-03 -0.592452D-02 -0.755053D-01 0.373229D-01
3 -0.117319D-02 -0.217427D-01 -0.541207D-02 0.713821D-01 0.128524D+00
4 0.415127D-02 -0.103681D+00 0.122623D+00 0.175662D-01 -0.217812D-01
5 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
6 -0.295424D+00 -0.281578D+00 0.811479D-01 0.423623D+00 0.344987D+00
7 -0.275271D-01 -0.392688D-02 -0.653553D-02 -0.606762D-01 -0.504735D-01
8 -0.498039D-01 -0.184053D-01 -0.213633D-01 -0.108617D+00 0.240338D-01
9 0.445438D-01 -0.188684D-02 -0.722743D-01 -0.470808D-02 0.103036D+00
10 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
11 0.310712D+00 0.174826D+00 -0.326179D+00 0.182292D-01 0.486235D+00
12 0.296388D-01 0.152389D-02 0.293586D-01 -0.954627D-03 -0.738433D-01
13 0.581663D-01 0.281574D-01 0.157461D-01 0.527942D-01 -0.890413D-01
14 0.898196D-02 0.486673D-01 -0.505257D-02 -0.124374D+00 -0.333503D-01
15 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
16 -0.331408D+00 -0.139447D+00 -0.106416D+00 -0.522182D+00 0.232972D+00
17 -0.348903D-01 -0.165797D-03 0.592452D-02 0.755053D-01 -0.373229D-01
18 -0.117319D-02 -0.217427D-01 -0.541207D-02 0.713821D-01 0.128524D+00
19 0.415127D-02 -0.103681D+00 0.122623D+00 0.175662D-01 -0.217812D-01
20 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
21 0.295424D+00 0.281578D+00 -0.811479D-01 -0.423623D+00 -0.344987D+00
22 0.275271D-01 0.392688D-02 0.653553D-02 0.606762D-01 0.504735D-01
23 -0.498039D-01 -0.184053D-01 -0.213633D-01 -0.108617D+00 0.240338D-01
24 0.445438D-01 -0.188684D-02 -0.722743D-01 -0.470808D-02 0.103036D+00
25 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
26 0.788352D-01 0.660485D-01 -0.444148D-01 -0.332268D-01 -0.499644D-01
27 -0.764546D-01 -0.668615D-01 0.632977D-01 -0.146183D-01 -0.433957D-01
28 -0.788352D-01 -0.660485D-01 0.444148D-01 0.332268D-01 0.499644D-01
29 0.360139D+00 -0.275491D+00 0.451906D+00 -0.180623D+00 0.187651D+00
30 0.387010D-01 -0.631159D-03 -0.430921D-01 0.330392D-01 -0.303562D-01
31 0.400141D-01 -0.454213D-01 -0.475363D-01 0.232618D-01 -0.586418D-01
32 0.727963D-01 0.103645D+00 0.455580D-01 0.638077D-01 -0.419653D-02
33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
34 -0.181143D+00 0.507822D+00 0.388771D+00 -0.143760D-01 0.189209D+00
35 -0.139181D-01 0.496888D-02 -0.396000D-01 0.564515D-02 -0.296013D-01
36 0.343860D-01 -0.131307D-01 0.422646D-01 -0.284381D-01 0.366235D-01
37 -0.593962D-01 0.154992D-01 -0.631045D-01 0.516722D-02 -0.388393D-01
38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
39 0.179064D-01 -0.905530D-01 -0.602284D-01 -0.188275D-01 -0.189845D-01
40 -0.690588D-01 0.519719D-01 -0.724844D-01 0.341634D-01 0.338675D-02
41 0.609248D-01 -0.746444D-01 -0.563223D-01 0.234908D-01 -0.392540D-01
42 -0.360139D+00 0.275491D+00 -0.451906D+00 0.180623D+00 -0.187651D+00
43 -0.387010D-01 0.631159D-03 0.430921D-01 -0.330392D-01 0.303562D-01
44 0.400141D-01 -0.454213D-01 -0.475363D-01 0.232618D-01 -0.586418D-01
45 0.727963D-01 0.103645D+00 0.455580D-01 0.638077D-01 -0.419653D-02
46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
47 0.690588D-01 -0.519719D-01 0.724844D-01 -0.341634D-01 -0.338675D-02
48 0.181143D+00 -0.507822D+00 -0.388771D+00 0.143760D-01 -0.189209D+00
49 0.139181D-01 -0.496888D-02 0.396000D-01 -0.564515D-02 0.296013D-01
50 0.343860D-01 -0.131307D-01 0.422646D-01 -0.284381D-01 0.366235D-01
51 -0.593962D-01 0.154992D-01 -0.631045D-01 0.516722D-02 -0.388393D-01
52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
53 -0.179064D-01 0.905530D-01 0.602284D-01 0.188275D-01 0.189845D-01
54 -0.609248D-01 0.746444D-01 0.563223D-01 -0.234908D-01 0.392540D-01
55 -0.310712D+00 -0.174826D+00 0.326179D+00 -0.182292D-01 -0.486235D+00
56 -0.296388D-01 -0.152389D-02 -0.293586D-01 0.954627D-03 0.738433D-01
57 0.581663D-01 0.281574D-01 0.157461D-01 0.527942D-01 -0.890413D-01
58 0.898196D-02 0.486673D-01 -0.505257D-02 -0.124374D+00 -0.333503D-01
59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
60 0.764546D-01 0.668615D-01 -0.632977D-01 0.146183D-01 0.433957D-01
51 52 53 54 55
1 -0.302196D-01 0.199316D-01 -0.367090D-01 -0.127483D-01 -0.466778D-01
2 0.832887D-01 -0.538273D-01 0.129930D+00 0.431243D-01 0.214138D+00
3 0.372554D+00 0.283773D+00 -0.195964D+00 0.871845D-01 0.111228D+00
4 0.235934D+00 -0.441656D+00 -0.607412D-01 0.218227D-01 0.361596D-01
5 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
6 -0.351445D-02 0.443395D-02 0.786070D-02 0.280540D-01 -0.410392D-01
7 0.147796D-01 -0.544906D-02 -0.125256D-01 -0.106320D+00 0.186552D+00
8 0.368198D+00 0.262007D+00 -0.140744D+00 0.121218D+00 -0.493962D-01
9 0.141435D+00 -0.345980D+00 -0.382550D+00 -0.141669D+00 -0.150198D+00
10 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
11 0.233508D-03 -0.438484D-02 -0.181946D-01 0.234960D-01 -0.116868D-01
12 0.198950D-02 0.151012D-01 0.419776D-01 -0.969812D-01 0.434099D-01
13 0.318521D+00 0.284927D+00 -0.315445D+00 0.897677D-01 -0.310705D-01
14 0.108039D+00 -0.398007D+00 -0.352499D+00 -0.195731D-01 -0.301717D+00
15 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
16 0.302196D-01 -0.199316D-01 0.367090D-01 0.127483D-01 0.466778D-01
17 -0.832887D-01 0.538273D-01 -0.129930D+00 -0.431243D-01 -0.214138D+00
18 0.372554D+00 0.283773D+00 -0.195964D+00 0.871845D-01 0.111228D+00
19 0.235934D+00 -0.441656D+00 -0.607412D-01 0.218227D-01 0.361596D-01
20 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
21 0.351445D-02 -0.443395D-02 -0.786070D-02 -0.280540D-01 0.410392D-01
22 -0.147796D-01 0.544906D-02 0.125256D-01 0.106320D+00 -0.186552D+00
23 0.368198D+00 0.262007D+00 -0.140744D+00 0.121218D+00 -0.493962D-01
24 0.141435D+00 -0.345980D+00 -0.382550D+00 -0.141669D+00 -0.150198D+00
25 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
26 0.173662D+00 0.484895D+00 0.995338D-01 0.231715D+00 0.206755D-01
27 0.374858D+00 0.142100D+00 -0.432175D+00 0.138809D+00 -0.144429D+00
28 -0.173662D+00 -0.484895D+00 -0.995338D-01 -0.231715D+00 -0.206755D-01
29 -0.649915D-02 0.461439D-01 0.512096D-01 -0.210556D-01 0.779964D-01
30 0.229237D-01 -0.126295D+00 -0.170360D+00 0.424823D-01 -0.360150D+00
31 0.318054D+00 -0.709264D-01 0.161880D+00 -0.593555D+00 0.290425D+00
32 0.245371D+00 -0.376220D+00 -0.150996D+00 0.140502D+00 0.273401D+00
33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
34 0.446386D-02 -0.595098D-02 -0.346651D-02 0.457755D-01 0.108465D+00
35 -0.123983D-01 0.324596D-02 -0.548604D-02 -0.145501D+00 -0.450168D+00
36 0.257114D+00 0.285674D-01 0.455796D+00 -0.744986D-01 -0.541527D+00
37 0.105845D+00 -0.215428D+00 0.246606D+00 0.653866D+00 0.123408D+00
38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
39 -0.289614D+00 0.703413D-01 -0.451824D+00 0.972116D-01 0.627234D+00
40 0.387306D+00 -0.569292D-01 0.255027D+00 -0.485884D+00 0.431093D+00
41 0.232941D+00 -0.228047D+00 0.350189D+00 0.576876D+00 0.190514D+00
42 0.649915D-02 -0.461439D-01 -0.512096D-01 0.210556D-01 -0.779964D-01
43 -0.229237D-01 0.126295D+00 0.170360D+00 -0.424823D-01 0.360150D+00
44 0.318054D+00 -0.709264D-01 0.161880D+00 -0.593555D+00 0.290425D+00
45 0.245371D+00 -0.376220D+00 -0.150996D+00 0.140502D+00 0.273401D+00
46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
47 -0.387306D+00 0.569292D-01 -0.255027D+00 0.485884D+00 -0.431093D+00
48 -0.446386D-02 0.595098D-02 0.346651D-02 -0.457755D-01 -0.108465D+00
49 0.123983D-01 -0.324596D-02 0.548604D-02 0.145501D+00 0.450168D+00
50 0.257114D+00 0.285674D-01 0.455796D+00 -0.744986D-01 -0.541527D+00
51 0.105845D+00 -0.215428D+00 0.246606D+00 0.653866D+00 0.123408D+00
52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
53 0.289614D+00 -0.703413D-01 0.451824D+00 -0.972116D-01 -0.627234D+00
54 -0.232941D+00 0.228047D+00 -0.350189D+00 -0.576876D+00 -0.190514D+00
55 -0.233508D-03 0.438484D-02 0.181946D-01 -0.234960D-01 0.116868D-01
56 -0.198950D-02 -0.151012D-01 -0.419776D-01 0.969812D-01 -0.434099D-01
57 0.318521D+00 0.284927D+00 -0.315445D+00 0.897677D-01 -0.310705D-01
58 0.108039D+00 -0.398007D+00 -0.352499D+00 -0.195731D-01 -0.301717D+00
59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
60 -0.374858D+00 -0.142100D+00 0.432175D+00 -0.138809D+00 0.144429D+00
56 57 58 59 60
1 -0.195622D-01 0.730082D-01 -0.125256D+00 0.928985D-02 0.155382D+00
2 0.392486D-01 -0.361758D+00 0.616248D+00 -0.332334D-01 -0.845207D+00
3 0.737801D-01 0.555512D+00 0.390570D+00 0.651653D-01 0.773048D-01
4 0.522451D+00 -0.121605D+00 0.114793D+00 -0.242208D+00 0.321167D+00
5 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
6 0.624400D-01 -0.722487D-01 -0.110940D+00 0.256735D-01 -0.156944D+00
7 -0.240891D+00 0.354997D+00 0.570683D+00 -0.139466D+00 0.868588D+00
8 0.465726D+00 0.341276D+00 -0.291487D+00 0.242269D-03 0.255089D+00
9 -0.283424D+00 0.478892D+00 -0.136609D+00 0.157717D+00 -0.230756D+00
10 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
11 -0.288106D-01 -0.146528D+00 -0.604037D-02 -0.453998D-01 0.154123D+00
12 0.932581D-01 0.714173D+00 0.279567D-01 0.263400D+00 -0.850593D+00
13 -0.467894D+00 -0.231888D+00 0.197502D+00 0.668736D-01 -0.318999D+00
14 -0.158558D-01 -0.551306D-01 -0.581200D+00 0.819723D-01 -0.128691D+00
15 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
16 0.195622D-01 -0.730082D-01 0.125256D+00 -0.928985D-02 -0.155382D+00
17 -0.392486D-01 0.361758D+00 -0.616248D+00 0.332334D-01 0.845207D+00
18 0.737801D-01 0.555512D+00 0.390570D+00 0.651653D-01 0.773048D-01
19 0.522451D+00 -0.121605D+00 0.114793D+00 -0.242208D+00 0.321167D+00
20 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
21 -0.624400D-01 0.722487D-01 0.110940D+00 -0.256735D-01 0.156944D+00
22 0.240891D+00 -0.354997D+00 -0.570683D+00 0.139466D+00 -0.868588D+00
23 0.465726D+00 0.341276D+00 -0.291487D+00 0.242269D-03 0.255089D+00
24 -0.283424D+00 0.478892D+00 -0.136609D+00 0.157717D+00 -0.230756D+00
25 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
26 0.520889D+00 -0.186104D+00 -0.349554D+00 -0.123517D-01 -0.137302D+00
27 -0.375864D+00 -0.468483D+00 -0.182766D-02 -0.632316D-01 0.125221D+00
28 -0.520889D+00 0.186104D+00 0.349554D+00 0.123517D-01 0.137302D+00
29 -0.686820D-01 -0.843154D-02 -0.761554D-01 0.167864D+00 0.484220D-01
30 0.294680D+00 0.457789D-01 0.354279D+00 -0.930658D+00 -0.248027D+00
31 -0.107891D-01 -0.128354D+00 -0.173001D+00 -0.299944D+00 -0.719502D-01
32 0.383624D+00 -0.182266D+00 0.340534D+00 0.369383D+00 -0.286545D-01
33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
34 -0.532920D-01 0.397572D-01 -0.625348D-01 -0.168034D+00 -0.297592D-01
35 0.245726D+00 -0.178814D+00 0.327534D+00 0.934205D+00 0.167153D+00
36 -0.171071D+00 0.959990D-01 0.291132D-02 -0.309344D+00 -0.306913D-01
37 -0.155846D+00 0.557212D-01 -0.617168D-01 0.345475D+00 0.767288D-01
38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
39 0.688246D-01 0.480313D-02 -0.177189D+00 -0.196184D+00 -0.593037D-01
40 -0.843196D-01 -0.976931D-01 -0.225387D+00 0.222681D+00 0.430433D-01
41 -0.269444D+00 0.138400D+00 -0.170478D+00 -0.213460D+00 -0.259349D-01
42 0.686820D-01 0.843154D-02 0.761554D-01 -0.167864D+00 -0.484220D-01
43 -0.294680D+00 -0.457789D-01 -0.354279D+00 0.930658D+00 0.248027D+00
44 -0.107891D-01 -0.128354D+00 -0.173001D+00 -0.299944D+00 -0.719502D-01
45 0.383624D+00 -0.182266D+00 0.340534D+00 0.369383D+00 -0.286545D-01
46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
47 0.843196D-01 0.976931D-01 0.225387D+00 -0.222681D+00 -0.430433D-01
48 0.532920D-01 -0.397572D-01 0.625348D-01 0.168034D+00 0.297592D-01
49 -0.245726D+00 0.178814D+00 -0.327534D+00 -0.934205D+00 -0.167153D+00
50 -0.171071D+00 0.959990D-01 0.291132D-02 -0.309344D+00 -0.306913D-01
51 -0.155846D+00 0.557212D-01 -0.617168D-01 0.345475D+00 0.767288D-01
52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
53 -0.688246D-01 -0.480313D-02 0.177189D+00 0.196184D+00 0.593037D-01
54 0.269444D+00 -0.138400D+00 0.170478D+00 0.213460D+00 0.259349D-01
55 0.288106D-01 0.146528D+00 0.604037D-02 0.453998D-01 -0.154123D+00
56 -0.932581D-01 -0.714173D+00 -0.279567D-01 -0.263400D+00 0.850593D+00
57 -0.467894D+00 -0.231888D+00 0.197502D+00 0.668736D-01 -0.318999D+00
58 -0.158558D-01 -0.551306D-01 -0.581200D+00 0.819723D-01 -0.128691D+00
59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
60 0.375864D+00 0.468483D+00 0.182766D-02 0.632316D-01 -0.125221D+00
NBasis= 60 RedAO= T EigKep= 1.81D-01 NBF= 25 5 5 25
NBsUse= 60 1.00D-06 EigRej= -1.00D+00 NBFU= 25 5 5 25
Precomputing XC quadrature grid using
IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00.
SetAtRh: ITypeU= 23 NETotI= 0 ICharg= 1 NETot= 0.
StAtR1: I= 1 I1= 1 IA= 6 C= 6.0 OKShel=TTT
SSP
222
StAtR1: I= 2 I1= 2 IA= 6 C= 6.0 OKShel=TTT
SSP
222
StAtR1: I= 3 I1= 3 IA= 6 C= 6.0 OKShel=TTT
SSP
222
StAtR1: I= 4 I1= 4 IA= 6 C= 6.0 OKShel=TTT
SSP
222
StAtR1: I= 5 I1= 5 IA= 6 C= 6.0 OKShel=TTT
SSP
222
StAtR1: I= 6 I1= 6 IA= 1 C= 1.0 OKShel=T
S
1
StAtR1: I= 7 I1= 7 IA= 1 C= 1.0 OKShel=T
S
1
StAtR1: I= 8 I1= 8 IA= 1 C= 1.0 OKShel=T
S
1
StAtR1: I= 9 I1= 9 IA= 6 C= 6.0 OKShel=TTT
SSP
222
StAtR1: I= 10 I1= 10 IA= 6 C= 6.0 OKShel=TTT
SSP
222
StAtR1: I= 11 I1= 11 IA= 1 C= 1.0 OKShel=T
S
1
StAtR1: I= 12 I1= 12 IA= 1 C= 1.0 OKShel=T
S
1
StAtR1: I= 13 I1= 13 IA= 1 C= 1.0 OKShel=T
S
1
StAtR1: I= 14 I1= 14 IA= 6 C= 6.0 OKShel=TTT
SSP
222
StAtR1: I= 15 I1= 15 IA= 1 C= 1.0 OKShel=T
S
1
StAtR1: I= 16 I1= 16 IA= 6 C= 6.0 OKShel=TTT
SSP
222
StAtR1: I= 17 I1= 17 IA= 1 C= 1.0 OKShel=T
S
1
StAtR1: I= 18 I1= 18 IA= 1 C= 1.0 OKShel=T
S
1
StAtR1: I= 19 I1= 19 IA= 6 C= 6.0 OKShel=TTT
SSP
222
StAtR1: I= 20 I1= 20 IA= 1 C= 1.0 OKShel=T
S
1
I= 1 IA= 6 I1= 1 NAtG= 0 NE= 6.000 C= 0.000 Err=-6.00D+00
I= 2 IA= 6 I1= 2 NAtG= 0 NE= 6.000 C= 0.000 Err=-6.00D+00
I= 3 IA= 6 I1= 3 NAtG= 0 NE= 6.000 C= 0.000 Err=-6.00D+00
I= 4 IA= 6 I1= 4 NAtG= 0 NE= 6.000 C= 0.000 Err=-6.00D+00
I= 5 IA= 6 I1= 5 NAtG= 0 NE= 6.000 C= 0.000 Err=-6.00D+00
I= 6 IA= 1 I1= 6 NAtG= 0 NE= 1.000 C= 0.000 Err=-1.00D+00
I= 7 IA= 1 I1= 7 NAtG= 0 NE= 1.000 C= 0.000 Err=-1.00D+00
I= 8 IA= 1 I1= 8 NAtG= 0 NE= 1.000 C= 0.000 Err=-1.00D+00
I= 9 IA= 6 I1= 9 NAtG= 0 NE= 6.000 C= 0.000 Err=-6.00D+00
I= 10 IA= 6 I1= 10 NAtG= 0 NE= 6.000 C= 0.000 Err=-6.00D+00
I= 11 IA= 1 I1= 11 NAtG= 0 NE= 1.000 C= 0.000 Err=-1.00D+00
I= 12 IA= 1 I1= 12 NAtG= 0 NE= 1.000 C= 0.000 Err=-1.00D+00
I= 13 IA= 1 I1= 13 NAtG= 0 NE= 1.000 C= 0.000 Err=-1.00D+00
I= 14 IA= 6 I1= 14 NAtG= 0 NE= 6.000 C= 0.000 Err=-6.00D+00
I= 15 IA= 1 I1= 15 NAtG= 0 NE= 1.000 C= 0.000 Err=-1.00D+00
I= 16 IA= 6 I1= 16 NAtG= 0 NE= 6.000 C= 0.000 Err=-6.00D+00
I= 17 IA= 1 I1= 17 NAtG= 0 NE= 1.000 C= 0.000 Err=-1.00D+00
I= 18 IA= 1 I1= 18 NAtG= 0 NE= 1.000 C= 0.000 Err=-1.00D+00
I= 19 IA= 6 I1= 19 NAtG= 0 NE= 6.000 C= 0.000 Err=-6.00D+00
I= 20 IA= 1 I1= 20 NAtG= 0 NE= 1.000 C= 0.000 Err=-1.00D+00
Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32
NSgBfM= 59 59 59 59 59 MxSgAt= 20 MxSgA2= 20.
