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
|
*-------------------------------------------------------------------------------
* Molecule: Muonic oxygen.
* Basis: Mounic basis for oxygen and a nitrogen ANO-L-VTZP
* Symmetry: Cs
* Features tested: gateway, seward, rasscf for muonic systems
* Responsible person: Roland Lindh, 2024-08-12
* Comments: Contains detailed remarks on how the calculations are made.
*-------------------------------------------------------------------------------
* This tests the option of doing muonic calculations with the rasscf module.
*
* As the input is structured the muonic basis set comes first in the combined list of
* muonic and electronic basis functions. The integral codes knows the difference between
* the different types of basis functions and knows when matrix elements are zero due
* to different particle types.
* For example, for one-electron integrals both basis functions must be of the same type,
* while for two-electron integrals Coulombic integrals are non-zero if the set of bra functions
* are of the same type and the ket functions are also of the same type but not necessarily of
* the same type as the bra functions. This also leads to what corresponds to exchange integrals
* being zero unless all functions are of the same type.
*
* The RI option keeps automatically track on the particle type of the auxiliary basis sets.
*
* In this example we will compute the 1s-7s progression of muonic states for the oxygen atom (8 electrons).
* For this reason the muoinc basis set is only based on function with angular momentum l=0 (s-functions).
* The moun will more of less perfectly screen the oxygen nucleus (Z=8) and the effective charge of the
* nucleus with the muon is for the 8 electrons more or less that of nitrogen (Z=7). For this reason we
* will use the nitrogen all-electron basis set rather than the oxygen all-electron basis set.
*
* Note that the muon orbitals are very compact and close to the nucleus. For this reason we use the finite
* nuclei option (FINIte) for a better description of the nucleus rather than that of a point charge.
*
* Moreover, the muon is 200 times heavier than the electrons. In this respect the Born-Oppenheimer
* partitioning is less accurate. To approximately compensate for this we invoke the finte nuclear
* mass correction (FNMC) option.
>>> COPY init.InpOrb .
>>> EXPORT MOLCAS_NOCHECK=RASSCF_ITER,MLTPL
&Gateway
Title
Oxygen atom
expert
Basis set
O.UNC... / inline
8.0 0
* s-type functions
18 18
1.872519206440e9
4.318233463940e8
1.101529966970e8
3.093376892910e7
9.518130226250e6
3.193660119090e6
1.163000649140e6
4.574687063230e5
1.934501001820e5
87526.31076490000000
42170.26657910000000
21533.17602070000000
11597.91223330000000
6557.78978567000000
3874.15571029000000
2379.98666171000000
1513.16332584000000
990.93891863200000
MUON
mO 0.0 0.0 0.0
Nucl=0.19D10
End of basis
*-----------------------------------------------------------------------
Basis set
N.ANO-L-VTZP
N 0.0 0.0 0.0
Nucl=0.19D10
Charge=0.0
End of basis
*-----------------------------------------------------------------------
FNMC
FINIte
noCD
End of input
RICD
&SEWARD
* Here we start by generating the 1s-7s progression of muonic orbitals of the hydrogen-like model.
* In this calculation there are no electrons and the lowest energies are acquired by
* having the 7 orbitals in the active space to be of the muonic type. We get automatically that
* the generated orbitals are either pure electronic or pure muonic orbitals.
*
* This calculation generates an orbital file in which the first 8 orbitals are muonic, this is followed by
* all of the electronic orbitals and then the remaining muonic orbitals.
*&RASSCF
*nActEl=1 0 0
*Inactive=0
*RAS2=7
*SPIN=2
**ciroot=7 7 1
*ciroot
*7 7
*1 2 3 4 5 6 7
*1 0 0 0 0 0 0
* Now we continue and place 8 electrons in an closed-shell configuration with 2 of the 3 2p orbitals
* doubly occupied. To make sure that the starting orbitals correspond to this we change the order of
* the orbitals so that the starting orbitals in the inactive space are electronic while the
* orbitals in the active space are fermionic.