IGWInf( 1) = 32 (NGWInf)
IGWInf( 2) = 20 (NAtomA)
IGWInf( 3) = 5 (IRadAn)
IGWInf( 4) = -1 (IRanWt)
IGWInf( 5) = 0 (IRanGd)
IGWInf( 6) = 2 (IRType)
IGWInf( 7) = 0 (NRdTot)
IGWInf( 8) = 0 (NGWTot)
IGWInf( 9) = 447680 (LGWBtD)
IGWInf(10) = 0 (NAtBtD)
IGWInf(11) = 0 (NIRBtD)
IGWInf(12) = 0 (NRRBtD)
IGWInf(13) = 1 (NClRep)
IGWInf(14) = 0 (ICntr3)
IGWInf(15) = 0 (IPFlag)
IGWInf(16) = 0 (IGet)
IGWInf(17) = 0
IGWInf(18) = 59
IGWInf(19) = 59
IGWInf(20) = 59
IGWInf(21) = 59
IGWInf(22) = 59
IGWInf(23) = 20
IGWInf(24) = 20
IGWInf(25) = 0
IGWInf(26) = 0
IGWInf(27) = 0
IGWInf(28) = 0
IGWInf(29) = 0
IGWInf(30) = 0
IGWInf(31) = 0
IGWInf(32) = 0
IAtBtD:
1 2 3 4 5
6 7 8 9 10
11 12 13 14 15
16 17 18 19 20
Leave Link 302 at Thu Apr 5 09:06:03 2018, MaxMem= 52428800 cpu: 0.6 elap: 0.6
(Enter /software/Gaussian16/g16_sse4/g16/l303.exe)
DipDrv will not compute anything.
Fermi contact integrals:
1 2 3 4 5
1 0.614289D+01 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
2 0.215555D+00 0.340536D-01 0.134748D-02 0.232338D-03 0.131028D-02
3 0.000000D+00 -0.530782D-01 -0.214437D-02 -0.124906D-03 0.103986D-02
4 0.000000D+00 -0.194715D-01 -0.251055D-02 -0.653683D-03 -0.304736D-02
5 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
6 0.000000D+00 0.614289D+01 0.000000D+00 0.000000D+00 0.000000D+00
7 0.340536D-01 0.215555D+00 0.356863D-01 0.131028D-02 0.299198D-03
8 0.530782D-01 0.000000D+00 -0.110039D-01 0.103986D-02 0.635642D-03
9 0.194715D-01 0.000000D+00 -0.581735D-01 -0.304736D-02 -0.549605D-03
10 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
11 0.000000D+00 0.000000D+00 0.614289D+01 0.000000D+00 0.000000D+00
12 0.134748D-02 0.356863D-01 0.215555D+00 0.339472D-01 0.146112D-02
13 0.214437D-02 0.110039D-01 0.000000D+00 0.418416D-01 0.348495D-02
14 0.251055D-02 0.581735D-01 0.000000D+00 -0.377648D-01 -0.675950D-03
15 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
16 0.000000D+00 0.000000D+00 0.000000D+00 0.614289D+01 0.000000D+00
17 0.232338D-03 0.131028D-02 0.339472D-01 0.215555D+00 0.340536D-01
18 0.124906D-03 -0.103986D-02 -0.418416D-01 0.000000D+00 0.530782D-01
19 0.653683D-03 0.304736D-02 0.377648D-01 0.000000D+00 0.194715D-01
20 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
21 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.614289D+01
22 0.131028D-02 0.299198D-03 0.146112D-02 0.340536D-01 0.215555D+00
23 -0.103986D-02 -0.635642D-03 -0.348495D-02 -0.530782D-01 0.000000D+00
24 0.304736D-02 0.549605D-03 0.675950D-03 -0.194715D-01 0.000000D+00
25 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
26 0.470070D-02 0.586578D-01 0.497104D-02 0.638364D-04 0.817130D-05
27 0.645757D-04 0.492654D-02 0.585090D-01 0.477622D-02 0.689260D-04
28 0.638364D-04 0.817130D-05 0.677463D-04 0.470070D-02 0.586578D-01
29 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
30 0.000000D+00 0.151829D-05 0.105091D-02 0.281276D-01 0.868181D-03
31 0.000000D+00 0.000000D+00 -0.756738D-03 0.105054D-01 0.144521D-02
32 0.000000D+00 0.574145D-05 0.253004D-02 0.458835D-01 0.168845D-02
33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
34 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
35 0.000000D+00 0.000000D+00 0.183491D-05 0.964917D-03 0.883733D-04
36 0.000000D+00 0.000000D+00 -0.291937D-05 -0.518801D-03 0.701183D-04
37 0.000000D+00 0.000000D+00 0.628784D-05 0.238943D-02 0.261964D-03
38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
39 0.000000D+00 0.000000D+00 0.163471D-05 0.639695D-03 0.652347D-03
40 0.000000D+00 0.406553D-05 0.118208D-02 0.457648D-02 0.516850D-04
41 0.000000D+00 0.000000D+00 0.000000D+00 0.458610D-04 0.232174D-05
42 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
43 0.281276D-01 0.868181D-03 0.128622D-05 0.000000D+00 0.151829D-05
44 -0.105054D-01 -0.144521D-02 -0.247526D-05 0.000000D+00 0.000000D+00
45 -0.458835D-01 -0.168845D-02 -0.426901D-05 0.000000D+00 -0.574145D-05
46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
47 0.457648D-02 0.516850D-04 0.000000D+00 0.000000D+00 0.406553D-05
48 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
49 0.964917D-03 0.883733D-04 0.000000D+00 0.000000D+00 0.000000D+00
50 0.518801D-03 -0.701183D-04 0.000000D+00 0.000000D+00 0.000000D+00
51 -0.238943D-02 -0.261964D-03 0.000000D+00 0.000000D+00 0.000000D+00
52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
53 0.639695D-03 0.652347D-03 0.200998D-05 0.000000D+00 0.000000D+00
54 0.458610D-04 0.232174D-05 0.000000D+00 0.000000D+00 0.000000D+00
55 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
56 0.339472D-01 0.146112D-02 0.314616D-03 0.134748D-02 0.356863D-01
57 -0.418416D-01 -0.348495D-02 -0.831989D-03 -0.214437D-02 -0.110039D-01
58 0.377648D-01 0.675950D-03 -0.286910D-03 -0.251055D-02 -0.581735D-01
59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
60 0.477622D-02 0.689260D-04 0.857189D-05 0.645757D-04 0.492654D-02
6 7 8 9 10
1 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
2 0.365552D-02 0.129467D-04 0.127519D-04 0.000000D+00 0.000000D+00
3 -0.794298D-02 -0.340224D-04 0.207997D-04 0.000000D+00 0.000000D+00
4 0.794343D-03 -0.287135D-04 -0.386427D-04 0.000000D+00 0.000000D+00
5 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
6 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
7 0.733885D-01 0.388779D-02 0.000000D+00 0.151829D-05 0.000000D+00
8 -0.971423D-01 -0.505292D-02 0.252279D-05 0.000000D+00 0.000000D+00
9 0.817758D-01 -0.673880D-02 -0.216503D-05 -0.574145D-05 0.000000D+00
10 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
11 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
12 0.393395D-02 0.732128D-01 0.137899D-04 0.105091D-02 0.183491D-05
13 -0.227770D-02 -0.119815D+00 0.444327D-04 0.756738D-03 0.291937D-05
14 0.819927D-02 -0.410366D-01 -0.161019D-04 -0.253004D-02 -0.628784D-05
15 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
16 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
17 0.127519D-04 0.373282D-02 0.365552D-02 0.281276D-01 0.964917D-03
18 -0.207997D-04 -0.781835D-02 0.794298D-02 -0.105054D-01 0.518801D-03
19 0.386427D-04 0.222790D-02 -0.794343D-03 -0.458835D-01 -0.238943D-02
20 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
21 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
22 0.000000D+00 0.141069D-04 0.733885D-01 0.868181D-03 0.883733D-04
23 -0.252279D-05 -0.482642D-04 0.971423D-01 -0.144521D-02 -0.701183D-04
24 0.216503D-05 0.151455D-05 -0.817758D-01 -0.168845D-02 -0.261964D-03
25 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
26 0.628247D+00 0.202442D-02 0.000000D+00 0.000000D+00 0.000000D+00
27 0.202442D-02 0.628247D+00 0.000000D+00 0.100324D-02 0.418482D-05
28 0.000000D+00 0.000000D+00 0.628247D+00 0.741102D-03 0.756007D-03
29 0.000000D+00 0.000000D+00 0.000000D+00 0.614289D+01 0.000000D+00
30 0.000000D+00 0.479161D-03 0.321617D-03 0.215555D+00 0.410845D-01
31 0.000000D+00 -0.841839D-03 0.804744D-03 0.000000D+00 0.443108D-01
32 0.000000D+00 0.983262D-03 0.398637D-03 0.000000D+00 -0.518713D-01
33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
34 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.614289D+01
35 0.000000D+00 0.000000D+00 0.330160D-03 0.410845D-01 0.215555D+00
36 0.000000D+00 0.000000D+00 0.538533D-03 -0.443108D-01 0.000000D+00
37 0.000000D+00 0.108410D-05 0.745880D-03 0.518713D-01 0.000000D+00
38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
39 0.000000D+00 0.000000D+00 0.469814D-02 0.522629D-02 0.588854D-01
40 0.000000D+00 0.276486D-02 0.984290D-05 0.582552D-01 0.571519D-02
41 0.000000D+00 0.000000D+00 0.108356D-04 0.542505D-02 0.588537D-01
42 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
43 0.321617D-03 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
44 -0.804744D-03 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
45 -0.398637D-03 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
47 0.984290D-05 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
48 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
49 0.330160D-03 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
50 -0.538533D-03 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
51 -0.745880D-03 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
53 0.469814D-02 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
54 0.108356D-04 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
55 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
56 0.137899D-04 0.000000D+00 0.393395D-02 0.128622D-05 0.000000D+00
57 -0.444327D-04 -0.333919D-05 0.227770D-02 -0.247526D-05 0.000000D+00
58 0.161019D-04 -0.114930D-05 -0.819927D-02 -0.426901D-05 0.000000D+00
59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
60 0.000000D+00 0.000000D+00 0.202442D-02 0.000000D+00 0.000000D+00
11 12 13 14 15
1 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
2 0.000000D+00 0.000000D+00 0.000000D+00 0.281276D-01 0.352920D-02
3 0.000000D+00 0.000000D+00 0.000000D+00 0.105054D-01 0.498163D-02
4 0.000000D+00 0.000000D+00 0.000000D+00 0.458835D-01 0.592554D-02
5 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
6 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
7 0.000000D+00 0.000000D+00 0.000000D+00 0.868181D-03 0.965717D-05
8 0.000000D+00 0.000000D+00 0.000000D+00 0.144521D-02 0.264612D-04
9 0.000000D+00 -0.135942D-05 0.000000D+00 0.168845D-02 0.209009D-04
10 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
11 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
12 0.000000D+00 0.594654D-03 0.000000D+00 0.128622D-05 0.000000D+00
13 0.000000D+00 -0.211478D-03 0.000000D+00 0.247526D-05 0.000000D+00
14 0.000000D+00 -0.156210D-02 0.000000D+00 0.426901D-05 0.000000D+00
15 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
16 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
17 0.264980D-03 0.352920D-02 0.825086D-05 0.000000D+00 0.000000D+00
18 0.429464D-03 -0.498163D-02 0.160669D-05 0.000000D+00 0.000000D+00
19 -0.616510D-03 -0.592554D-02 -0.289974D-04 0.000000D+00 0.000000D+00
20 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
21 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
22 0.271901D-03 0.965717D-05 0.000000D+00 0.151829D-05 0.000000D+00
23 0.787690D-04 -0.264612D-04 0.000000D+00 0.000000D+00 0.000000D+00
24 -0.765378D-03 -0.209009D-04 0.000000D+00 0.574145D-05 0.135942D-05
25 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
26 0.000000D+00 0.000000D+00 0.000000D+00 0.741102D-03 0.984290D-05
27 0.000000D+00 0.276486D-02 0.000000D+00 0.000000D+00 0.000000D+00
28 0.469814D-02 0.984290D-05 0.108356D-04 0.000000D+00 0.000000D+00
29 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
30 0.420111D-02 0.729127D-01 0.441190D-02 0.000000D+00 0.000000D+00
31 0.823071D-02 -0.123531D+00 0.233685D-02 0.000000D+00 0.000000D+00
32 -0.366544D-02 -0.252284D-01 -0.910599D-02 0.000000D+00 0.000000D+00
33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
34 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
35 0.736572D-01 0.472378D-02 0.736198D-01 0.000000D+00 0.000000D+00
36 0.126292D+00 -0.922548D-02 -0.399481D-01 0.000000D+00 0.000000D+00
37 0.174197D-01 0.379135D-02 -0.120993D+00 0.000000D+00 0.000000D+00
38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
39 0.628247D+00 0.248158D-03 0.104756D-01 0.000000D+00 0.000000D+00
40 0.248158D-03 0.628247D+00 0.226699D-02 0.000000D+00 0.000000D+00
41 0.104756D-01 0.226699D-02 0.628247D+00 0.000000D+00 0.000000D+00
42 0.000000D+00 0.000000D+00 0.000000D+00 0.614289D+01 0.000000D+00
43 0.000000D+00 0.000000D+00 0.000000D+00 0.215555D+00 0.729127D-01
44 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.123531D+00
45 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.252284D-01
46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
47 0.000000D+00 0.000000D+00 0.000000D+00 0.582552D-01 0.628247D+00
48 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
49 0.000000D+00 0.000000D+00 0.000000D+00 0.410845D-01 0.472378D-02
50 0.000000D+00 0.000000D+00 0.000000D+00 0.443108D-01 0.922548D-02
51 0.000000D+00 0.000000D+00 0.000000D+00 -0.518713D-01 -0.379135D-02
52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
53 0.000000D+00 0.000000D+00 0.000000D+00 0.522629D-02 0.248158D-03
54 0.000000D+00 0.000000D+00 0.000000D+00 0.542505D-02 0.226699D-02
55 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
56 0.000000D+00 0.000000D+00 0.000000D+00 0.105091D-02 0.594654D-03
57 0.000000D+00 0.000000D+00 0.000000D+00 -0.756738D-03 0.211478D-03
58 0.000000D+00 0.000000D+00 0.000000D+00 0.253004D-02 0.156210D-02
59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
60 0.000000D+00 0.000000D+00 0.000000D+00 0.100324D-02 0.276486D-02
16 17 18 19 20
1 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
2 0.964917D-03 0.264980D-03 0.825086D-05 0.339472D-01 0.373282D-02
3 -0.518801D-03 -0.429464D-03 -0.160669D-05 0.418416D-01 0.781835D-02
4 0.238943D-02 0.616510D-03 0.289974D-04 -0.377648D-01 -0.222790D-02
5 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
6 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
7 0.883733D-04 0.271901D-03 0.000000D+00 0.146112D-02 0.141069D-04
8 0.701183D-04 -0.787690D-04 0.000000D+00 0.348495D-02 0.482642D-04
9 0.261964D-03 0.765378D-03 0.000000D+00 -0.675950D-03 -0.151455D-05
10 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
11 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
12 0.000000D+00 0.000000D+00 0.000000D+00 0.314616D-03 0.000000D+00
13 0.000000D+00 0.000000D+00 0.000000D+00 0.831989D-03 0.333919D-05
14 0.000000D+00 0.000000D+00 0.000000D+00 0.286910D-03 0.114930D-05
15 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
16 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
17 0.000000D+00 0.000000D+00 0.000000D+00 0.134748D-02 0.129467D-04
18 0.000000D+00 0.000000D+00 0.000000D+00 0.214437D-02 0.340224D-04
19 0.000000D+00 0.000000D+00 0.000000D+00 0.251055D-02 0.287135D-04
20 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
21 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
22 0.000000D+00 0.000000D+00 0.000000D+00 0.356863D-01 0.388779D-02
23 0.000000D+00 0.000000D+00 0.000000D+00 0.110039D-01 0.505292D-02
24 0.000000D+00 0.000000D+00 0.000000D+00 0.581735D-01 0.673880D-02
25 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
26 0.756007D-03 0.469814D-02 0.108356D-04 0.677463D-04 0.000000D+00
27 0.000000D+00 0.000000D+00 0.000000D+00 0.857189D-05 0.000000D+00
28 0.000000D+00 0.000000D+00 0.000000D+00 0.497104D-02 0.202442D-02
29 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
30 0.000000D+00 0.000000D+00 0.000000D+00 0.128622D-05 0.000000D+00
31 0.000000D+00 0.000000D+00 0.000000D+00 0.247526D-05 0.000000D+00
32 0.000000D+00 0.000000D+00 0.000000D+00 0.426901D-05 0.000000D+00
33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
34 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
35 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
36 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
37 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
39 0.000000D+00 0.000000D+00 0.000000D+00 0.200998D-05 0.000000D+00
40 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
41 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
42 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
43 0.410845D-01 0.420111D-02 0.441190D-02 0.105091D-02 0.479161D-03
44 -0.443108D-01 -0.823071D-02 -0.233685D-02 0.756738D-03 0.841839D-03
45 0.518713D-01 0.366544D-02 0.910599D-02 -0.253004D-02 -0.983262D-03
46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
47 0.571519D-02 0.248158D-03 0.226699D-02 0.118208D-02 0.276486D-02
48 0.614289D+01 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
49 0.215555D+00 0.736572D-01 0.736198D-01 0.183491D-05 0.000000D+00
50 0.000000D+00 -0.126292D+00 0.399481D-01 0.291937D-05 0.000000D+00
51 0.000000D+00 -0.174197D-01 0.120993D+00 -0.628784D-05 -0.108410D-05
52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
53 0.588854D-01 0.628247D+00 0.104756D-01 0.163471D-05 0.000000D+00
54 0.588537D-01 0.104756D-01 0.628247D+00 0.000000D+00 0.000000D+00
55 0.000000D+00 0.000000D+00 0.000000D+00 0.614289D+01 0.000000D+00
56 0.183491D-05 0.000000D+00 0.000000D+00 0.215555D+00 0.732128D-01
57 -0.291937D-05 0.000000D+00 0.000000D+00 0.000000D+00 0.119815D+00
58 0.628784D-05 0.000000D+00 0.000000D+00 0.000000D+00 0.410366D-01
59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
60 0.418482D-05 0.000000D+00 0.000000D+00 0.585090D-01 0.628247D+00
Leave Link 303 at Thu Apr 5 09:06:03 2018, MaxMem= 52428800 cpu: 0.0 elap: 0.0
(Enter /software/Gaussian16/g16_sse4/g16/l401.exe)
Initial guess from the checkpoint file: "PhCCCC.chk"
B after Tr= 0.000000 0.000000 -0.000000
Rot= 1.000000 0.000000 0.000000 -0.000000 Ang= 0.00 deg.
Guess basis will be translated and rotated to current coordinates.
JPrj=2 DoOrth=T DoCkMO=T.
Initial guess orbital symmetries:
Occupied (BU) (AG) (BU) (AG) (BU) (AG) (BU) (AG) (BU) (AG)
(AG) (BU) (AG) (BU) (BU) (AG) (AG) (BU) (AG) (AG)
(BU) (BU) (BU) (AG) (BU) (BU) (AG) (AU) (BU) (AG)
(AG) (BG) (AU) (BG) (BG)
Virtual (AU) (AU) (BG) (AU) (BG) (AG) (BU) (BU) (AG) (AG)
(BU) (BU) (AG) (BU) (AG) (AG) (BU) (AG) (BU) (BU)
(AG) (AG) (BU) (AG) (BU)
The electronic state of the initial guess is 1-AG.
Leave Link 401 at Thu Apr 5 09:06:03 2018, MaxMem= 52428800 cpu: 0.1 elap: 0.1
(Enter /software/Gaussian16/g16_sse4/g16/l502.exe)
Keep R1 ints in memory in symmetry-blocked form, NReq=2566258.
FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0
NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T
wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0
NMat0= 1 NMatS0= 1830 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0
Petite list used in FoFCou.
Closed shell SCF:
Using DIIS extrapolation, IDIIS= 1040.
NGot= 52428800 LenX= 51908911 LenY= 51904870
Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
Requested convergence on MAX density matrix=1.00D-06.
Requested convergence on energy=1.00D-06.
No special actions if energy rises.
Cycle 1 Pass 1 IDiag 1:
E= -382.308266602015
DIIS: error= 5.98D-09 at cycle 1 NSaved= 1.
NSaved= 1 IEnMin= 1 EnMin= -382.308266602015 IErMin= 1 ErrMin= 5.98D-09
ErrMax= 5.98D-09 0.00D+00 EMaxC= 1.00D-01 BMatC= 1.54D-15 BMatP= 1.54D-15
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
Coeff-Com: 0.100D+01
Coeff: 0.100D+01
Gap= 0.191 Goal= None Shift= 0.000
RMSDP=1.87D-09 MaxDP=2.98D-08 OVMax= 1.76D-08
SCF Done: E(RB3LYP) = -382.308266602 A.U. after 1 cycles
NFock= 1 Conv=0.19D-08 -V/T= 2.0172
KE= 3.758473006349D+02 PE=-1.776406417466D+03 EE= 5.723556355860D+02
Leave Link 502 at Thu Apr 5 09:06:04 2018, MaxMem= 52428800 cpu: 1.0 elap: 1.0
(Enter /software/Gaussian16/g16_sse4/g16/l601.exe)
Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.
**********************************************************************
Population analysis using the SCF density.
**********************************************************************
Orbital symmetries:
Occupied (BU) (AG) (BU) (AG) (BU) (AG) (BU) (AG) (BU) (AG)
(AG) (BU) (AG) (BU) (BU) (AG) (AG) (BU) (AG) (AG)
(BU) (BU) (BU) (AG) (BU) (BU) (AG) (AU) (BU) (AG)
(AG) (BG) (AU) (BG) (BG)
Virtual (AU) (AU) (BG) (AU) (BG) (AG) (BU) (BU) (AG) (AG)
(BU) (BU) (AG) (BU) (AG) (AG) (BU) (AG) (BU) (BU)
(AG) (AG) (BU) (AG) (BU)
The electronic state is 1-AG.
Alpha occ. eigenvalues -- -10.02022 -10.02017 -10.00811 -10.00811 -10.00679
Alpha occ. eigenvalues -- -10.00678 -10.00605 -10.00591 -9.99233 -9.99233
Alpha occ. eigenvalues -- -0.80951 -0.75398 -0.71797 -0.69979 -0.66751
Alpha occ. eigenvalues -- -0.58869 -0.55892 -0.53166 -0.51018 -0.45745
Alpha occ. eigenvalues -- -0.43936 -0.41061 -0.39795 -0.39607 -0.37397
Alpha occ. eigenvalues -- -0.35115 -0.34729 -0.32451 -0.31125 -0.29279
Alpha occ. eigenvalues -- -0.28745 -0.26354 -0.21245 -0.19505 -0.15308
Alpha virt. eigenvalues -- 0.03742 0.09037 0.11061 0.18220 0.27253
Alpha virt. eigenvalues -- 0.33223 0.34074 0.37937 0.38145 0.41097
Alpha virt. eigenvalues -- 0.41196 0.42674 0.43962 0.45274 0.47826
Alpha virt. eigenvalues -- 0.52626 0.54580 0.57601 0.59946 0.62500
Alpha virt. eigenvalues -- 0.63968 0.68283 0.71722 0.77955 0.79458
Molecular Orbital Coefficients:
1 2 3 4 5
(BU)--O (AG)--O (BU)--O (AG)--O (BU)--O
Eigenvalues -- -10.02022 -10.02017 -10.00811 -10.00811 -10.00679
1 1 C 1S 0.69930 0.69929 -0.02802 0.02823 0.02752
2 2S 0.03157 0.03136 0.00413 -0.00407 -0.00790
3 2PX -0.00005 0.00001 0.00078 -0.00077 0.00203
4 2PY -0.00091 -0.00064 0.00413 -0.00410 0.00284
5 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
6 2 C 1S -0.01914 -0.01939 0.00770 -0.01027 0.61236
7 2S -0.00771 -0.00688 0.00044 -0.00042 0.03034
8 2PX -0.00420 -0.00410 0.00013 -0.00021 0.00017
9 2PY -0.00123 -0.00166 -0.00008 0.00002 -0.00288
10 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
11 3 C 1S 0.01857 -0.01905 -0.00873 -0.01160 -0.33807
12 2S 0.00772 -0.00691 -0.00053 -0.00056 -0.02080
13 2PX 0.00346 -0.00324 -0.00013 -0.00019 -0.00119
14 2PY -0.00272 0.00308 -0.00000 0.00007 -0.00411
15 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
16 4 C 1S -0.69930 0.69929 0.02802 0.02823 -0.02752
17 2S -0.03157 0.03136 -0.00413 -0.00407 0.00790
18 2PX -0.00005 -0.00001 0.00078 0.00077 0.00203
19 2PY -0.00091 0.00064 0.00413 0.00410 0.00284
20 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
21 5 C 1S 0.01914 -0.01939 -0.00770 -0.01027 -0.61236
22 2S 0.00771 -0.00688 -0.00044 -0.00042 -0.03034
23 2PX -0.00420 0.00410 0.00013 0.00021 0.00017
24 2PY -0.00123 0.00166 -0.00008 -0.00002 -0.00288
25 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
26 6 H 1S 0.00033 0.00022 0.00006 -0.00006 -0.00564
27 7 H 1S -0.00033 0.00022 0.00008 0.00008 0.00322
28 8 H 1S -0.00033 0.00022 -0.00006 -0.00006 0.00564
29 9 C 1S 0.02742 -0.02778 0.69983 0.69974 -0.00995
30 2S 0.00672 -0.00679 0.03078 0.03077 -0.00056
31 2PX 0.00101 -0.00101 0.00072 0.00071 -0.00005
32 2PY 0.00395 -0.00399 -0.00109 -0.00110 0.00004
33 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
34 10 C 1S -0.00018 0.00019 -0.00811 -0.00811 0.00093
35 2S -0.00047 0.00048 -0.00761 -0.00761 0.00024
36 2PX -0.00001 0.00001 0.00296 0.00296 -0.00000
37 2PY -0.00028 0.00029 -0.00352 -0.00351 0.00012
38 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
39 11 H 1S 0.00015 -0.00014 0.00019 0.00019 -0.00016
40 12 H 1S -0.00033 0.00034 -0.00642 -0.00642 0.00014
41 13 H 1S 0.00003 -0.00003 0.00022 0.00022 0.00001
42 14 C 1S -0.02742 -0.02778 -0.69983 0.69974 0.00995
43 2S -0.00672 -0.00679 -0.03078 0.03077 0.00056
44 2PX 0.00101 0.00101 0.00072 -0.00071 -0.00005
45 2PY 0.00395 0.00399 -0.00109 0.00110 0.00004
46 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
47 15 H 1S 0.00033 0.00034 0.00642 -0.00642 -0.00014
48 16 C 1S 0.00018 0.00019 0.00811 -0.00811 -0.00093
49 2S 0.00047 0.00048 0.00761 -0.00761 -0.00024
50 2PX -0.00001 -0.00001 0.00296 -0.00296 -0.00000
51 2PY -0.00028 -0.00029 -0.00352 0.00351 0.00012
52 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
53 17 H 1S -0.00015 -0.00014 -0.00019 0.00019 0.00016
54 18 H 1S -0.00003 -0.00003 -0.00022 0.00022 -0.00001
55 19 C 1S -0.01857 -0.01905 0.00873 -0.01160 0.33807
56 2S -0.00772 -0.00691 0.00053 -0.00056 0.02080
57 2PX 0.00346 0.00324 -0.00013 0.00019 -0.00119
58 2PY -0.00272 -0.00308 -0.00000 -0.00007 -0.00411
59 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
60 20 H 1S 0.00033 0.00022 -0.00008 0.00008 -0.00322
6 7 8 9 10
(AG)--O (BU)--O (AG)--O (BU)--O (AG)--O
Eigenvalues -- -10.00678 -10.00605 -10.00591 -9.99233 -9.99233
1 1 C 1S 0.00704 -0.00754 0.02836 -0.00018 0.00018
2 2S -0.00176 0.00228 -0.00732 -0.00016 0.00016
3 2PX 0.00519 0.00472 -0.00064 0.00002 -0.00002
4 2PY -0.00028 -0.00184 0.00316 -0.00005 0.00005
5 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
6 2 C 1S 0.59722 0.33942 0.36542 -0.00079 0.00085
7 2S 0.02971 0.00919 0.01047 0.00001 -0.00004
8 2PX -0.00005 0.00100 0.00075 0.00001 -0.00001
9 2PY -0.00284 0.00343 0.00338 0.00010 -0.00009
10 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
11 3 C 1S -0.36514 0.61312 0.59739 0.00028 0.00058
12 2S -0.02168 0.02390 0.02282 -0.00000 -0.00006
13 2PX -0.00111 0.00036 -0.00006 -0.00000 -0.00002
14 2PY -0.00392 -0.00165 -0.00186 0.00008 0.00003
15 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
16 4 C 1S 0.00704 0.00754 0.02836 0.00018 0.00018
17 2S -0.00176 -0.00228 -0.00732 0.00016 0.00016
18 2PX -0.00519 0.00472 0.00064 0.00002 0.00002
19 2PY 0.00028 -0.00184 -0.00316 -0.00005 -0.00005
20 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
21 5 C 1S 0.59722 -0.33942 0.36542 0.00079 0.00085
22 2S 0.02971 -0.00919 0.01047 -0.00001 -0.00004
23 2PX 0.00005 0.00100 -0.00075 0.00001 0.00001
24 2PY 0.00284 0.00343 -0.00338 0.00010 0.00009
25 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
26 6 H 1S -0.00551 -0.00291 -0.00333 -0.00010 0.00010
27 7 H 1S 0.00339 -0.00544 -0.00546 -0.00001 -0.00002
28 8 H 1S -0.00551 0.00291 -0.00333 0.00010 0.00010
29 9 C 1S 0.00244 0.00365 0.01422 0.00900 0.00900
30 2S 0.00010 0.00021 0.00062 -0.00689 -0.00689
31 2PX 0.00011 -0.00000 0.00000 -0.00300 -0.00300
32 2PY -0.00006 -0.00003 -0.00017 0.00345 0.00345
33 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
34 10 C 1S -0.00044 0.00009 -0.00108 0.70048 0.70048
35 2S -0.00010 -0.00005 -0.00028 0.03086 0.03086
36 2PX -0.00002 0.00005 0.00004 -0.00087 -0.00087
37 2PY -0.00004 -0.00002 -0.00017 0.00094 0.00094
38 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
39 11 H 1S 0.00016 -0.00006 0.00007 -0.00636 -0.00636
40 12 H 1S -0.00005 -0.00006 -0.00022 0.00004 0.00004
41 13 H 1S -0.00001 0.00001 -0.00001 -0.00637 -0.00637
42 14 C 1S 0.00244 -0.00365 0.01422 -0.00900 0.00900
43 2S 0.00010 -0.00021 0.00062 0.00689 -0.00689
44 2PX -0.00011 -0.00000 -0.00000 -0.00300 0.00300
45 2PY 0.00006 -0.00003 0.00017 0.00345 -0.00345
46 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
47 15 H 1S -0.00005 0.00006 -0.00022 -0.00004 0.00004
48 16 C 1S -0.00044 -0.00009 -0.00108 -0.70048 0.70048
49 2S -0.00010 0.00005 -0.00028 -0.03086 0.03086
50 2PX 0.00002 0.00005 -0.00004 -0.00087 0.00087
51 2PY 0.00004 -0.00002 0.00017 0.00094 -0.00094
52 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
53 17 H 1S 0.00016 0.00006 0.00007 0.00636 -0.00636
54 18 H 1S -0.00001 -0.00001 -0.00001 0.00637 -0.00637
55 19 C 1S -0.36514 -0.61312 0.59739 -0.00028 0.00058
56 2S -0.02168 -0.02390 0.02282 0.00000 -0.00006
57 2PX 0.00111 0.00036 0.00006 -0.00000 0.00002
58 2PY 0.00392 -0.00165 0.00186 0.00008 -0.00003
59 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
60 20 H 1S 0.00339 0.00544 -0.00546 0.00001 -0.00002
11 12 13 14 15
(AG)--O (BU)--O (AG)--O (BU)--O (BU)--O
Eigenvalues -- -0.80951 -0.75398 -0.71797 -0.69979 -0.66751
1 1 C 1S -0.10783 0.10361 -0.00467 0.01217 -0.09967
2 2S 0.27462 -0.27389 0.01517 -0.03295 0.27407
3 2PX -0.00660 -0.00516 0.01294 -0.12431 -0.01873
4 2PY -0.04077 -0.03272 0.09590 0.02548 -0.05625
5 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
6 2 C 1S -0.09762 0.04290 0.04178 -0.12039 -0.07277
7 2S 0.24677 -0.11278 -0.10903 0.32474 0.20068
8 2PX 0.04510 -0.04581 -0.00090 -0.03614 0.05548
9 2PY -0.03263 -0.04538 0.04730 -0.06492 0.04570
10 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
11 3 C 1S -0.09788 -0.03892 0.04622 -0.13215 0.04130
12 2S 0.24701 0.10185 -0.12118 0.35663 -0.11414
13 2PX 0.05351 0.02586 -0.01692 -0.00278 -0.03555
14 2PY 0.01324 -0.05977 -0.03673 0.05670 0.09218
15 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
16 4 C 1S -0.10783 -0.10361 -0.00467 -0.01217 0.09967
17 2S 0.27462 0.27389 0.01517 0.03295 -0.27407
18 2PX 0.00660 -0.00516 -0.01294 -0.12431 -0.01873
19 2PY 0.04077 -0.03272 -0.09590 0.02548 -0.05625
20 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
21 5 C 1S -0.09762 -0.04290 0.04178 0.12039 0.07277
22 2S 0.24677 0.11278 -0.10903 -0.32474 -0.20068
23 2PX -0.04510 -0.04581 0.00090 -0.03614 0.05548
24 2PY 0.03263 -0.04538 -0.04730 -0.06492 0.04570
25 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
26 6 H 1S 0.04510 -0.03057 -0.01681 0.09020 0.05280
27 7 H 1S 0.04496 0.02683 -0.02325 0.09831 -0.03267
28 8 H 1S 0.04510 0.03057 -0.01681 -0.09020 -0.05280
29 9 C 1S -0.04968 -0.11385 -0.11930 -0.00054 -0.05164
30 2S 0.12773 0.29726 0.31498 0.00215 0.13687
31 2PX 0.01351 0.03423 0.04376 -0.02234 0.03612
32 2PY 0.02816 0.00775 -0.05842 0.01864 -0.12994
33 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
34 10 C 1S -0.02462 -0.08069 -0.11743 0.01403 -0.11035
35 2S 0.06256 0.20923 0.30969 -0.03669 0.29971
36 2PX -0.01190 -0.03610 -0.04782 -0.00186 -0.03410
37 2PY 0.02060 0.05072 0.05387 -0.00613 0.01717
38 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
39 11 H 1S 0.01406 0.04846 0.07409 -0.01442 0.07750
40 12 H 1S 0.02565 0.06715 0.07662 0.01014 0.03744
41 13 H 1S 0.01057 0.04372 0.07488 -0.00863 0.09005
42 14 C 1S -0.04968 0.11385 -0.11930 0.00054 0.05164
43 2S 0.12773 -0.29726 0.31498 -0.00215 -0.13687
44 2PX -0.01351 0.03423 -0.04376 -0.02234 0.03612
45 2PY -0.02816 0.00775 0.05842 0.01864 -0.12994
46 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
47 15 H 1S 0.02565 -0.06715 0.07662 -0.01014 -0.03744
48 16 C 1S -0.02462 0.08069 -0.11743 -0.01403 0.11035
49 2S 0.06256 -0.20923 0.30969 0.03669 -0.29971
50 2PX 0.01190 -0.03610 0.04782 -0.00186 -0.03410
51 2PY -0.02060 0.05072 -0.05387 -0.00613 0.01717
52 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
53 17 H 1S 0.01406 -0.04846 0.07409 0.01442 -0.07750
54 18 H 1S 0.01057 -0.04372 0.07488 0.00863 -0.09005
55 19 C 1S -0.09788 0.03892 0.04622 0.13215 -0.04130
56 2S 0.24701 -0.10185 -0.12118 -0.35663 0.11414
57 2PX -0.05351 0.02586 0.01692 -0.00278 -0.03555
58 2PY -0.01324 -0.05977 0.03673 0.05670 0.09218
59 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
60 20 H 1S 0.04496 -0.02683 -0.02325 -0.09831 0.03267
16 17 18 19 20
(AG)--O (AG)--O (BU)--O (AG)--O (AG)--O
Eigenvalues -- -0.58869 -0.55892 -0.53166 -0.51018 -0.45745
1 1 C 1S 0.07123 0.05403 -0.01327 -0.05452 -0.03233
2 2S -0.20700 -0.15992 0.03784 0.16203 0.10658
3 2PX -0.12153 0.18433 -0.05699 0.01646 0.05419
4 2PY -0.06962 -0.06756 -0.13409 -0.14291 0.13148
5 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
6 2 C 1S -0.08138 0.05795 -0.03038 0.05250 0.01946
7 2S 0.23219 -0.17211 0.09199 -0.16681 -0.05511
8 2PX -0.06639 -0.09054 0.03828 0.20119 -0.08216
9 2PY -0.02280 -0.16795 0.07709 -0.04143 0.13792
10 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
11 3 C 1S 0.00231 -0.11047 0.05070 0.00656 -0.01316
12 2S -0.00804 0.32616 -0.15451 -0.02415 0.05092
13 2PX -0.02624 -0.08286 -0.00527 0.18154 -0.14069
14 2PY 0.16034 -0.03584 0.00546 -0.09312 -0.13758
15 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
16 4 C 1S 0.07123 0.05403 0.01327 -0.05452 -0.03233
17 2S -0.20700 -0.15992 -0.03784 0.16203 0.10658
18 2PX 0.12153 -0.18433 -0.05699 -0.01646 -0.05419
19 2PY 0.06962 0.06756 -0.13409 0.14291 -0.13148
20 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
21 5 C 1S -0.08138 0.05795 0.03038 0.05250 0.01946
22 2S 0.23219 -0.17211 -0.09199 -0.16681 -0.05511
23 2PX 0.06639 0.09054 0.03828 -0.20119 0.08216
24 2PY 0.02280 0.16795 0.07709 0.04143 -0.13792
25 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
26 6 H 1S 0.10547 -0.08358 0.05477 -0.16971 0.09071
27 7 H 1S -0.01855 0.16973 -0.05024 -0.09823 0.13596
28 8 H 1S 0.10547 -0.08358 -0.05477 -0.16971 0.09071
29 9 C 1S 0.05303 0.00721 -0.09883 0.05919 0.04006
30 2S -0.15950 -0.02342 0.30261 -0.18090 -0.12728
31 2PX 0.07800 -0.04939 -0.11502 0.06451 0.11945
32 2PY -0.13198 -0.07558 0.04435 -0.00004 0.18187
33 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
34 10 C 1S -0.08417 -0.03709 0.08081 -0.05147 -0.01681
35 2S 0.24273 0.11122 -0.24930 0.16317 0.06315
36 2PX 0.03433 -0.01533 -0.12039 0.07723 0.21306
37 2PY -0.03960 -0.04880 0.09469 -0.08369 0.00364
38 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
39 11 H 1S 0.10370 0.02207 -0.16035 0.09498 0.17904
40 12 H 1S -0.08013 0.03295 0.17057 -0.11255 -0.15272
41 13 H 1S 0.09841 0.06698 -0.12488 0.09696 -0.02169
42 14 C 1S 0.05303 0.00721 0.09883 0.05919 0.04006
43 2S -0.15950 -0.02342 -0.30261 -0.18090 -0.12728
44 2PX -0.07800 0.04939 -0.11502 -0.06451 -0.11945
45 2PY 0.13198 0.07558 0.04435 0.00004 -0.18187
46 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
47 15 H 1S -0.08013 0.03295 -0.17057 -0.11255 -0.15272
48 16 C 1S -0.08417 -0.03709 -0.08081 -0.05147 -0.01681
49 2S 0.24273 0.11122 0.24930 0.16317 0.06315
50 2PX -0.03433 0.01533 -0.12039 -0.07723 -0.21306
51 2PY 0.03960 0.04880 0.09469 0.08369 -0.00364
52 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
53 17 H 1S 0.10370 0.02207 0.16035 0.09498 0.17904
54 18 H 1S 0.09841 0.06698 0.12488 0.09696 -0.02169
55 19 C 1S 0.00231 -0.11047 -0.05070 0.00656 -0.01316
56 2S -0.00804 0.32616 0.15451 -0.02415 0.05092
57 2PX 0.02624 0.08286 -0.00527 -0.18154 0.14069
58 2PY -0.16034 0.03584 0.00546 0.09312 0.13758
59 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
60 20 H 1S -0.01855 0.16973 0.05024 -0.09823 0.13596
21 22 23 24 25
(BU)--O (BU)--O (BU)--O (AG)--O (BU)--O
Eigenvalues -- -0.43936 -0.41061 -0.39795 -0.39607 -0.37397
1 1 C 1S 0.02308 -0.06917 -0.02270 0.02163 0.00326
2 2S -0.07909 0.23438 0.07717 -0.07144 -0.01143
3 2PX 0.12230 0.10039 -0.22271 -0.01572 -0.08373
4 2PY -0.13790 -0.02871 -0.13895 -0.00966 0.08003
5 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
6 2 C 1S -0.04236 0.04411 -0.01170 0.01835 -0.02013
7 2S 0.13818 -0.15328 0.03635 -0.06837 0.06372
8 2PX -0.10012 0.10973 0.25220 0.03398 0.18269
9 2PY -0.09907 -0.18142 0.04942 -0.13691 -0.22926
10 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
11 3 C 1S 0.02223 -0.04765 0.00112 -0.02533 -0.02854
12 2S -0.07486 0.16387 -0.00095 0.08464 0.09089
13 2PX 0.02279 -0.21854 -0.00695 0.00796 0.31219
14 2PY 0.18431 0.06723 -0.11878 0.08118 0.13786
15 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
16 4 C 1S -0.02308 0.06917 0.02270 0.02163 -0.00326
17 2S 0.07909 -0.23438 -0.07717 -0.07144 0.01143
18 2PX 0.12230 0.10039 -0.22271 0.01572 -0.08373
19 2PY -0.13790 -0.02871 -0.13895 0.00966 0.08003
20 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
21 5 C 1S 0.04236 -0.04411 0.01170 0.01835 0.02013
22 2S -0.13818 0.15328 -0.03635 -0.06837 -0.06372
23 2PX -0.10012 0.10973 0.25220 -0.03398 0.18269
24 2PY -0.09907 -0.18142 0.04942 0.13691 -0.22926
25 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
26 6 H 1S 0.06112 -0.23125 -0.13367 -0.11388 -0.21707
27 7 H 1S -0.10023 0.22528 0.03732 0.00665 -0.25365
28 8 H 1S -0.06112 0.23125 0.13367 -0.11388 0.21707
29 9 C 1S -0.01679 -0.01518 -0.00247 -0.02763 -0.00183
30 2S 0.05129 0.04180 0.01459 0.08053 0.00431
31 2PX 0.22207 0.03682 -0.03757 0.25013 -0.01906
32 2PY 0.09517 -0.12764 0.18320 -0.08847 -0.06467
33 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
34 10 C 1S 0.00804 0.01193 0.00102 -0.00449 0.00426
35 2S -0.03103 -0.04987 0.00769 0.00005 -0.01778
36 2PX 0.09543 -0.07371 0.25217 -0.00362 -0.07663
37 2PY 0.20735 0.13639 0.03156 0.33906 -0.00458
38 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
39 11 H 1S 0.07240 -0.04355 0.21581 0.02387 -0.05436
40 12 H 1S -0.15582 0.02643 0.01205 -0.14576 0.01486
41 13 H 1S -0.17747 -0.10494 -0.08731 -0.26204 0.01649
42 14 C 1S 0.01679 0.01518 0.00247 -0.02763 0.00183
43 2S -0.05129 -0.04180 -0.01459 0.08053 -0.00431
44 2PX 0.22207 0.03682 -0.03757 -0.25013 -0.01906
45 2PY 0.09517 -0.12764 0.18320 0.08847 -0.06467
46 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
47 15 H 1S 0.15582 -0.02643 -0.01205 -0.14576 -0.01486
48 16 C 1S -0.00804 -0.01193 -0.00102 -0.00449 -0.00426
49 2S 0.03103 0.04987 -0.00769 0.00005 0.01778
50 2PX 0.09543 -0.07371 0.25217 0.00362 -0.07663
51 2PY 0.20735 0.13639 0.03156 -0.33906 -0.00458
52 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
53 17 H 1S -0.07240 0.04355 -0.21581 0.02387 0.05436
54 18 H 1S 0.17747 0.10494 0.08731 -0.26204 -0.01649
55 19 C 1S -0.02223 0.04765 -0.00112 -0.02533 0.02854
56 2S 0.07486 -0.16387 0.00095 0.08464 -0.09089
57 2PX 0.02279 -0.21854 -0.00695 -0.00796 0.31219
58 2PY 0.18431 0.06723 -0.11878 -0.08118 0.13786
59 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
60 20 H 1S 0.10023 -0.22528 -0.03732 0.00665 0.25365
26 27 28 29 30
(BU)--O (AG)--O (AU)--O (BU)--O (AG)--O
Eigenvalues -- -0.35115 -0.34729 -0.32451 -0.31125 -0.29279
1 1 C 1S -0.00301 0.02516 0.00000 -0.01061 -0.00358
2 2S 0.01109 -0.09057 0.00000 0.04611 0.02343
3 2PX -0.16443 0.08731 0.00000 0.09747 -0.11893
4 2PY 0.18111 -0.00067 0.00000 0.24012 0.27307
5 2PZ 0.00000 0.00000 0.33754 0.00000 0.00000
6 2 C 1S 0.00662 -0.00756 0.00000 0.01374 -0.00858
7 2S -0.01853 0.02543 0.00000 -0.04721 0.02360
8 2PX 0.07552 -0.06542 0.00000 -0.14315 0.07083
9 2PY 0.19287 -0.13955 0.00000 -0.00594 -0.23745
10 2PZ 0.00000 0.00000 0.29725 0.00000 0.00000
11 3 C 1S -0.01735 0.00530 0.00000 -0.00707 0.00228
12 2S 0.06278 -0.02691 0.00000 0.02192 -0.00740
13 2PX 0.09595 0.13063 0.00000 0.06702 -0.12230
14 2PY -0.22739 0.13200 0.00000 0.03989 0.28169
15 2PZ 0.00000 0.00000 0.29787 0.00000 0.00000
16 4 C 1S 0.00301 0.02516 0.00000 0.01061 -0.00358
17 2S -0.01109 -0.09057 0.00000 -0.04611 0.02343
18 2PX -0.16443 -0.08731 0.00000 0.09747 0.11893
19 2PY 0.18111 0.00067 0.00000 0.24012 -0.27307
20 2PZ 0.00000 0.00000 0.33754 0.00000 0.00000
21 5 C 1S -0.00662 -0.00756 0.00000 -0.01374 -0.00858
22 2S 0.01853 0.02543 0.00000 0.04721 0.02360
23 2PX 0.07552 0.06542 0.00000 -0.14315 -0.07083
24 2PY 0.19287 0.13955 0.00000 -0.00594 0.23745
25 2PZ 0.00000 0.00000 0.29725 0.00000 0.00000
26 6 H 1S 0.04717 0.00588 0.00000 0.05258 -0.23783
27 7 H 1S 0.00671 -0.15580 0.00000 -0.04752 0.01641
28 8 H 1S -0.04717 0.00588 0.00000 -0.05258 -0.23783
29 9 C 1S -0.00121 -0.01704 0.00000 0.00255 -0.01992
30 2S -0.01192 0.07184 0.00000 -0.00593 0.08283
31 2PX 0.19692 -0.20572 0.00000 -0.22093 0.05313
32 2PY -0.19106 0.09306 0.00000 -0.16444 0.24829
33 2PZ 0.00000 0.00000 0.17400 0.00000 0.00000
34 10 C 1S -0.02049 0.01045 0.00000 0.00344 0.00829
35 2S 0.05651 -0.02681 0.00000 -0.01422 -0.02121
36 2PX -0.11279 0.29666 0.00000 0.20248 0.02022
37 2PY 0.24806 0.04152 0.00000 0.13276 -0.14654
38 2PZ 0.00000 0.00000 0.09246 0.00000 0.00000
39 11 H 1S -0.05109 0.26810 0.00000 0.23063 -0.05568
40 12 H 1S -0.14600 0.19989 0.00000 0.25877 -0.07054
41 13 H 1S -0.15734 -0.14369 0.00000 -0.21305 0.13778
42 14 C 1S 0.00121 -0.01704 0.00000 -0.00255 -0.01992
43 2S 0.01192 0.07184 0.00000 0.00593 0.08283
44 2PX 0.19692 0.20572 0.00000 -0.22093 -0.05313
45 2PY -0.19106 -0.09306 0.00000 -0.16444 -0.24829
46 2PZ 0.00000 0.00000 0.17400 0.00000 0.00000
47 15 H 1S 0.14600 0.19989 0.00000 -0.25877 -0.07054
48 16 C 1S 0.02049 0.01045 0.00000 -0.00344 0.00829
49 2S -0.05651 -0.02681 0.00000 0.01422 -0.02121
50 2PX -0.11279 -0.29666 0.00000 0.20248 -0.02022
51 2PY 0.24806 -0.04152 0.00000 0.13276 0.14654
52 2PZ 0.00000 0.00000 0.09246 0.00000 0.00000
53 17 H 1S 0.05109 0.26810 0.00000 -0.23063 -0.05568
54 18 H 1S 0.15734 -0.14369 0.00000 0.21305 0.13778
55 19 C 1S 0.01735 0.00530 0.00000 0.00707 0.00228
56 2S -0.06278 -0.02691 0.00000 -0.02192 -0.00740
57 2PX 0.09595 -0.13063 0.00000 0.06702 0.12230
58 2PY -0.22739 -0.13200 0.00000 0.03989 -0.28169
59 2PZ 0.00000 0.00000 0.29787 0.00000 0.00000
60 20 H 1S -0.00671 -0.15580 0.00000 0.04752 0.01641
31 32 33 34 35
(AG)--O (BG)--O (AU)--O (BG)--O (BG)--O
Eigenvalues -- -0.28745 -0.26354 -0.21245 -0.19505 -0.15308
1 1 C 1S -0.00708 0.00000 0.00000 0.00000 0.00000
2 2S 0.03413 0.00000 0.00000 0.00000 0.00000
3 2PX 0.30066 0.00000 0.00000 0.00000 0.00000
4 2PY 0.08245 0.00000 0.00000 0.00000 0.00000
5 2PZ 0.00000 -0.34892 -0.01793 -0.00478 0.38758
6 2 C 1S 0.00797 0.00000 0.00000 0.00000 0.00000
7 2S -0.02300 0.00000 0.00000 0.00000 0.00000
8 2PX -0.28366 0.00000 0.00000 0.00000 0.00000
9 2PY -0.08610 0.00000 0.00000 0.00000 0.00000
10 2PZ 0.00000 -0.13283 -0.17673 0.45818 0.22874
11 3 C 1S -0.01197 0.00000 0.00000 0.00000 0.00000
12 2S 0.03540 0.00000 0.00000 0.00000 0.00000
13 2PX 0.22617 0.00000 0.00000 0.00000 0.00000
14 2PY 0.03865 0.00000 0.00000 0.00000 0.00000
15 2PZ 0.00000 0.13076 -0.17918 0.46308 -0.21704
16 4 C 1S -0.00708 0.00000 0.00000 0.00000 0.00000
17 2S 0.03413 0.00000 0.00000 0.00000 0.00000
18 2PX -0.30066 0.00000 0.00000 0.00000 0.00000
19 2PY -0.08245 0.00000 0.00000 0.00000 0.00000
20 2PZ 0.00000 0.34892 -0.01793 0.00478 -0.38758
21 5 C 1S 0.00797 0.00000 0.00000 0.00000 0.00000
22 2S -0.02300 0.00000 0.00000 0.00000 0.00000
23 2PX 0.28366 0.00000 0.00000 0.00000 0.00000
24 2PY 0.08610 0.00000 0.00000 0.00000 0.00000
25 2PZ 0.00000 0.13283 -0.17673 -0.45818 -0.22874
26 6 H 1S 0.15600 0.00000 0.00000 0.00000 0.00000
27 7 H 1S -0.25907 0.00000 0.00000 0.00000 0.00000
28 8 H 1S 0.15600 0.00000 0.00000 0.00000 0.00000
29 9 C 1S -0.01074 0.00000 0.00000 0.00000 0.00000
30 2S 0.03688 0.00000 0.00000 0.00000 0.00000
31 2PX 0.13800 0.00000 0.00000 0.00000 0.00000
32 2PY 0.10463 0.00000 0.00000 0.00000 0.00000
33 2PZ 0.00000 0.37654 0.41380 0.00212 0.22363
34 10 C 1S -0.00480 0.00000 0.00000 0.00000 0.00000
35 2S 0.01871 0.00000 0.00000 0.00000 0.00000
36 2PX -0.10974 0.00000 0.00000 0.00000 0.00000
37 2PY -0.03244 0.00000 0.00000 0.00000 0.00000
38 2PZ 0.00000 0.27140 0.41788 -0.00748 0.39739
39 11 H 1S -0.11401 0.00000 0.00000 0.00000 0.00000
40 12 H 1S -0.18088 0.00000 0.00000 0.00000 0.00000
41 13 H 1S 0.08719 0.00000 0.00000 0.00000 0.00000
42 14 C 1S -0.01074 0.00000 0.00000 0.00000 0.00000
43 2S 0.03688 0.00000 0.00000 0.00000 0.00000
44 2PX -0.13800 0.00000 0.00000 0.00000 0.00000
45 2PY -0.10463 0.00000 0.00000 0.00000 0.00000
46 2PZ 0.00000 -0.37654 0.41380 -0.00212 -0.22363
47 15 H 1S -0.18088 0.00000 0.00000 0.00000 0.00000
48 16 C 1S -0.00480 0.00000 0.00000 0.00000 0.00000
49 2S 0.01871 0.00000 0.00000 0.00000 0.00000
50 2PX 0.10974 0.00000 0.00000 0.00000 0.00000
51 2PY 0.03244 0.00000 0.00000 0.00000 0.00000
52 2PZ 0.00000 -0.27140 0.41788 0.00748 -0.39739
53 17 H 1S -0.11401 0.00000 0.00000 0.00000 0.00000
54 18 H 1S 0.08719 0.00000 0.00000 0.00000 0.00000
55 19 C 1S -0.01197 0.00000 0.00000 0.00000 0.00000
56 2S 0.03540 0.00000 0.00000 0.00000 0.00000
57 2PX -0.22617 0.00000 0.00000 0.00000 0.00000
58 2PY -0.03865 0.00000 0.00000 0.00000 0.00000
59 2PZ 0.00000 -0.13076 -0.17918 -0.46308 0.21704
60 20 H 1S -0.25907 0.00000 0.00000 0.00000 0.00000
36 37 38 39 40
(AU)--V (AU)--V (BG)--V (AU)--V (BG)--V
Eigenvalues -- 0.03742 0.09037 0.11061 0.18220 0.27253
1 1 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000
2 2S 0.00000 0.00000 0.00000 0.00000 0.00000
3 2PX 0.00000 0.00000 0.00000 0.00000 0.00000
4 2PY 0.00000 0.00000 0.00000 0.00000 0.00000
5 2PZ -0.44247 -0.03150 0.02315 -0.49755 0.54354
6 2 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000
7 2S 0.00000 0.00000 0.00000 0.00000 0.00000
8 2PX 0.00000 0.00000 0.00000 0.00000 0.00000
9 2PY 0.00000 0.00000 0.00000 0.00000 0.00000
10 2PZ 0.27652 -0.55355 -0.23200 0.19983 -0.46726
11 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000
12 2S 0.00000 0.00000 0.00000 0.00000 0.00000
13 2PX 0.00000 0.00000 0.00000 0.00000 0.00000
14 2PY 0.00000 0.00000 0.00000 0.00000 0.00000
15 2PZ 0.23295 0.58258 0.24055 0.16629 0.46418
16 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000
17 2S 0.00000 0.00000 0.00000 0.00000 0.00000
18 2PX 0.00000 0.00000 0.00000 0.00000 0.00000
19 2PY 0.00000 0.00000 0.00000 0.00000 0.00000
20 2PZ -0.44247 -0.03150 -0.02315 -0.49755 -0.54354
21 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000
22 2S 0.00000 0.00000 0.00000 0.00000 0.00000
23 2PX 0.00000 0.00000 0.00000 0.00000 0.00000
24 2PY 0.00000 0.00000 0.00000 0.00000 0.00000
25 2PZ 0.27652 -0.55355 0.23200 0.19983 0.46726
26 6 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000
27 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000
28 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000
29 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000
30 2S 0.00000 0.00000 0.00000 0.00000 0.00000
31 2PX 0.00000 0.00000 0.00000 0.00000 0.00000
32 2PY 0.00000 0.00000 0.00000 0.00000 0.00000
33 2PZ -0.25634 0.00464 -0.52225 0.52901 0.28756
34 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000
35 2S 0.00000 0.00000 0.00000 0.00000 0.00000
36 2PX 0.00000 0.00000 0.00000 0.00000 0.00000
37 2PY 0.00000 0.00000 0.00000 0.00000 0.00000
38 2PZ 0.44993 0.00970 0.52319 -0.37942 -0.15589
39 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000
40 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000
41 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000
42 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000
43 2S 0.00000 0.00000 0.00000 0.00000 0.00000
44 2PX 0.00000 0.00000 0.00000 0.00000 0.00000
45 2PY 0.00000 0.00000 0.00000 0.00000 0.00000
46 2PZ -0.25634 0.00464 0.52225 0.52901 -0.28756
47 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000
48 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000
49 2S 0.00000 0.00000 0.00000 0.00000 0.00000
50 2PX 0.00000 0.00000 0.00000 0.00000 0.00000
51 2PY 0.00000 0.00000 0.00000 0.00000 0.00000
52 2PZ 0.44993 0.00970 -0.52319 -0.37942 0.15589
53 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000
54 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000
55 19 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000
56 2S 0.00000 0.00000 0.00000 0.00000 0.00000
57 2PX 0.00000 0.00000 0.00000 0.00000 0.00000
58 2PY 0.00000 0.00000 0.00000 0.00000 0.00000
59 2PZ 0.23295 0.58258 -0.24055 0.16629 -0.46418
60 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000
41 42 43 44 45
(AG)--V (BU)--V (BU)--V (AG)--V (AG)--V
Eigenvalues -- 0.33223 0.34074 0.37937 0.38145 0.41097
1 1 C 1S 0.06828 -0.03448 -0.05774 0.02315 0.05134
2 2S -0.40194 0.20246 0.33498 -0.13961 -0.31001
3 2PX -0.09536 0.28739 -0.08779 -0.09896 0.25823
4 2PY -0.27008 0.12968 0.46268 0.07860 -0.16113
5 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
6 2 C 1S 0.04639 0.01586 0.00438 -0.02117 -0.10103
7 2S -0.28015 -0.09629 -0.01910 0.13490 0.61747
8 2PX 0.19928 0.28238 -0.26237 -0.17032 0.03933
9 2PY -0.12811 0.00062 0.32989 0.21315 -0.01475
10 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
11 3 C 1S 0.02801 -0.00632 -0.02499 -0.06448 0.07364
12 2S -0.17249 0.03092 0.15221 0.39382 -0.45052
13 2PX 0.30652 0.35548 -0.12901 -0.00683 0.04171
14 2PY 0.04476 0.00125 0.23403 -0.12553 -0.16186
15 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
16 4 C 1S 0.06828 0.03448 0.05774 0.02315 0.05134
17 2S -0.40194 -0.20246 -0.33498 -0.13961 -0.31001
18 2PX 0.09536 0.28739 -0.08779 0.09896 -0.25823
19 2PY 0.27008 0.12968 0.46268 -0.07860 0.16113
20 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
21 5 C 1S 0.04639 -0.01586 -0.00438 -0.02117 -0.10103
22 2S -0.28015 0.09629 0.01910 0.13490 0.61747
23 2PX -0.19928 0.28238 -0.26237 0.17032 -0.03933
24 2PY 0.12811 0.00062 0.32989 -0.21315 0.01475
25 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
26 6 H 1S 0.42297 0.26811 -0.41184 -0.30087 -0.22052
27 7 H 1S 0.41326 0.31962 -0.11863 -0.29386 0.22910
28 8 H 1S 0.42297 -0.26811 0.41184 -0.30087 -0.22052
29 9 C 1S -0.04920 0.00766 -0.09280 0.06357 -0.02406
30 2S 0.27736 -0.04700 0.54232 -0.38229 0.15331
31 2PX 0.25532 0.35055 0.06635 0.33547 -0.13664
32 2PY 0.33284 0.21055 0.33085 0.06465 0.23640
33 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
34 10 C 1S 0.03978 0.00256 0.04970 -0.02109 -0.10409
35 2S -0.23028 -0.01932 -0.29029 0.11802 0.65174
36 2PX 0.14545 0.30712 0.10576 0.31010 0.23141
37 2PY 0.14483 0.16030 0.13755 0.22907 -0.08506
38 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
39 11 H 1S -0.11371 -0.32399 -0.01417 -0.39443 -0.51157
40 12 H 1S 0.14919 0.43478 -0.15748 0.57579 -0.17163
41 13 H 1S 0.35652 0.28618 0.34651 0.24840 -0.32598
42 14 C 1S -0.04920 -0.00766 0.09280 0.06357 -0.02406
43 2S 0.27736 0.04700 -0.54232 -0.38229 0.15331
44 2PX -0.25532 0.35055 0.06635 -0.33547 0.13664
45 2PY -0.33284 0.21055 0.33085 -0.06465 -0.23640
46 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
47 15 H 1S 0.14919 -0.43478 0.15748 0.57579 -0.17163
48 16 C 1S 0.03978 -0.00256 -0.04970 -0.02109 -0.10409
49 2S -0.23028 0.01932 0.29029 0.11802 0.65174
50 2PX -0.14545 0.30712 0.10576 -0.31010 -0.23141
51 2PY -0.14483 0.16030 0.13755 -0.22907 0.08506
52 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
53 17 H 1S -0.11371 0.32399 0.01417 -0.39443 -0.51157
54 18 H 1S 0.35652 -0.28618 -0.34651 0.24840 -0.32598
55 19 C 1S 0.02801 0.00632 0.02499 -0.06448 0.07364
56 2S -0.17249 -0.03092 -0.15221 0.39382 -0.45052
57 2PX -0.30652 0.35548 -0.12901 0.00683 -0.04171
58 2PY -0.04476 0.00125 0.23403 0.12553 0.16186
59 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
60 20 H 1S 0.41326 -0.31962 0.11863 -0.29386 0.22910
46 47 48 49 50
(BU)--V (BU)--V (AG)--V (BU)--V (AG)--V
Eigenvalues -- 0.41196 0.42674 0.43962 0.45274 0.47826
1 1 C 1S 0.08149 0.02006 -0.12924 0.06175 0.03775
2 2S -0.47840 -0.12597 0.78426 -0.36711 -0.23583
3 2PX 0.11771 0.11906 -0.02326 -0.13858 -0.34754
4 2PY -0.01682 0.23986 -0.02837 0.11234 0.06081
5 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
6 2 C 1S -0.10156 -0.00560 0.06682 -0.06667 0.09703
7 2S 0.61421 0.02246 -0.41739 0.40866 -0.61532
8 2PX 0.00066 0.21261 -0.24039 -0.16481 0.14298
9 2PY 0.13627 0.10479 -0.24192 0.14492 0.17847
10 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
11 3 C 1S 0.07445 0.05762 0.07855 0.05894 -0.11214
12 2S -0.44265 -0.35745 -0.49042 -0.35691 0.70877
13 2PX 0.10358 0.32699 0.02155 -0.14064 0.09732
14 2PY -0.02063 0.30612 0.28102 0.13329 0.11141
15 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
16 4 C 1S -0.08149 -0.02006 -0.12924 -0.06175 0.03775
17 2S 0.47840 0.12597 0.78426 0.36711 -0.23583
18 2PX 0.11771 0.11906 0.02326 -0.13858 0.34754
19 2PY -0.01682 0.23986 0.02837 0.11234 -0.06081
20 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
21 5 C 1S 0.10156 0.00560 0.06682 0.06667 0.09703
22 2S -0.61421 -0.02246 -0.41739 -0.40866 -0.61532
23 2PX 0.00066 0.21261 0.24039 -0.16481 -0.14298
24 2PY 0.13627 0.10479 0.24192 0.14492 -0.17847
25 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
26 6 H 1S -0.35490 0.05219 0.19771 -0.47263 0.33069
27 7 H 1S 0.32868 0.59962 0.31518 0.08348 -0.22047
28 8 H 1S 0.35490 -0.05219 0.19771 0.47263 0.33069
29 9 C 1S 0.03973 -0.07269 0.09335 0.07112 -0.03095
30 2S -0.25081 0.45607 -0.56387 -0.43026 0.21601
31 2PX 0.15552 -0.22305 0.11361 0.06120 -0.03102
32 2PY -0.17731 0.05887 -0.09084 0.11363 0.07342
33 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
34 10 C 1S 0.08569 -0.02000 -0.06767 -0.11370 -0.06437
35 2S -0.53878 0.13417 0.41101 0.71170 0.41366
36 2PX -0.24710 -0.05644 -0.00281 0.14432 0.12322
37 2PY 0.13856 -0.29713 -0.04998 -0.03191 -0.38693
38 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
39 11 H 1S 0.44852 0.04979 -0.21143 -0.52515 -0.29352
40 12 H 1S 0.20659 -0.44082 0.36794 0.29660 -0.07523
41 13 H 1S 0.31370 -0.33863 -0.25932 -0.32966 -0.47551
42 14 C 1S -0.03973 0.07269 0.09335 -0.07112 -0.03095
43 2S 0.25081 -0.45607 -0.56387 0.43026 0.21601
44 2PX 0.15552 -0.22305 -0.11361 0.06120 0.03102
45 2PY -0.17731 0.05887 0.09084 0.11363 -0.07342
46 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
47 15 H 1S -0.20659 0.44082 0.36794 -0.29660 -0.07523
48 16 C 1S -0.08569 0.02000 -0.06767 0.11370 -0.06437
49 2S 0.53878 -0.13417 0.41101 -0.71170 0.41366
50 2PX -0.24710 -0.05644 0.00281 0.14432 -0.12322
51 2PY 0.13856 -0.29713 0.04998 -0.03191 0.38693
52 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
53 17 H 1S -0.44852 -0.04979 -0.21143 0.52515 -0.29352
54 18 H 1S -0.31370 0.33863 -0.25932 0.32966 -0.47551
55 19 C 1S -0.07445 -0.05762 0.07855 -0.05894 -0.11214
56 2S 0.44265 0.35745 -0.49042 0.35691 0.70877
57 2PX 0.10358 0.32699 -0.02155 -0.14064 -0.09732
58 2PY -0.02063 0.30612 -0.28102 0.13329 -0.11141
59 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
60 20 H 1S -0.32868 -0.59962 0.31518 -0.08348 -0.22047
51 52 53 54 55
(AG)--V (BU)--V (AG)--V (BU)--V (BU)--V
Eigenvalues -- 0.52626 0.54580 0.57601 0.59946 0.62500
1 1 C 1S 0.06735 -0.00389 -0.00191 0.05690 -0.09058
2 2S -0.44947 0.01588 0.01909 -0.39341 0.61366
3 2PX 0.13914 0.56092 -0.20852 -0.24847 -0.20689
4 2PY 0.59775 -0.07813 -0.05357 0.00093 0.05976
5 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
6 2 C 1S -0.04931 -0.03567 0.00338 0.08773 0.03289
7 2S 0.31958 0.24879 -0.02930 -0.60302 -0.21666
8 2PX 0.31233 0.20114 -0.52291 0.33702 -0.37668
9 2PY -0.02260 0.47039 0.40950 0.38809 -0.18677
10 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
11 3 C 1S -0.01203 -0.09696 -0.00246 -0.03737 0.00844
12 2S 0.07889 0.64983 0.02190 0.25420 -0.07140
13 2PX 0.45879 -0.02156 0.53209 -0.19113 0.24858
14 2PY -0.16367 -0.11418 0.19231 0.72601 -0.10940
15 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
16 4 C 1S 0.06735 0.00389 -0.00191 -0.05690 0.09058
17 2S -0.44947 -0.01588 0.01909 0.39341 -0.61366
18 2PX -0.13914 0.56092 0.20852 -0.24847 -0.20689
19 2PY -0.59775 -0.07813 0.05357 0.00093 0.05976
20 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
21 5 C 1S -0.04931 0.03567 0.00338 -0.08773 -0.03289
22 2S 0.31958 -0.24879 -0.02930 0.60302 0.21666
23 2PX -0.31233 0.20114 0.52291 0.33702 -0.37668
24 2PY 0.02260 0.47039 -0.40950 0.38809 -0.18677
25 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
26 6 H 1S 0.04359 -0.20955 -0.51908 0.25977 -0.00540
27 7 H 1S 0.26117 -0.30801 0.44773 -0.07614 0.13979
28 8 H 1S 0.04359 0.20955 -0.51908 -0.25977 0.00540
29 9 C 1S 0.07434 -0.02684 -0.05210 0.06083 0.02218
30 2S -0.48597 0.19417 0.35607 -0.41801 -0.17149
31 2PX 0.15428 0.26314 0.11336 0.07450 0.32261
32 2PY 0.00276 -0.05170 -0.15645 0.07060 0.47100
33 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
34 10 C 1S -0.01882 0.00873 0.04222 -0.00741 -0.01841
35 2S 0.11665 -0.06779 -0.28699 0.04651 0.13067
36 2PX -0.34632 -0.03268 0.08277 -0.26997 -0.53045
37 2PY -0.11915 -0.48215 -0.26581 0.10673 -0.22625
38 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
39 11 H 1S 0.23519 0.09696 0.13153 0.21084 0.35953
40 12 H 1S 0.30529 0.14792 -0.09559 0.24566 0.34717
41 13 H 1S -0.24814 -0.35591 -0.06126 -0.01415 -0.33990
42 14 C 1S 0.07434 0.02684 -0.05210 -0.06083 -0.02218
43 2S -0.48597 -0.19417 0.35607 0.41801 0.17149
44 2PX -0.15428 0.26314 -0.11336 0.07450 0.32261
45 2PY -0.00276 -0.05170 0.15645 0.07060 0.47100
46 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
47 15 H 1S 0.30529 -0.14792 -0.09559 -0.24566 -0.34717
48 16 C 1S -0.01882 -0.00873 0.04222 0.00741 0.01841
49 2S 0.11665 0.06779 -0.28699 -0.04651 -0.13067
50 2PX 0.34632 -0.03268 -0.08277 -0.26997 -0.53045
51 2PY 0.11915 -0.48215 0.26581 0.10673 -0.22625
52 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
53 17 H 1S 0.23519 -0.09696 0.13153 -0.21084 -0.35953
54 18 H 1S -0.24814 0.35591 -0.06126 0.01415 0.33990
55 19 C 1S -0.01203 0.09696 -0.00246 0.03737 -0.00844
56 2S 0.07889 -0.64983 0.02190 -0.25420 0.07140
57 2PX -0.45879 -0.02156 -0.53209 -0.19113 0.24858
58 2PY 0.16367 -0.11418 -0.19231 0.72601 -0.10940
59 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
60 20 H 1S 0.26117 0.30801 0.44773 0.07614 -0.13979
56 57 58 59 60
(AG)--V (AG)--V (BU)--V (AG)--V (BU)--V
Eigenvalues -- 0.63968 0.68283 0.71722 0.77955 0.79458
1 1 C 1S 0.01516 0.01609 0.02071 -0.00500 0.04439
2 2S -0.09108 -0.10260 -0.14604 0.03308 -0.33032
3 2PX -0.12562 0.12152 -0.44799 0.70026 0.18649
4 2PY -0.36238 -0.38621 0.15301 -0.06589 0.65345
5 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
6 2 C 1S -0.03185 0.01752 0.02013 -0.00706 -0.05727
7 2S 0.21883 -0.12671 -0.15060 0.04793 0.41798
8 2PX -0.17853 -0.01145 -0.04556 0.44639 0.49195
9 2PY -0.29863 0.44869 -0.21426 0.40273 -0.40087
10 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
11 3 C 1S 0.02719 -0.01919 0.04641 0.00707 0.05136
12 2S -0.19083 0.13837 -0.33546 -0.04888 -0.37236
13 2PX -0.26367 -0.10332 -0.19639 -0.22468 -0.57179
14 2PY -0.37432 0.39767 0.13245 0.54166 -0.22716
15 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
16 4 C 1S 0.01516 0.01609 -0.02071 -0.00500 -0.04439
17 2S -0.09108 -0.10260 0.14604 0.03308 0.33032
18 2PX 0.12562 -0.12152 -0.44799 -0.70026 0.18649
19 2PY 0.36238 0.38621 0.15301 0.06589 0.65345
20 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
21 5 C 1S -0.03185 0.01752 -0.02013 -0.00706 0.05727
22 2S 0.21883 -0.12671 0.15060 0.04793 -0.41798
23 2PX 0.17853 0.01145 -0.04556 -0.44639 0.49195
24 2PY 0.29863 -0.44869 -0.21426 -0.40273 -0.40087
25 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
26 6 H 1S -0.05824 -0.19137 0.10583 0.04174 0.27560
27 7 H 1S -0.20960 -0.04184 0.01814 -0.00667 -0.26965
28 8 H 1S -0.05824 -0.19137 -0.10583 0.04174 -0.27560
29 9 C 1S -0.04091 0.04175 -0.06141 -0.02707 -0.01253
30 2S 0.28387 -0.32739 0.46566 0.21536 0.07677
31 2PX 0.55549 -0.09661 0.59737 0.42095 0.02553
32 2PY 0.15910 0.66520 -0.47761 -0.33066 0.36256
33 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
34 10 C 1S 0.03112 -0.04918 0.07104 0.04148 -0.01013
35 2S -0.22572 0.36786 -0.53617 -0.32444 0.08599
36 2PX -0.18399 -0.57457 0.38033 0.24741 -0.22016
37 2PY -0.53032 0.21534 -0.54997 -0.32482 0.01107
38 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
39 11 H 1S 0.28836 0.26162 -0.01149 -0.03403 0.13562
40 12 H 1S 0.31757 0.14482 0.17354 0.15828 0.04552
41 13 H 1S -0.33197 -0.11574 -0.09348 -0.04713 -0.06419
42 14 C 1S -0.04091 0.04175 0.06141 -0.02707 0.01253
43 2S 0.28387 -0.32739 -0.46566 0.21536 -0.07677
44 2PX -0.55549 0.09661 0.59737 -0.42095 0.02553
45 2PY -0.15910 -0.66520 -0.47761 0.33066 0.36256
46 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
47 15 H 1S 0.31757 0.14482 -0.17354 0.15828 -0.04552
48 16 C 1S 0.03112 -0.04918 -0.07104 0.04148 0.01013
49 2S -0.22572 0.36786 0.53617 -0.32444 -0.08599
50 2PX 0.18399 0.57457 0.38033 -0.24741 -0.22016
51 2PY 0.53032 -0.21534 -0.54997 0.32482 0.01107
52 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
53 17 H 1S 0.28836 0.26162 0.01149 -0.03403 -0.13562
54 18 H 1S -0.33197 -0.11574 0.09348 -0.04713 0.06419
55 19 C 1S 0.02719 -0.01919 -0.04641 0.00707 -0.05136
56 2S -0.19083 0.13837 0.33546 -0.04888 0.37236
57 2PX 0.26367 0.10332 -0.19639 0.22468 -0.57179
58 2PY 0.37432 -0.39767 0.13245 -0.54166 -0.22716
59 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000
60 20 H 1S -0.20960 -0.04184 -0.01814 -0.00667 0.26965
Density Matrix:
1 2 3 4 5
1 1 C 1S 2.06612
2 2S -0.20625 0.84203
3 2PX 0.00024 0.00342 0.60378
4 2PY -0.00123 0.01896 -0.00297 0.59673
5 2PZ -0.00000 0.00000 0.00000 0.00000 0.77248
6 2 C 1S 0.02483 -0.06530 0.10699 0.03585 0.00000
7 2S -0.06586 0.09146 -0.27430 -0.08824 -0.00000
8 2PX -0.10542 0.27057 -0.41515 -0.14640 0.00000
9 2PY -0.03972 0.09757 -0.15926 -0.02717 0.00000
10 2PZ -0.00000 0.00000 -0.00000 -0.00000 0.47262
11 3 C 1S -0.00464 0.01440 -0.01575 -0.01469 -0.00000
12 2S 0.01408 -0.03459 0.05169 0.05920 0.00000
13 2PX 0.01418 -0.05978 0.04943 0.01721 -0.00000
14 2PY 0.01974 -0.06835 0.05878 0.05541 -0.00000
15 2PZ 0.00000 -0.00000 0.00000 0.00000 -0.05641
16 4 C 1S -0.00417 0.01463 -0.00240 -0.01231 -0.00000
17 2S 0.01463 -0.05097 0.00936 0.04611 0.00000
18 2PX 0.00240 -0.00936 -0.05463 0.01825 -0.00000
19 2PY 0.01231 -0.04611 0.01825 0.03887 -0.00000
20 2PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.31547
21 5 C 1S -0.00452 0.01385 0.00909 -0.01993 -0.00000
22 2S 0.01361 -0.03275 -0.02568 0.07528 0.00000
23 2PX -0.00621 0.03146 0.02496 -0.00615 -0.00000
24 2PY 0.02309 -0.08310 -0.04620 0.08345 0.00000
25 2PZ 0.00000 -0.00000 -0.00000 0.00000 -0.05862
26 6 H 1S 0.02611 -0.09740 0.13046 -0.01282 0.00000
27 7 H 1S -0.01839 0.07076 -0.09237 -0.03458 -0.00000
28 8 H 1S -0.01818 0.07032 0.07293 -0.06703 -0.00000
29 9 C 1S 0.00006 -0.00003 -0.00053 0.00079 0.00000
30 2S 0.00061 -0.00286 0.00260 0.00030 0.00000
31 2PX -0.00155 0.00664 -0.00382 -0.00405 0.00000
32 2PY -0.00198 0.00795 -0.00232 -0.00783 0.00000
33 2PZ -0.00000 0.00000 -0.00000 -0.00000 0.01319
34 10 C 1S -0.00033 0.00132 0.00053 -0.00122 -0.00000
35 2S 0.00117 -0.00455 -0.00223 0.00463 0.00000
36 2PX 0.00173 -0.00733 -0.00686 0.00601 0.00000
37 2PY 0.00066 -0.00338 0.00101 0.00179 0.00000
38 2PZ 0.00000 -0.00000 -0.00000 0.00000 0.16615
39 11 H 1S 0.00117 -0.00588 0.00011 0.00204 0.00000
40 12 H 1S 0.00114 -0.00585 -0.00575 0.00356 0.00000
41 13 H 1S -0.00160 0.00700 0.00064 -0.00517 -0.00000
42 14 C 1S 0.02164 -0.05943 -0.02200 -0.10336 -0.00000
43 2S -0.05966 0.10021 0.05598 0.28576 0.00000
44 2PX 0.02956 -0.09734 -0.01464 -0.13062 -0.00000
45 2PY 0.10262 -0.28322 -0.09218 -0.44258 -0.00000
46 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.19205
47 15 H 1S 0.02879 -0.11602 -0.07321 -0.11242 -0.00000
48 16 C 1S -0.00479 0.01566 -0.00525 0.02211 0.00000
49 2S 0.01305 -0.03691 0.02830 -0.07055 -0.00000
50 2PX 0.00090 0.00595 0.00978 -0.02527 -0.00000
51 2PY -0.02233 0.08940 -0.00366 0.09442 -0.00000
52 2PZ -0.00000 0.00000 0.00000 0.00000 -0.07130
53 17 H 1S 0.01454 -0.06103 -0.00421 -0.07094 -0.00000
54 18 H 1S -0.02182 0.09015 0.01181 0.10958 0.00000
55 19 C 1S 0.02460 -0.06496 -0.08537 0.07464 0.00000
56 2S -0.06519 0.09099 0.22023 -0.19055 -0.00000
57 2PX 0.08368 -0.21937 -0.25668 0.24013 0.00000
58 2PY -0.07476 0.18704 0.24796 -0.19116 0.00000
59 2PZ -0.00000 0.00000 0.00000 0.00000 0.47144
60 20 H 1S 0.02677 -0.10084 -0.12697 0.03785 -0.00000
6 7 8 9 10
6 2 C 1S 2.06661
7 2S -0.20410 0.82629
8 2PX 0.00389 -0.01948 0.61201
9 2PY -0.00339 0.02026 -0.01289 0.60819
10 2PZ -0.00000 0.00000 0.00000 0.00000 0.79897
11 3 C 1S 0.02549 -0.06674 0.01854 0.11407 0.00000
12 2S -0.06662 0.08880 -0.03808 -0.29066 -0.00000
13 2PX -0.02430 0.07043 0.00414 -0.08828 0.00000
14 2PY -0.11337 0.28638 -0.08762 -0.44605 0.00000
15 2PZ -0.00000 0.00000 -0.00000 -0.00000 0.53073
16 4 C 1S -0.00452 0.01361 0.00621 -0.02309 -0.00000
17 2S 0.01385 -0.03275 -0.03146 0.08310 0.00000
18 2PX -0.00909 0.02568 0.02496 -0.04620 -0.00000
19 2PY 0.01993 -0.07528 -0.00615 0.08345 0.00000
20 2PZ 0.00000 -0.00000 -0.00000 0.00000 -0.05862
21 5 C 1S -0.00416 0.01422 0.00911 -0.00759 -0.00000
22 2S 0.01422 -0.04779 -0.03407 0.02720 0.00000
23 2PX -0.00911 0.03407 0.00081 -0.04341 -0.00000
24 2PY 0.00759 -0.02720 -0.04341 -0.01102 -0.00000
25 2PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.32061
26 6 H 1S -0.11396 0.28739 -0.42001 0.35347 0.00000
27 7 H 1S 0.02837 -0.10464 0.07732 0.09804 0.00000
28 8 H 1S -0.00219 0.00732 0.00266 -0.00659 -0.00000
29 9 C 1S 0.00331 -0.01234 0.00253 0.01637 0.00000
30 2S -0.01322 0.04649 -0.00992 -0.06978 -0.00000
31 2PX 0.00033 -0.00325 0.00359 -0.00457 -0.00000
32 2PY -0.01365 0.05453 -0.01156 -0.06816 -0.00000
33 2PZ -0.00000 0.00000 -0.00000 -0.00000 -0.03860
34 10 C 1S -0.00135 0.00540 -0.00051 -0.00621 -0.00000
35 2S 0.00511 -0.01919 0.00079 0.02486 0.00000
36 2PX -0.00304 0.01180 -0.00131 -0.01647 -0.00000
37 2PY 0.00484 -0.02096 0.00391 0.02175 0.00000
38 2PZ 0.00000 -0.00000 0.00000 0.00000 0.01011
39 11 H 1S 0.00095 -0.00355 -0.00039 0.00528 0.00000
40 12 H 1S -0.00227 0.00731 0.00591 -0.00730 -0.00000
41 13 H 1S -0.00361 0.01511 -0.00198 -0.01819 -0.00000
42 14 C 1S -0.00501 0.01670 0.01387 0.01781 0.00000
43 2S 0.01703 -0.05115 -0.04723 -0.07277 -0.00000
44 2PX -0.01518 0.06240 0.04515 0.02778 0.00000
45 2PY -0.01795 0.06430 0.06521 0.05875 -0.00000
46 2PZ -0.00000 0.00000 0.00000 0.00000 -0.04704
47 15 H 1S -0.01704 0.06643 0.08051 0.03555 0.00000
48 16 C 1S -0.00299 0.01024 0.00082 0.00920 0.00000
49 2S 0.01003 -0.03454 -0.00502 -0.03486 -0.00000
50 2PX -0.00422 0.01559 -0.04001 0.02413 -0.00000
51 2PY -0.00782 0.02971 0.01023 0.02049 -0.00000
52 2PZ -0.00000 0.00000 -0.00000 0.00000 -0.19559
53 17 H 1S 0.00357 -0.01061 0.03139 -0.00493 0.00000
54 18 H 1S -0.00273 0.01007 -0.01953 0.01179 0.00000
55 19 C 1S -0.00516 0.01763 0.02421 -0.00168 0.00000
56 2S 0.01755 -0.05053 -0.09260 0.01330 -0.00000
57 2PX -0.02263 0.08897 0.08944 0.01052 0.00000
58 2PY 0.00749 -0.02239 -0.04321 0.01264 -0.00000
59 2PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.04990
60 20 H 1S -0.01800 0.06855 0.09085 0.02749 0.00000
11 12 13 14 15
11 3 C 1S 2.06693
12 2S -0.20564 0.83246
13 2PX 0.00447 -0.02410 0.61635
14 2PY 0.00271 -0.01627 0.00786 0.60250
15 2PZ 0.00000 -0.00000 0.00000 0.00000 0.79896
16 4 C 1S 0.02460 -0.06519 -0.08368 0.07476 0.00000
17 2S -0.06496 0.09099 0.21937 -0.18704 -0.00000
18 2PX 0.08537 -0.22023 -0.25668 0.24796 0.00000
19 2PY -0.07464 0.19055 0.24013 -0.19116 0.00000
20 2PZ -0.00000 0.00000 0.00000 0.00000 0.47144
21 5 C 1S -0.00516 0.01755 0.02263 -0.00749 0.00000
22 2S 0.01763 -0.05053 -0.08897 0.02239 -0.00000
23 2PX -0.02421 0.09260 0.08944 -0.04321 -0.00000
24 2PY 0.00168 -0.01330 0.01052 0.01264 -0.00000
25 2PZ -0.00000 0.00000 0.00000 -0.00000 -0.04990
26 6 H 1S 0.02820 -0.10406 0.03493 -0.11957 -0.00000
27 7 H 1S -0.11377 0.28757 -0.52062 -0.17610 -0.00000
28 8 H 1S -0.01816 0.06931 0.07516 -0.06028 -0.00000
29 9 C 1S -0.00597 0.02156 0.00372 -0.02383 -0.00000
30 2S 0.02311 -0.07648 -0.01214 0.10142 0.00000
31 2PX -0.00932 0.04287 -0.01510 -0.01022 -0.00000
32 2PY 0.02230 -0.08529 -0.04963 0.08429 0.00000
33 2PZ 0.00000 -0.00000 -0.00000 0.00000 -0.04127
34 10 C 1S 0.00336 -0.01284 -0.00655 0.01121 0.00000
35 2S -0.01205 0.04272 0.02362 -0.04491 -0.00000
36 2PX 0.00843 -0.03335 -0.01541 0.03111 -0.00000
37 2PY -0.01168 0.04786 0.02892 -0.03585 -0.00000
38 2PZ -0.00000 0.00000 -0.00000 -0.00000 -0.20313
39 11 H 1S -0.00003 -0.00253 0.01175 -0.00457 0.00000
40 12 H 1S 0.01391 -0.05311 -0.01757 0.04165 0.00000
41 13 H 1S 0.00572 -0.02316 -0.02457 0.02268 0.00000
42 14 C 1S 0.00297 -0.01082 -0.00373 -0.01478 -0.00000
43 2S -0.01129 0.03861 0.01594 0.06059 0.00000
44 2PX 0.00587 -0.02523 -0.00217 -0.02563 -0.00000
45 2PY 0.01328 -0.05171 -0.01520 -0.06821 -0.00000
46 2PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.04798
47 15 H 1S 0.00683 -0.02777 -0.00974 -0.03092 -0.00000
48 16 C 1S 0.00075 -0.00248 -0.00068 -0.00275 -0.00000
49 2S -0.00294 0.00953 0.00272 0.01179 0.00000
50 2PX 0.00264 -0.01031 0.00050 -0.01475 -0.00000
51 2PY 0.00107 -0.00286 -0.00417 -0.00169 0.00000
52 2PZ 0.00000 -0.00000 -0.00000 0.00000 0.01379
53 17 H 1S 0.00063 -0.00202 0.00120 -0.00719 -0.00000
54 18 H 1S -0.00048 0.00278 -0.00009 0.00398 0.00000
55 19 C 1S -0.00431 0.01485 0.01175 0.00376 0.00000
56 2S 0.01485 -0.05022 -0.04383 -0.01329 -0.00000
57 2PX -0.01175 0.04383 0.02954 0.02899 -0.00000
58 2PY -0.00376 0.01329 0.02899 -0.04152 -0.00000
59 2PZ -0.00000 0.00000 -0.00000 -0.00000 -0.31563
60 20 H 1S -0.00247 0.00840 0.00605 0.00577 0.00000
16 17 18 19 20
16 4 C 1S 2.06612
17 2S -0.20625 0.84203
18 2PX -0.00024 -0.00342 0.60378
19 2PY 0.00123 -0.01896 -0.00297 0.59673
20 2PZ 0.00000 -0.00000 0.00000 0.00000 0.77248
21 5 C 1S 0.02483 -0.06530 -0.10699 -0.03585 -0.00000
22 2S -0.06586 0.09146 0.27430 0.08824 0.00000
23 2PX 0.10542 -0.27057 -0.41515 -0.14640 0.00000
24 2PY 0.03972 -0.09757 -0.15926 -0.02717 0.00000
25 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.47262
26 6 H 1S -0.01818 0.07032 -0.07293 0.06703 0.00000
27 7 H 1S 0.02677 -0.10084 0.12697 -0.03785 0.00000
28 8 H 1S 0.02611 -0.09740 -0.13046 0.01282 -0.00000
29 9 C 1S 0.02164 -0.05943 0.02200 0.10336 0.00000
30 2S -0.05966 0.10021 -0.05598 -0.28576 -0.00000
31 2PX -0.02956 0.09734 -0.01464 -0.13062 -0.00000
32 2PY -0.10262 0.28322 -0.09218 -0.44258 -0.00000
33 2PZ -0.00000 0.00000 -0.00000 -0.00000 0.19205
34 10 C 1S -0.00479 0.01566 0.00525 -0.02211 -0.00000
35 2S 0.01305 -0.03691 -0.02830 0.07055 0.00000
36 2PX -0.00090 -0.00595 0.00978 -0.02527 -0.00000
37 2PY 0.02233 -0.08940 -0.00366 0.09442 -0.00000
38 2PZ 0.00000 -0.00000 0.00000 0.00000 -0.07130
39 11 H 1S 0.01454 -0.06103 0.00421 0.07094 0.00000
40 12 H 1S 0.02879 -0.11602 0.07321 0.11242 0.00000
41 13 H 1S -0.02182 0.09015 -0.01181 -0.10958 -0.00000
42 14 C 1S 0.00006 -0.00003 0.00053 -0.00079 -0.00000
43 2S 0.00061 -0.00286 -0.00260 -0.00030 -0.00000
44 2PX 0.00155 -0.00664 -0.00382 -0.00405 0.00000
45 2PY 0.00198 -0.00795 -0.00232 -0.00783 0.00000
46 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.01319
47 15 H 1S 0.00114 -0.00585 0.00575 -0.00356 -0.00000
48 16 C 1S -0.00033 0.00132 -0.00053 0.00122 0.00000
49 2S 0.00117 -0.00455 0.00223 -0.00463 -0.00000
50 2PX -0.00173 0.00733 -0.00686 0.00601 0.00000
51 2PY -0.00066 0.00338 0.00101 0.00179 0.00000
52 2PZ -0.00000 0.00000 -0.00000 0.00000 0.16615
53 17 H 1S 0.00117 -0.00588 -0.00011 -0.00204 -0.00000
54 18 H 1S -0.00160 0.00700 -0.00064 0.00517 0.00000
55 19 C 1S -0.00464 0.01440 0.01575 0.01469 0.00000
56 2S 0.01408 -0.03459 -0.05169 -0.05920 -0.00000
57 2PX -0.01418 0.05978 0.04943 0.01721 -0.00000
58 2PY -0.01974 0.06835 0.05878 0.05541 -0.00000
59 2PZ -0.00000 0.00000 0.00000 0.00000 -0.05641
60 20 H 1S -0.01839 0.07076 0.09237 0.03458 0.00000
21 22 23 24 25
21 5 C 1S 2.06661
22 2S -0.20410 0.82629
23 2PX -0.00389 0.01948 0.61201
24 2PY 0.00339 -0.02026 -0.01289 0.60819
25 2PZ 0.00000 -0.00000 0.00000 0.00000 0.79897
26 6 H 1S -0.00219 0.00732 -0.00266 0.00659 0.00000
27 7 H 1S -0.01800 0.06855 -0.09085 -0.02749 -0.00000
28 8 H 1S -0.11396 0.28739 0.42001 -0.35347 -0.00000
29 9 C 1S -0.00501 0.01670 -0.01387 -0.01781 -0.00000
30 2S 0.01703 -0.05115 0.04723 0.07277 0.00000
31 2PX 0.01518 -0.06240 0.04515 0.02778 0.00000
32 2PY 0.01795 -0.06430 0.06521 0.05875 -0.00000
33 2PZ 0.00000 -0.00000 0.00000 0.00000 -0.04704
34 10 C 1S -0.00299 0.01024 -0.00082 -0.00920 -0.00000
35 2S 0.01003 -0.03454 0.00502 0.03486 0.00000
36 2PX 0.00422 -0.01559 -0.04001 0.02413 -0.00000
37 2PY 0.00782 -0.02971 0.01023 0.02049 -0.00000
38 2PZ 0.00000 -0.00000 -0.00000 0.00000 -0.19559
39 11 H 1S 0.00357 -0.01061 -0.03139 0.00493 -0.00000
40 12 H 1S -0.01704 0.06643 -0.08051 -0.03555 -0.00000
41 13 H 1S -0.00273 0.01007 0.01953 -0.01179 -0.00000
42 14 C 1S 0.00331 -0.01234 -0.00253 -0.01637 -0.00000
43 2S -0.01322 0.04649 0.00992 0.06978 0.00000
44 2PX -0.00033 0.00325 0.00359 -0.00457 -0.00000
45 2PY 0.01365 -0.05453 -0.01156 -0.06816 -0.00000
46 2PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.03860
47 15 H 1S -0.00227 0.00731 -0.00591 0.00730 0.00000
48 16 C 1S -0.00135 0.00540 0.00051 0.00621 0.00000
49 2S 0.00511 -0.01919 -0.00079 -0.02486 -0.00000
50 2PX 0.00304 -0.01180 -0.00131 -0.01647 -0.00000
51 2PY -0.00484 0.02096 0.00391 0.02175 0.00000
52 2PZ -0.00000 0.00000 0.00000 0.00000 0.01011
53 17 H 1S 0.00095 -0.00355 0.00039 -0.00528 -0.00000
54 18 H 1S -0.00361 0.01511 0.00198 0.01819 0.00000
55 19 C 1S 0.02549 -0.06674 -0.01854 -0.11407 -0.00000
56 2S -0.06662 0.08880 0.03808 0.29066 0.00000
57 2PX 0.02430 -0.07043 0.00414 -0.08828 0.00000
58 2PY 0.11337 -0.28638 -0.08762 -0.44605 0.00000
59 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.53073
60 20 H 1S 0.02837 -0.10464 -0.07732 -0.09804 -0.00000
26 27 28 29 30
26 6 H 1S 0.58698
27 7 H 1S -0.07496 0.58889
28 8 H 1S 0.01862 -0.04790 0.58698
29 9 C 1S 0.00604 0.01473 0.01133 2.06714
30 2S -0.02664 -0.05709 -0.04513 -0.20575 0.83170
31 2PX -0.00851 0.00622 -0.02625 0.00441 -0.03234
32 2PY -0.03342 -0.05122 -0.05038 0.00018 0.02394
33 2PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000
34 10 C 1S -0.00327 -0.00267 0.00417 0.02888 -0.07416
35 2S 0.01322 0.00799 -0.01416 -0.07420 0.09248
36 2PX -0.00941 -0.00090 -0.02411 0.07702 -0.18095
37 2PY 0.01292 0.01141 0.01060 -0.09608 0.23511
38 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000
39 11 H 1S 0.00522 0.00327 0.00644 0.02435 -0.07784
40 12 H 1S -0.00665 0.01663 0.00765 -0.11139 0.27842
41 13 H 1S -0.01181 -0.00890 -0.00656 0.02887 -0.09569
42 14 C 1S 0.01133 0.00655 0.00604 0.00063 -0.00300
43 2S -0.04513 -0.02685 -0.02664 -0.00300 0.01369
44 2PX 0.02625 0.01222 0.00851 0.00023 -0.00136
45 2PY 0.05038 0.03336 0.03342 0.00232 -0.01137
46 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00000
47 15 H 1S 0.00765 0.02470 -0.00665 0.00042 -0.00191
48 16 C 1S 0.00417 0.00016 -0.00327 0.00003 -0.00010
49 2S -0.01416 -0.00188 0.01322 -0.00013 0.00041
50 2PX 0.02411 -0.00585 0.00941 0.00105 -0.00477
51 2PY -0.01060 0.00090 -0.01292 -0.00016 0.00082
52 2PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000
53 17 H 1S 0.00644 0.00776 0.00522 0.00005 -0.00008
54 18 H 1S -0.00656 -0.00662 -0.01181 -0.00001 0.00028
55 19 C 1S -0.01816 -0.00247 0.02820 0.00297 -0.01129
56 2S 0.06931 0.00840 -0.10406 -0.01082 0.03861
57 2PX -0.07516 -0.00605 -0.03493 0.00373 -0.01594
58 2PY 0.06028 -0.00577 0.11957 0.01478 -0.06059
59 2PZ 0.00000 -0.00000 0.00000 0.00000 -0.00000
60 20 H 1S -0.04790 0.01749 -0.07496 0.00655 -0.02685
31 32 33 34 35
31 2PX 0.62412
32 2PY -0.00225 0.59091
33 2PZ 0.00000 0.00000 0.78661
34 10 C 1S -0.08456 0.08973 0.00000 2.06711
35 2S 0.21153 -0.20486 -0.00000 -0.20369 0.81916
36 2PX -0.17888 0.23192 0.00000 -0.00336 0.02733
37 2PY 0.24414 -0.23492 0.00000 0.00410 -0.03476
38 2PZ 0.00000 -0.00000 0.76011 0.00000 -0.00000
39 11 H 1S -0.12056 0.04116 -0.00000 -0.11270 0.27994
40 12 H 1S -0.54492 -0.11315 -0.00000 0.02969 -0.10365
41 13 H 1S -0.02012 0.10900 0.00000 -0.11373 0.28658
42 14 C 1S -0.00023 -0.00232 -0.00000 0.00003 -0.00013
43 2S 0.00136 0.01137 0.00000 -0.00010 0.00041
44 2PX 0.00087 0.00041 0.00000 -0.00003 0.00037
45 2PY 0.00041 -0.00719 0.00000 0.00023 -0.00090
46 2PZ 0.00000 0.00000 0.01942 0.00000 -0.00000
47 15 H 1S 0.00102 -0.00036 0.00000 -0.00023 0.00099
48 16 C 1S 0.00003 -0.00023 -0.00000 -0.00013 0.00053
49 2S -0.00037 0.00090 0.00000 0.00053 -0.00216
50 2PX -0.00134 -0.00525 -0.00000 -0.00019 0.00075
51 2PY 0.00019 0.00065 -0.00000 -0.00030 0.00137
52 2PZ -0.00000 -0.00000 -0.00408 -0.00000 0.00000
53 17 H 1S 0.00091 0.00019 0.00000 0.00004 -0.00028
54 18 H 1S -0.00052 -0.00082 -0.00000 -0.00033 0.00138
55 19 C 1S -0.00587 -0.01328 -0.00000 0.00075 -0.00294
56 2S 0.02523 0.05171 0.00000 -0.00248 0.00953
57 2PX -0.00217 -0.01520 -0.00000 0.00068 -0.00272
58 2PY -0.02563 -0.06821 -0.00000 0.00275 -0.01179
59 2PZ -0.00000 -0.00000 -0.04798 0.00000 -0.00000
60 20 H 1S -0.01222 -0.03336 -0.00000 0.00016 -0.00188
36 37 38 39 40
36 2PX 0.62075
37 2PY 0.01138 0.61435
38 2PZ 0.00000 0.00000 0.82963
39 11 H 1S 0.54389 0.09129 0.00000 0.58675
40 12 H 1S 0.11889 -0.03980 0.00000 0.14047 0.59546
41 13 H 1S -0.18882 -0.51644 -0.00000 -0.15895 -0.09292
42 14 C 1S -0.00105 0.00016 -0.00000 0.00005 0.00042
43 2S 0.00477 -0.00082 0.00000 -0.00008 -0.00191
44 2PX -0.00134 0.00019 -0.00000 -0.00091 -0.00102
45 2PY -0.00525 0.00065 -0.00000 -0.00019 0.00036
46 2PZ -0.00000 -0.00000 -0.00408 -0.00000 -0.00000
47 15 H 1S 0.00020 0.00057 0.00000 -0.00015 0.00038
48 16 C 1S 0.00019 0.00030 0.00000 0.00004 -0.00023
49 2S -0.00075 -0.00137 -0.00000 -0.00028 0.00099
50 2PX -0.00198 0.00115 -0.00000 0.00055 -0.00020
51 2PY 0.00115 0.00027 -0.00000 -0.00022 -0.00057
52 2PZ -0.00000 -0.00000 -0.09692 0.00000 -0.00000
53 17 H 1S -0.00055 0.00022 -0.00000 -0.00038 -0.00015
54 18 H 1S 0.00104 0.00066 0.00000 0.00037 -0.00024
55 19 C 1S -0.00264 -0.00107 -0.00000 0.00063 0.00683
56 2S 0.01031 0.00286 0.00000 -0.00202 -0.02777
57 2PX 0.00050 -0.00417 -0.00000 -0.00120 0.00974
58 2PY -0.01475 -0.00169 0.00000 0.00719 0.03092
59 2PZ -0.00000 0.00000 0.01379 0.00000 0.00000
60 20 H 1S 0.00585 -0.00090 0.00000 0.00776 0.02470
41 42 43 44 45
41 13 H 1S 0.58396
42 14 C 1S -0.00001 2.06714
43 2S 0.00028 -0.20575 0.83170
44 2PX 0.00052 -0.00441 0.03234 0.62412
45 2PY 0.00082 -0.00018 -0.02394 -0.00225 0.59091
46 2PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000
47 15 H 1S -0.00024 -0.11139 0.27842 0.54492 0.11315
48 16 C 1S -0.00033 0.02888 -0.07416 0.08456 -0.08973
49 2S 0.00138 -0.07420 0.09248 -0.21153 0.20486
50 2PX -0.00104 -0.07702 0.18095 -0.17888 0.23192
51 2PY -0.00066 0.09608 -0.23511 0.24414 -0.23492
52 2PZ -0.00000 0.00000 -0.00000 0.00000 -0.00000
53 17 H 1S 0.00037 0.02435 -0.07784 0.12056 -0.04116
54 18 H 1S -0.00117 0.02887 -0.09569 0.02012 -0.10900
55 19 C 1S -0.00048 -0.00597 0.02311 0.00932 -0.02230
56 2S 0.00278 0.02156 -0.07648 -0.04287 0.08529
57 2PX 0.00009 -0.00372 0.01214 -0.01510 -0.04963
58 2PY -0.00398 0.02383 -0.10142 -0.01022 0.08429
59 2PZ -0.00000 0.00000 -0.00000 -0.00000 0.00000
60 20 H 1S -0.00662 0.01473 -0.05709 -0.00622 0.05122
46 47 48 49 50
46 2PZ 0.78661
47 15 H 1S 0.00000 0.59546
48 16 C 1S -0.00000 0.02969 2.06711
49 2S 0.00000 -0.10365 -0.20369 0.81916
50 2PX 0.00000 -0.11889 0.00336 -0.02733 0.62075
51 2PY 0.00000 0.03980 -0.00410 0.03476 0.01138
52 2PZ 0.76011 -0.00000 -0.00000 0.00000 0.00000
53 17 H 1S 0.00000 0.14047 -0.11270 0.27994 -0.54389
54 18 H 1S -0.00000 -0.09292 -0.11373 0.28658 0.18882
55 19 C 1S -0.00000 0.01391 0.00336 -0.01205 -0.00843
56 2S 0.00000 -0.05311 -0.01284 0.04272 0.03335
57 2PX -0.00000 0.01757 0.00655 -0.02362 -0.01541
58 2PY 0.00000 -0.04165 -0.01121 0.04491 0.03111
59 2PZ -0.04127 -0.00000 -0.00000 0.00000 -0.00000
60 20 H 1S 0.00000 0.01663 -0.00267 0.00799 0.00090
51 52 53 54 55
51 2PY 0.61435
52 2PZ 0.00000 0.82963
53 17 H 1S -0.09129 -0.00000 0.58675
54 18 H 1S 0.51644 0.00000 -0.15895 0.58396
55 19 C 1S 0.01168 0.00000 -0.00003 0.00572 2.06693
56 2S -0.04786 -0.00000 -0.00253 -0.02316 -0.20564
57 2PX 0.02892 -0.00000 -0.01175 0.02457 -0.00447
58 2PY -0.03585 -0.00000 0.00457 -0.02268 -0.00271
59 2PZ -0.00000 -0.20313 -0.00000 -0.00000 -0.00000
60 20 H 1S -0.01141 -0.00000 0.00327 -0.00890 -0.11377
56 57 58 59 60
56 2S 0.83246
57 2PX 0.02410 0.61635
58 2PY 0.01627 0.00786 0.60250
59 2PZ 0.00000 0.00000 0.00000 0.79896
60 20 H 1S 0.28757 0.52062 0.17610 0.00000 0.58889
Full Mulliken population analysis:
1 2 3 4 5
1 1 C 1S 2.06612
2 2S -0.05123 0.84203
3 2PX 0.00000 0.00000 0.60378
4 2PY 0.00000 0.00000 0.00000 0.59673
5 2PZ 0.00000 0.00000 0.00000 0.00000 0.77248
6 2 C 1S 0.00000 -0.00233 -0.00594 -0.00073 -0.00000
7 2S -0.00235 0.03239 0.09791 0.01155 0.00000
8 2PX -0.00585 0.09658 0.10953 0.02518 -0.00000
9 2PY -0.00081 0.01278 0.02739 -0.00386 0.00000
10 2PZ -0.00000 0.00000 0.00000 -0.00000 0.09688
11 3 C 1S -0.00000 0.00002 0.00004 0.00004 0.00000
12 2S 0.00002 -0.00195 -0.00281 -0.00377 -0.00000
13 2PX 0.00003 -0.00325 -0.00170 -0.00116 0.00000
14 2PY 0.00006 -0.00435 -0.00397 -0.00309 0.00000
15 2PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00132
16 4 C 1S 0.00000 0.00000 0.00000 0.00001 0.00000
17 2S 0.00000 -0.00111 -0.00006 -0.00161 -0.00000
18 2PX 0.00000 -0.00006 -0.00033 -0.00021 0.00000
19 2PY 0.00001 -0.00161 -0.00021 -0.00201 0.00000
20 2PZ 0.00000 -0.00000 0.00000 0.00000 -0.00260
21 5 C 1S -0.00000 0.00002 0.00001 0.00007 0.00000
22 2S 0.00002 -0.00182 -0.00068 -0.00588 0.00000
23 2PX 0.00001 -0.00084 0.00022 -0.00025 -0.00000
24 2PY 0.00008 -0.00649 -0.00191 -0.00819 0.00000
25 2PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00135
26 6 H 1S 0.00013 -0.00899 -0.01556 -0.00015 -0.00000
27 7 H 1S -0.00000 0.00042 0.00070 0.00022 0.00000
28 8 H 1S -0.00000 0.00041 0.00034 0.00058 0.00000
29 9 C 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000
30 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000
31 2PX -0.00000 0.00000 -0.00000 0.00000 -0.00000
32 2PY -0.00000 0.00000 0.00000 0.00001 -0.00000
33 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000
34 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000
35 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000
36 2PX -0.00000 0.00000 -0.00000 0.00000 0.00000
37 2PY 0.00000 -0.00000 0.00000 -0.00000 -0.00000
38 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000
39 11 H 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000
40 12 H 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000
41 13 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000
42 14 C 1S 0.00000 -0.00176 -0.00024 -0.00497 -0.00000
43 2S -0.00176 0.03184 0.00440 0.09807 0.00000
44 2PX -0.00033 0.00765 -0.00224 0.01415 -0.00000
45 2PY -0.00493 0.09720 0.00999 0.13062 -0.00000
46 2PZ -0.00000 0.00000 0.00000 0.00000 0.03418
47 15 H 1S 0.00014 -0.01051 -0.00555 -0.01015 -0.00000
48 16 C 1S -0.00000 0.00002 0.00000 0.00006 0.00000
49 2S 0.00002 -0.00173 -0.00043 -0.00490 0.00000
50 2PX 0.00000 0.00009 0.00013 -0.00062 -0.00000
51 2PY 0.00006 -0.00621 -0.00009 -0.00884 -0.00000
52 2PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00136
53 17 H 1S 0.00001 -0.00150 0.00009 -0.00213 -0.00000
54 18 H 1S -0.00000 0.00043 -0.00001 0.00089 0.00000
55 19 C 1S 0.00000 -0.00231 -0.00374 -0.00295 -0.00000
56 2S -0.00232 0.03217 0.06208 0.04848 0.00000
57 2PX -0.00366 0.06184 0.02267 0.06346 0.00000
58 2PY -0.00295 0.04759 0.06553 0.00651 0.00000
59 2PZ -0.00000 0.00000 0.00000 0.00000 0.09641
60 20 H 1S 0.00014 -0.00941 -0.01477 -0.00125 -0.00000
6 7 8 9 10
6 2 C 1S 2.06661
7 2S -0.05069 0.82629
8 2PX 0.00000 0.00000 0.61201
9 2PY 0.00000 0.00000 0.00000 0.60819
10 2PZ 0.00000 0.00000 0.00000 0.00000 0.79897
11 3 C 1S 0.00000 -0.00249 -0.00021 -0.00693 -0.00000
12 2S -0.00249 0.03229 0.00274 0.11056 0.00000
13 2PX -0.00028 0.00507 0.00080 0.00871 -0.00000
14 2PY -0.00689 0.10893 0.00864 0.13791 -0.00000
15 2PZ -0.00000 0.00000 0.00000 0.00000 0.11262
16 4 C 1S -0.00000 0.00002 0.00001 0.00008 0.00000
17 2S 0.00002 -0.00182 -0.00084 -0.00649 -0.00000
18 2PX 0.00001 -0.00068 0.00022 -0.00191 -0.00000
19 2PY 0.00007 -0.00588 -0.00025 -0.00819 -0.00000
20 2PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00135
21 5 C 1S 0.00000 0.00001 0.00001 0.00001 0.00000
22 2S 0.00001 -0.00119 -0.00103 -0.00071 -0.00000
23 2PX 0.00001 -0.00103 -0.00002 -0.00150 -0.00000
24 2PY 0.00001 -0.00071 -0.00150 0.00022 0.00000
25 2PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00306
26 6 H 1S -0.00697 0.13979 0.14930 0.10577 0.00000
27 7 H 1S 0.00015 -0.00998 -0.00572 -0.00967 -0.00000
28 8 H 1S -0.00000 0.00001 0.00001 0.00001 0.00000
29 9 C 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000
30 2S -0.00000 0.00007 -0.00000 0.00022 0.00000
31 2PX -0.00000 0.00000 0.00000 -0.00000 -0.00000
32 2PY -0.00000 0.00017 -0.00001 0.00039 0.00000
33 2PZ -0.00000 0.00000 -0.00000 0.00000 -0.00002
34 10 C 1S 0.00000 0.00000 -0.00000 0.00000 0.00000
35 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000
36 2PX 0.00000 -0.00000 0.00000 -0.00000 -0.00000
37 2PY 0.00000 -0.00000 0.00000 -0.00000 -0.00000
38 2PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000
39 11 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000
40 12 H 1S -0.00000 0.00001 -0.00000 0.00002 0.00000
41 13 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000
42 14 C 1S -0.00000 0.00002 0.00002 0.00003 0.00000
43 2S 0.00002 -0.00226 -0.00207 -0.00373 0.00000
44 2PX 0.00003 -0.00274 -0.00134 -0.00154 0.00000
45 2PY 0.00003 -0.00330 -0.00363 -0.00276 -0.00000
46 2PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00084
47 15 H 1S -0.00000 0.00034 0.00055 0.00019 0.00000
48 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000
49 2S 0.00000 -0.00045 -0.00003 -0.00075 0.00000
50 2PX 0.00000 -0.00009 -0.00008 -0.00024 -0.00000
51 2PY 0.00000 -0.00064 -0.00010 -0.00067 -0.00000
52 2PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00093
53 17 H 1S 0.00000 -0.00026 -0.00012 -0.00018 0.00000
54 18 H 1S -0.00000 0.00001 -0.00001 0.00002 0.00000
55 19 C 1S -0.00000 0.00003 0.00009 0.00000 0.00000
56 2S 0.00003 -0.00298 -0.00791 -0.00022 0.00000
57 2PX 0.00009 -0.00760 -0.01003 0.00028 0.00000
58 2PY 0.00001 -0.00037 -0.00115 0.00025 -0.00000
59 2PZ 0.00000 0.00000 0.00000 -0.00000 -0.00123
60 20 H 1S -0.00000 0.00042 0.00093 -0.00001 0.00000
11 12 13 14 15
11 3 C 1S 2.06693
12 2S -0.05107 0.83246
13 2PX 0.00000 0.00000 0.61635
14 2PY 0.00000 0.00000 0.00000 0.60250
15 2PZ 0.00000 0.00000 0.00000 0.00000 0.79896
16 4 C 1S 0.00000 -0.00232 -0.00366 -0.00295 -0.00000
17 2S -0.00231 0.03217 0.06184 0.04759 0.00000
18 2PX -0.00374 0.06208 0.02267 0.06553 0.00000
19 2PY -0.00295 0.04848 0.06346 0.00651 0.00000
20 2PZ -0.00000 0.00000 0.00000 0.00000 0.09641
21 5 C 1S -0.00000 0.00003 0.00009 0.00001 0.00000
22 2S 0.00003 -0.00298 -0.00760 -0.00037 -0.00000
23 2PX 0.00009 -0.00791 -0.01003 -0.00115 0.00000
24 2PY 0.00000 -0.00022 0.00028 0.00025 -0.00000
25 2PZ 0.00000 0.00000 0.00000 -0.00000 -0.00123
26 6 H 1S 0.00015 -0.00998 -0.00116 -0.01428 -0.00000
27 7 H 1S -0.00694 0.13970 0.22868 0.02649 0.00000
28 8 H 1S -0.00000 0.00042 0.00072 0.00021 0.00000
29 9 C 1S -0.00000 0.00003 0.00000 0.00007 0.00000
30 2S 0.00003 -0.00376 -0.00026 -0.00720 -0.00000
31 2PX 0.00001 -0.00091 -0.00015 -0.00034 -0.00000
32 2PY 0.00006 -0.00606 -0.00167 -0.00779 -0.00000
33 2PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00083
34 10 C 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000
35 2S -0.00000 0.00007 0.00003 0.00014 0.00000
36 2PX -0.00000 0.00005 0.00001 0.00008 -0.00000
37 2PY -0.00000 0.00015 0.00008 0.00018 0.00000
38 2PZ -0.00000 0.00000 -0.00000 0.00000 -0.00012
39 11 H 1S -0.00000 -0.00000 0.00001 0.00000 -0.00000
40 12 H 1S 0.00002 -0.00193 0.00012 -0.00217 -0.00000
41 13 H 1S 0.00000 -0.00000 -0.00000 -0.00001 -0.00000
42 14 C 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000
43 2S -0.00000 0.00006 0.00002 0.00015 0.00000
44 2PX -0.00000 0.00004 0.00000 0.00007 0.00000
45 2PY -0.00000 0.00013 0.00004 0.00027 0.00000
46 2PZ -0.00000 0.00000 0.00000 0.00000 -0.00002
47 15 H 1S 0.00000 -0.00001 -0.00000 -0.00001 -0.00000
48 16 C 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000
49 2S -0.00000 0.00000 0.00000 0.00000 0.00000
50 2PX -0.00000 0.00000 0.00000 0.00000 0.00000
51 2PY -0.00000 0.00000 0.00000 0.00000 -0.00000
52 2PZ -0.00000 0.00000 0.00000 -0.00000 0.00000
53 17 H 1S 0.00000 -0.00000 -0.00000 -0.00001 -0.00000
54 18 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000
55 19 C 1S 0.00000 0.00001 0.00001 0.00000 0.00000
56 2S 0.00001 -0.00128 -0.00170 -0.00018 -0.00000
57 2PX 0.00001 -0.00170 -0.00159 -0.00064 0.00000
58 2PY 0.00000 -0.00018 -0.00064 -0.00009 -0.00000
59 2PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00310
60 20 H 1S -0.00000 0.00001 0.00002 0.00001 0.00000
16 17 18 19 20
16 4 C 1S 2.06612
17 2S -0.05123 0.84203
18 2PX 0.00000 0.00000 0.60378
19 2PY 0.00000 0.00000 -0.00000 0.59673
20 2PZ 0.00000 0.00000 0.00000 0.00000 0.77248
21 5 C 1S 0.00000 -0.00233 -0.00594 -0.00073 -0.00000
22 2S -0.00235 0.03239 0.09791 0.01155 0.00000
23 2PX -0.00585 0.09658 0.10953 0.02518 0.00000
24 2PY -0.00081 0.01278 0.02739 -0.00386 0.00000
25 2PZ -0.00000 0.00000 0.00000 -0.00000 0.09688
26 6 H 1S -0.00000 0.00041 0.00034 0.00058 0.00000
27 7 H 1S 0.00014 -0.00941 -0.01477 -0.00125 -0.00000
28 8 H 1S 0.00013 -0.00899 -0.01556 -0.00015 -0.00000
29 9 C 1S 0.00000 -0.00176 -0.00024 -0.00497 -0.00000
30 2S -0.00176 0.03184 0.00440 0.09807 0.00000
31 2PX -0.00033 0.00765 -0.00224 0.01415 0.00000
32 2PY -0.00493 0.09720 0.00999 0.13062 0.00000
33 2PZ -0.00000 0.00000 0.00000 0.00000 0.03418
34 10 C 1S -0.00000 0.00002 0.00000 0.00006 0.00000
35 2S 0.00002 -0.00173 -0.00043 -0.00490 -0.00000
36 2PX 0.00000 0.00009 0.00013 -0.00062 -0.00000
37 2PY 0.00006 -0.00621 -0.00009 -0.00884 0.00000
38 2PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00136
39 11 H 1S 0.00001 -0.00150 0.00009 -0.00213 -0.00000
40 12 H 1S 0.00014 -0.01051 -0.00555 -0.01015 -0.00000
41 13 H 1S -0.00000 0.00043 -0.00001 0.00089 0.00000
42 14 C 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000
43 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000
44 2PX -0.00000 0.00000 -0.00000 0.00000 0.00000
45 2PY -0.00000 0.00000 0.00000 0.00001 0.00000
46 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000
47 15 H 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000
48 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000
49 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000
50 2PX -0.00000 0.00000 -0.00000 0.00000 0.00000
51 2PY 0.00000 -0.00000 0.00000 -0.00000 0.00000
52 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000
53 17 H 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000
54 18 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000
55 19 C 1S -0.00000 0.00002 0.00004 0.00004 0.00000
56 2S 0.00002 -0.00195 -0.00281 -0.00377 0.00000
57 2PX 0.00003 -0.00325 -0.00170 -0.00116 -0.00000
58 2PY 0.00006 -0.00435 -0.00397 -0.00309 -0.00000
59 2PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00132
60 20 H 1S -0.00000 0.00042 0.00070 0.00022 0.00000
21 22 23 24 25
21 5 C 1S 2.06661
22 2S -0.05069 0.82629
23 2PX 0.00000 0.00000 0.61201
24 2PY 0.00000 0.00000 -0.00000 0.60819
25 2PZ 0.00000 0.00000 0.00000 0.00000 0.79897
26 6 H 1S -0.00000 0.00001 0.00001 0.00001 0.00000
27 7 H 1S -0.00000 0.00042 0.00093 -0.00001 0.00000
28 8 H 1S -0.00697 0.13979 0.14930 0.10577 0.00000
29 9 C 1S -0.00000 0.00002 0.00002 0.00003 0.00000
30 2S 0.00002 -0.00226 -0.00207 -0.00373 -0.00000
31 2PX 0.00003 -0.00274 -0.00134 -0.00154 -0.00000
32 2PY 0.00003 -0.00330 -0.00363 -0.00276 0.00000
33 2PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00084
34 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000
35 2S 0.00000 -0.00045 -0.00003 -0.00075 -0.00000
36 2PX 0.00000 -0.00009 -0.00008 -0.00024 0.00000
37 2PY 0.00000 -0.00064 -0.00010 -0.00067 0.00000
38 2PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00093
39 11 H 1S 0.00000 -0.00026 -0.00012 -0.00018 0.00000
40 12 H 1S -0.00000 0.00034 0.00055 0.00019 0.00000
41 13 H 1S -0.00000 0.00001 -0.00001 0.00002 0.00000
42 14 C 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000
43 2S -0.00000 0.00007 -0.00000 0.00022 0.00000
44 2PX -0.00000 0.00000 0.00000 -0.00000 -0.00000
45 2PY -0.00000 0.00017 -0.00001 0.00039 -0.00000
46 2PZ -0.00000 0.00000 -0.00000 0.00000 -0.00002
47 15 H 1S -0.00000 0.00001 -0.00000 0.00002 0.00000
48 16 C 1S 0.00000 0.00000 -0.00000 0.00000 0.00000
49 2S 0.00000 -0.00000 0.00000 -0.00000 0.00000
50 2PX 0.00000 -0.00000 0.00000 -0.00000 -0.00000
51 2PY 0.00000 -0.00000 0.00000 -0.00000 0.00000
52 2PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000
53 17 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000
54 18 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000
55 19 C 1S 0.00000 -0.00249 -0.00021 -0.00693 -0.00000
56 2S -0.00249 0.03229 0.00274 0.11056 0.00000
57 2PX -0.00028 0.00507 0.00080 0.00871 0.00000
58 2PY -0.00689 0.10893 0.00864 0.13791 0.00000
59 2PZ -0.00000 0.00000 -0.00000 0.00000 0.11262
60 20 H 1S 0.00015 -0.00998 -0.00572 -0.00967 -0.00000
26 27 28 29 30
26 6 H 1S 0.58698
27 7 H 1S -0.00383 0.58889
28 8 H 1S 0.00000 -0.00003 0.58698
29 9 C 1S 0.00000 0.00002 0.00001 2.06714
30 2S -0.00000 -0.00187 -0.00122 -0.05110 0.83170
31 2PX 0.00000 -0.00019 -0.00094 0.00000 0.00000
32 2PY -0.00001 -0.00186 -0.00089 0.00000 0.00000
33 2PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000
34 10 C 1S -0.00000 -0.00000 0.00000 0.00000 -0.00318
35 2S 0.00000 0.00001 -0.00039 -0.00318 0.03636
36 2PX 0.00000 0.00000 -0.00057 -0.00355 0.04793
37 2PY 0.00000 0.00002 0.00035 -0.00519 0.07290
38 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000
39 11 H 1S 0.00000 0.00000 0.00056 0.00014 -0.00773
40 12 H 1S -0.00000 0.00103 0.00002 -0.00677 0.13497
41 13 H 1S -0.00000 -0.00000 -0.00002 0.00017 -0.00976
42 14 C 1S 0.00001 0.00000 0.00000 0.00000 -0.00000
43 2S -0.00122 -0.00000 -0.00000 -0.00000 0.00000
44 2PX -0.00094 -0.00000 0.00000 -0.00000 0.00000
45 2PY -0.00089 -0.00001 -0.00001 -0.00000 0.00000
46 2PZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000
47 15 H 1S 0.00002 0.00000 -0.00000 0.00000 -0.00000
48 16 C 1S 0.00000 0.00000 -0.00000 0.00000 -0.00000
49 2S -0.00039 -0.00000 0.00000 -0.00000 0.00000
50 2PX -0.00057 0.00000 0.00000 -0.00000 0.00000
51 2PY 0.00035 -0.00000 0.00000 0.00000 -0.00000
52 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000
53 17 H 1S 0.00056 0.00000 0.00000 0.00000 -0.00000
54 18 H 1S -0.00002 -0.00000 -0.00000 -0.00000 0.00000
55 19 C 1S -0.00000 -0.00000 0.00015 0.00000 -0.00000
56 2S 0.00042 0.00001 -0.00998 -0.00000 0.00006
57 2PX 0.00072 0.00002 -0.00116 -0.00000 0.00002
58 2PY 0.00021 0.00001 -0.01428 -0.00000 0.00015
59 2PZ -0.00000 0.00000 -0.00000 -0.00000 0.00000
60 20 H 1S -0.00003 0.00000 -0.00383 0.00000 -0.00000
31 32 33 34 35
31 2PX 0.62412
32 2PY 0.00000 0.59091
33 2PZ 0.00000 0.00000 0.78661
34 10 C 1S -0.00390 -0.00485 -0.00000 2.06711
35 2S 0.05603 0.06352 0.00000 -0.05059 0.81916
36 2PX 0.00042 0.06457 0.00000 0.00000 0.00000
37 2PY 0.06797 0.02125 0.00000 0.00000 0.00000
38 2PZ 0.00000 0.00000 0.17898 0.00000 0.00000
39 11 H 1S -0.01408 -0.00214 0.00000 -0.00692 0.13642
40 12 H 1S 0.24755 0.01050 0.00000 0.00018 -0.01096
41 13 H 1S -0.00065 -0.01380 -0.00000 -0.00698 0.13961
42 14 C 1S -0.00000 -0.00000 -0.00000 0.00000 -0.00000
43 2S 0.00000 0.00000 0.00000 -0.00000 0.00000
44 2PX -0.00000 -0.00000 -0.00000 0.00000 -0.00000
45 2PY -0.00000 0.00000 -0.00000 -0.00000 0.00000
46 2PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000
47 15 H 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000
48 16 C 1S 0.00000 -0.00000 -0.00000 0.00000 0.00000
49 2S -0.00000 0.00000 0.00000 0.00000 -0.00000
50 2PX -0.00000 0.00000 -0.00000 -0.00000 0.00000
51 2PY -0.00000 -0.00000 -0.00000 0.00000 -0.00000
52 2PZ 0.00000 0.00000 -0.00000 0.00000 -0.00000
53 17 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000
54 18 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000
55 19 C 1S -0.00000 -0.00000 -0.00000 0.00000 -0.00000
56 2S 0.00004 0.00013 0.00000 -0.00000 0.00000
57 2PX 0.00000 0.00004 -0.00000 -0.00000 0.00000
58 2PY 0.00007 0.00027 -0.00000 -0.00000 0.00000
59 2PZ 0.00000 0.00000 -0.00002 -0.00000 0.00000
60 20 H 1S -0.00000 -0.00001 -0.00000 0.00000 -0.00000
36 37 38 39 40
36 2PX 0.62075
37 2PY 0.00000 0.61435
38 2PZ 0.00000 0.00000 0.82963
39 11 H 1S 0.25065 0.00580 0.00000 0.58675
40 12 H 1S -0.01484 -0.00204 0.00000 0.00204 0.59546
41 13 H 1S 0.02753 0.22810 0.00000 -0.02373 -0.00509
42 14 C 1S -0.00000 0.00000 -0.00000 0.00000 0.00000
43 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000
44 2PX -0.00000 -0.00000 0.00000 -0.00000 0.00000
45 2PY 0.00000 -0.00000 0.00000 0.00000 -0.00000
46 2PZ 0.00000 0.00000 -0.00000 0.00000 0.00000
47 15 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00000
48 16 C 1S -0.00000 0.00000 0.00000 0.00000 -0.00000
49 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000
50 2PX -0.00000 0.00000 -0.00000 0.00000 0.00000
51 2PY 0.00000 -0.00000 0.00000 0.00000 0.00000
52 2PZ -0.00000 0.00000 -0.00000 -0.00000 0.00000
53 17 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000
54 18 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000
55 19 C 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000
56 2S 0.00000 0.00000 0.00000 -0.00000 -0.00001
57 2PX 0.00000 0.00000 -0.00000 -0.00000 -0.00000
58 2PY 0.00000 0.00000 0.00000 -0.00001 -0.00001
59 2PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000
60 20 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000
41 42 43 44 45
41 13 H 1S 0.58396
42 14 C 1S -0.00000 2.06714
43 2S 0.00000 -0.05110 0.83170
44 2PX -0.00000 0.00000 0.00000 0.62412
45 2PY -0.00000 0.00000 0.00000 -0.00000 0.59091
46 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000
47 15 H 1S -0.00000 -0.00677 0.13497 0.24755 0.01050
48 16 C 1S -0.00000 0.00000 -0.00318 -0.00390 -0.00485
49 2S 0.00000 -0.00318 0.03636 0.05603 0.06352
50 2PX -0.00000 -0.00355 0.04793 0.00042 0.06457
51 2PY 0.00000 -0.00519 0.07290 0.06797 0.02125
52 2PZ 0.00000 -0.00000 0.00000 0.00000 -0.00000
53 17 H 1S 0.00000 0.00014 -0.00773 -0.01408 -0.00214
54 18 H 1S -0.00000 0.00017 -0.00976 -0.00065 -0.01380
55 19 C 1S -0.00000 -0.00000 0.00003 0.00001 0.00006
56 2S 0.00000 0.00003 -0.00376 -0.00091 -0.00606
57 2PX -0.00000 0.00000 -0.00026 -0.00015 -0.00167
58 2PY 0.00000 0.00007 -0.00720 -0.00034 -0.00779
59 2PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000
60 20 H 1S -0.00000 0.00002 -0.00187 -0.00019 -0.00186
46 47 48 49 50
46 2PZ 0.78661
47 15 H 1S 0.00000 0.59546
48 16 C 1S -0.00000 0.00018 2.06711
49 2S 0.00000 -0.01096 -0.05059 0.81916
50 2PX 0.00000 -0.01484 0.00000 0.00000 0.62075
51 2PY 0.00000 -0.00204 0.00000 0.00000 0.00000
52 2PZ 0.17898 -0.00000 0.00000 0.00000 0.00000
53 17 H 1S -0.00000 0.00204 -0.00692 0.13642 0.25065
54 18 H 1S -0.00000 -0.00509 -0.00698 0.13961 0.02753
55 19 C 1S 0.00000 0.00002 0.00000 -0.00000 -0.00000
56 2S 0.00000 -0.00193 -0.00000 0.00007 0.00005
57 2PX -0.00000 0.00012 -0.00000 0.00003 0.00001
58 2PY 0.00000 -0.00217 -0.00000 0.00014 0.00008
59 2PZ -0.00083 -0.00000 -0.00000 0.00000 -0.00000
60 20 H 1S -0.00000 0.00103 -0.00000 0.00001 0.00000
51 52 53 54 55
51 2PY 0.61435
52 2PZ 0.00000 0.82963
53 17 H 1S 0.00580 0.00000 0.58675
54 18 H 1S 0.22810 0.00000 -0.02373 0.58396
55 19 C 1S -0.00000 -0.00000 -0.00000 0.00000 2.06693
56 2S 0.00015 0.00000 -0.00000 -0.00000 -0.05107
57 2PX 0.00008 -0.00000 0.00001 -0.00000 0.00000
58 2PY 0.00018 -0.00000 0.00000 -0.00001 0.00000
59 2PZ 0.00000 -0.00012 -0.00000 -0.00000 0.00000
60 20 H 1S 0.00002 0.00000 0.00000 -0.00000 -0.00694
56 57 58 59 60
56 2S 0.83246
57 2PX 0.00000 0.61635
58 2PY 0.00000 0.00000 0.60250
59 2PZ 0.00000 0.00000 0.00000 0.79896
60 20 H 1S 0.13970 0.22868 0.02649 0.00000 0.58889
Gross orbital populations:
1
1 1 C 1S 1.99066
2 2S 1.14605
3 2PX 0.94456
4 2PY 0.92992
5 2PZ 0.99332
6 2 C 1S 1.99077
7 2S 1.15782
8 2PX 0.96470
9 2PY 0.96284
10 2PZ 1.00104
11 3 C 1S 1.99080
12 2S 1.16016
13 2PX 0.97418
14 2PY 0.95010
15 2PZ 1.00138
16 4 C 1S 1.99066
17 2S 1.14605
18 2PX 0.94456
19 2PY 0.92992
20 2PZ 0.99332
21 5 C 1S 1.99077
22 2S 1.15782
23 2PX 0.96470
24 2PY 0.96284
25 2PZ 1.00104
26 6 H 1S 0.92078
27 7 H 1S 0.92231
28 8 H 1S 0.92078
29 9 C 1S 1.99088
30 2S 1.16281
31 2PX 0.98867
32 2PY 0.93595
33 2PZ 0.99806
34 10 C 1S 1.99097
35 2S 1.17797
36 2PX 0.99223
37 2PY 0.98744
38 2PZ 1.00620
39 11 H 1S 0.92367
40 12 H 1S 0.92312
41 13 H 1S 0.92066
42 14 C 1S 1.99088
43 2S 1.16281
44 2PX 0.98867
45 2PY 0.93595
46 2PZ 0.99806
47 15 H 1S 0.92312
48 16 C 1S 1.99097
49 2S 1.17797
50 2PX 0.99223
51 2PY 0.98744
52 2PZ 1.00620
53 17 H 1S 0.92367
54 18 H 1S 0.92066
55 19 C 1S 1.99080
56 2S 1.16016
57 2PX 0.97418
58 2PY 0.95010
59 2PZ 1.00138
60 20 H 1S 0.92231
Condensed to atoms (all electrons):
1 2 3 4 5 6
1 C 4.778685 0.488314 -0.027151 -0.009775 -0.026978 -0.024563
2 C 0.488314 4.810697 0.508964 -0.026978 -0.010504 0.387886
3 C -0.027151 0.508964 4.815051 0.488803 -0.030714 -0.025273
4 C -0.009775 -0.026978 0.488803 4.778685 0.488314 0.001331
5 C -0.026978 -0.010504 -0.030714 0.488314 4.810697 0.000032
6 H -0.024563 0.387886 -0.025273 0.001331 0.000032 0.586976
7 H 0.001335 -0.025216 0.387929 -0.025299 0.001342 -0.003828
8 H 0.001331 0.000032 0.001347 -0.024563 0.387886 0.000002
9 C 0.000016 0.000818 -0.028764 0.411854 -0.024069 -0.000015
10 C 0.000000 -0.000007 0.000680 -0.023790 -0.003966 0.000000
11 H -0.000000 -0.000000 0.000012 -0.003531 -0.000561 0.000000
12 H -0.000001 0.000022 -0.003961 -0.026065 0.001086 -0.000002
13 H 0.000000 0.000000 -0.000016 0.001320 0.000018 -0.000000
14 C 0.411854 -0.024069 0.000749 0.000016 0.000818 -0.003039
15 H -0.026065 0.001086 -0.000017 -0.000001 0.000022 0.000019
16 C -0.023790 -0.003966 0.000015 0.000000 -0.000007 -0.000606
17 H -0.003531 -0.000561 -0.000012 -0.000000 -0.000000 0.000562
18 H 0.001320 0.000018 0.000000 0.000000 0.000000 -0.000017
19 C 0.488803 -0.030714 -0.011069 -0.027151 0.508964 0.001347
20 H -0.025299 0.001342 0.000039 0.001335 -0.025216 -0.000034
7 8 9 10 11 12
1 C 0.001335 0.001331 0.000016 0.000000 -0.000000 -0.000001
2 C -0.025216 0.000032 0.000818 -0.000007 -0.000000 0.000022
3 C 0.387929 0.001347 -0.028764 0.000680 0.000012 -0.003961
4 C -0.025299 -0.024563 0.411854 -0.023790 -0.003531 -0.026065
5 C 0.001342 0.387886 -0.024069 -0.003966 -0.000561 0.001086
6 H -0.003828 0.000002 -0.000015 0.000000 0.000000 -0.000002
7 H 0.588887 -0.000034 -0.003902 0.000029 0.000001 0.001033
8 H -0.000034 0.586976 -0.003039 -0.000606 0.000562 0.000019
9 C -0.003902 -0.003039 4.798265 0.586090 -0.023812 0.386251
10 C 0.000029 -0.000606 0.586090 4.849821 0.385946 -0.027666
11 H 0.000001 0.000562 -0.023812 0.385946 0.586748 0.002044
12 H 0.001033 0.000019 0.386251 -0.027666 0.002044 0.595464
13 H -0.000002 -0.000017 -0.024048 0.388265 -0.023726 -0.005093
14 C -0.000014 -0.000015 0.000000 -0.000000 0.000000 -0.000000
15 H 0.000000 -0.000002 -0.000000 0.000000 -0.000000 0.000000
16 C 0.000000 0.000000 -0.000000 -0.000000 0.000000 0.000000
17 H 0.000002 0.000000 0.000000 0.000000 -0.000000 -0.000000
18 H -0.000000 -0.000000 -0.000000 0.000000 0.000000 -0.000000
19 C 0.000039 -0.025273 0.000749 0.000015 -0.000012 -0.000017
20 H 0.000002 -0.003828 -0.000014 0.000000 0.000002 0.000000
13 14 15 16 17 18
1 C 0.000000 0.411854 -0.026065 -0.023790 -0.003531 0.001320
2 C 0.000000 -0.024069 0.001086 -0.003966 -0.000561 0.000018
3 C -0.000016 0.000749 -0.000017 0.000015 -0.000012 0.000000
4 C 0.001320 0.000016 -0.000001 0.000000 -0.000000 0.000000
5 C 0.000018 0.000818 0.000022 -0.000007 -0.000000 0.000000
6 H -0.000000 -0.003039 0.000019 -0.000606 0.000562 -0.000017
7 H -0.000002 -0.000014 0.000000 0.000000 0.000002 -0.000000
8 H -0.000017 -0.000015 -0.000002 0.000000 0.000000 -0.000000
9 C -0.024048 0.000000 -0.000000 -0.000000 0.000000 -0.000000
10 C 0.388265 -0.000000 0.000000 -0.000000 0.000000 0.000000
11 H -0.023726 0.000000 -0.000000 0.000000 -0.000000 0.000000
12 H -0.005093 -0.000000 0.000000 0.000000 -0.000000 -0.000000
13 H 0.583955 -0.000000 -0.000000 0.000000 0.000000 -0.000000
14 C -0.000000 4.798265 0.386251 0.586090 -0.023812 -0.024048
15 H -0.000000 0.386251 0.595464 -0.027666 0.002044 -0.005093
16 C 0.000000 0.586090 -0.027666 4.849821 0.385946 0.388265
17 H 0.000000 -0.023812 0.002044 0.385946 0.586748 -0.023726
18 H -0.000000 -0.024048 -0.005093 0.388265 -0.023726 0.583955
19 C 0.000000 -0.028764 -0.003961 0.000680 0.000012 -0.000016
20 H -0.000000 -0.003902 0.001033 0.000029 0.000001 -0.000002
19 20
1 C 0.488803 -0.025299
2 C -0.030714 0.001342
3 C -0.011069 0.000039
4 C -0.027151 0.001335
5 C 0.508964 -0.025216
6 H 0.001347 -0.000034
7 H 0.000039 0.000002
8 H -0.025273 -0.003828
9 C 0.000749 -0.000014
10 C 0.000015 0.000000
11 H -0.000012 0.000002
12 H -0.000017 0.000000
13 H 0.000000 -0.000000
14 C -0.028764 -0.003902
15 H -0.003961 0.001033
16 C 0.000680 0.000029
17 H 0.000012 0.000001
18 H -0.000016 -0.000002
19 C 4.815051 0.387929
20 H 0.387929 0.588887
Mulliken charges:
1
1 C -0.004504
2 C -0.077163
3 C -0.076614
4 C -0.004504
5 C -0.077163
6 H 0.079223
7 H 0.077694
8 H 0.079223
9 C -0.076380
10 C -0.154812
11 H 0.076327
12 H 0.076884
13 H 0.079344
14 C -0.076380
15 H 0.076884
16 C -0.154812
17 H 0.076327
18 H 0.079344
19 C -0.076614
20 H 0.077694
Sum of Mulliken charges = -0.00000
Mulliken charges with hydrogens summed into heavy atoms:
1
1 C -0.004504
2 C 0.002060
3 C 0.001080
4 C -0.004504
5 C 0.002060
9 C 0.000505
10 C 0.000859
14 C 0.000505
16 C 0.000859
19 C 0.001080
N-N= 4.458952146435D+02 E-N=-1.776406417193D+03 KE= 3.758473006349D+02
Symmetry AG KE= 1.814054557324D+02
Symmetry BG KE= 7.823289114860D+00
Symmetry AU KE= 4.696944385764D+00
Symmetry BU KE= 1.819216114019D+02
Orbital energies and kinetic energies (alpha):
1 2
1 (BU)--O -10.020218 15.582577
2 (AG)--O -10.020170 15.584084
3 (BU)--O -10.008114 15.591085
4 (AG)--O -10.008113 15.591135
5 (BU)--O -10.006787 15.571162
6 (AG)--O -10.006783 15.568850
7 (BU)--O -10.006052 15.606045
8 (AG)--O -10.005914 15.612902
9 (BU)--O -9.992329 15.591272
10 (AG)--O -9.992329 15.591274
11 (AG)--O -0.809510 1.390116
12 (BU)--O -0.753978 1.449049
13 (AG)--O -0.717966 1.461321
14 (BU)--O -0.699787 1.499721
15 (BU)--O -0.667509 1.556864
16 (AG)--O -0.588689 1.334416
17 (AG)--O -0.558921 1.348907
18 (BU)--O -0.531659 1.322520
19 (AG)--O -0.510178 1.167637
20 (AG)--O -0.457445 1.024735
21 (BU)--O -0.439357 1.071847
22 (BU)--O -0.410608 1.266512
23 (BU)--O -0.397951 1.148634
24 (AG)--O -0.396066 1.143510
25 (BU)--O -0.373969 1.158171
26 (BU)--O -0.351149 1.352465
27 (AG)--O -0.347288 1.154069
28 (AU)--O -0.324507 1.063812
29 (BU)--O -0.311252 1.192884
30 (AG)--O -0.292793 1.406842
31 (AG)--O -0.287452 1.322931
32 (BG)--O -0.263542 1.181517
33 (AU)--O -0.212447 1.284660
34 (BG)--O -0.195055 1.322552
35 (BG)--O -0.153084 1.407576
36 (AU)--V 0.037417 1.701119
37 (AU)--V 0.090371 1.818340
38 (BG)--V 0.110613 1.833565
39 (AU)--V 0.182201 2.013278
40 (BG)--V 0.272526 2.211503
41 (AG)--V 0.332231 2.264769
42 (BU)--V 0.340739 2.046105
43 (BU)--V 0.379367 2.596477
44 (AG)--V 0.381450 2.165499
45 (AG)--V 0.410969 2.780419
46 (BU)--V 0.411958 2.766145
47 (BU)--V 0.426743 2.318885
48 (AG)--V 0.439621 3.171384
49 (BU)--V 0.452744 2.757261
50 (AG)--V 0.478257 2.949107
51 (AG)--V 0.526261 2.915980
52 (BU)--V 0.545804 2.898623
53 (AG)--V 0.576011 2.717761
54 (BU)--V 0.599461 3.193004
55 (BU)--V 0.624996 3.001919
56 (AG)--V 0.639680 2.962779
57 (AG)--V 0.682825 3.185101
58 (BU)--V 0.717222 3.430656
59 (AG)--V 0.779547 3.437144
60 (BU)--V 0.794583 3.512152
Total kinetic energy from orbitals= 3.758473006349D+02
No NMR shielding tensors so no spin-rotation constants.
Leave Link 601 at Thu Apr 5 09:06:04 2018, MaxMem= 52428800 cpu: 0.1 elap: 0.1
(Enter /software/Gaussian16/g16_sse4/g16/l9999.exe)
Test job not archived.
1\1\GINC-QNODE4086\SP\RB3LYP\STO-3G\C10H10\ASR731\05-Apr-2018\0\\#p b3
lyp/sto-3g guess=read geom=allcheck pop=full gfinput iop(3/33=1,3/36=-
1)\\Title Card Required\\0,1\C,0,-0.0758620095,0.,0.026976172\C,0,-0.0
045249089,0.,1.4463590272\C,0,1.233736384,0.,2.1041846497\C,0,2.457288
8655,0.,1.3787460974\C,0,2.3859517648,0.,-0.0406367578\H,0,-0.92877965
,0.,2.038369764\H,0,1.2651436192,0.,3.2023768764\H,0,3.3102065059,0.,-
0.6326474946\C,0,3.7521118658,0.,2.1312678481\C,0,4.9873358742,0.,1.60
08975806\H,0,5.1666218259,0.,0.5196515525\H,0,3.6423310639,0.,3.226204
9273\H,0,5.8793519852,0.,2.2381007064\C,0,-1.3706850098,0.,-0.72554557
87\H,0,-1.2609042079,0.,-1.820482658\C,0,-2.6059090183,0.,-0.195175311
3\H,0,-2.78519497,0.,0.8860707169\H,0,-3.4979251292,0.,-0.832378437\C,
0,1.147690472,0.,-0.6984623803\H,0,1.1162832367,0.,-1.796654607\\Versi
on=ES64L-G16RevA.03\State=1-AG\HF=-382.3082666\RMSD=1.870e-09\PG=C02H
[SGH(C10H10)]\\@
DO NOT LET SELFISH MEN OR GREEDY INTERESTS SKIN YOUR COUNTRY OF ITS
BEAUTY, ITS RICHES, OR ITS ROMANCE. -- THEODORE ROOSEVELT
Job cpu time: 0 days 0 hours 0 minutes 2.2 seconds.
Elapsed time: 0 days 0 hours 0 minutes 2.1 seconds.
File lengths (MBytes): RWF= 6 Int= 0 D2E= 0 Chk= 16 Scr= 1
Normal termination of Gaussian 16 at Thu Apr 5 09:06:04 2018.
|