&RASSCF
FILEORB=init.InpOrb
nActEl=1 0 0
Inactive=4
RAS2=7
SPIN=2
ciroot=7 7 1
*ALTER=5; 1 1 9; 1 2 10; 1 3 11; 1 4 12; 1 8 12
>>FILE init.InpOrb
#INPORB 2.2
#INFO
* RASSCF average (pseudo-natural) orbitals
0 1 0
48
48
*BC:HOST lucia PID 79022 DATE Mon Aug 12 16:29:09 2024
#EXTRAS
* ACTIVE TWO-EL ENERGY
0.000000000000E+00
#ORB
* ORBITAL 1 1
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 9.99997848820065E-01 -7.85129152699672E-04
1.20153522704332E-03 -1.37750153883702E-03 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
-5.69040824895952E-04 1.44901678814428E-04 0.00000000000000E+00 0.00000000000000E+00 2.14833285230754E-07
-1.49528171030866E-08 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
* ORBITAL 1 2
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 7.33226634309765E-04 9.99023068990962E-01
4.25917018945109E-02 3.09732011313681E-03 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
-9.12608973410455E-03 -6.74081594408532E-03 0.00000000000000E+00 0.00000000000000E+00 7.38243509402626E-09
-6.20647174524561E-09 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
* ORBITAL 1 3
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 3.13099780983086E-52 -1.65679905419268E-52 2.17144059905259E-52
9.84334272329910E-01 1.74899517054154E-01 2.02600258198489E-02 -1.56610719403679E-51 2.00800825712233E-51
-1.11510260900727E-51 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 3.51527322593463E-08 -9.81647766233333E-43 9.25855903272596E-03 6.90907995354606E-36
-3.02427059209288E-36 7.29524258018699E-36 -8.05963232498880E-37
* ORBITAL 1 4
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 9.84334272497387E-01 1.74899516513150E-01 2.02600250838632E-02
-8.78603580867420E-53 -5.73942430354409E-54 1.60238445510153E-53 1.05439507000641E-52 -1.93873578027537E-52
-2.28864615230429E-52 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 3.07881838121886E-49 7.85237278478275E-51 -2.68660411855251E-50 -9.19080804437700E-50
9.25855305751826E-03 -3.53818181207629E-50 5.98623026847479E-08
* ORBITAL 1 5
4.50680143215643E-06 1.28131128669716E-04 8.11067389036680E-04 3.80347964645222E-03 1.49185397115639E-02
4.75073856549409E-02 1.09576643065084E-01 1.39396453451250E-01 5.08939157269263E-02 -7.27062203073467E-02
-1.95534211585213E-01 7.09267050041603E-01 7.08518146853948E-01 -3.60297677847783E+00 2.56513421707011E+00
4.25454143263390E-01 -2.82750307802944E+00 2.74419240135034E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
* ORBITAL 1 6
-2.14150054013011E-06 -6.13901424073883E-05 -3.88493549473435E-04 -1.84469342663902E-03 -7.43244372590249E-03
-2.58290554781484E-02 -7.30040383655326E-02 -1.42899343875968E-01 -5.26395742542594E-02 5.60650780392066E-01
9.93070830710741E-01 -2.34846806113013E+00 -2.37088683697601E+00 9.72487870238354E+00 -5.93705115655338E+00
-3.40623942022472E+00 3.08279695905167E+00 4.26030891494782E-01 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
* ORBITAL 1 7
-3.82947078288516E-06 -1.08043783932513E-04 -6.84215988078776E-04 -3.17315485360242E-03 -1.21495047889465E-02
-3.54102519633072E-02 -6.17019206780302E-02 -6.73698537207808E-03 -6.81182810583671E-03 -5.53802250880353E-01
-7.32712500088997E-01 9.96314983986008E-01 1.12314804075439E+00 -5.03275330023223E+00 6.12742450877011E+00
-5.00801524585492E-03 -7.51933519279889E+00 4.87157269454008E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
* ORBITAL 1 8
1.99503558177324E-06 5.69981670508719E-05 3.61293960096878E-04 1.71558123214779E-03 6.94676712039571E-03
2.43106400440811E-02 6.96694836913180E-02 1.33663145038968E-01 4.27629644208491E-02 -2.76178321655464E-01
-1.12671393894075E-01 -8.83036393238982E-01 -8.97088317443630E-01 3.48932164648342E+00 -2.47422399482931E+00
-1.86553653672198E-01 2.83968026001752E+00 -1.63242120389797E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
* ORBITAL 1 9
1.20435210717762E-05 3.42001102682552E-04 2.16710617125856E-03 1.01785659285137E-02 4.01982846181418E-02
1.30341585722430E-01 3.16924208874008E-01 4.59455502122970E-01 1.73068959581560E-01 -7.70734725892931E-01
-1.12565656488942E+00 1.65709222647752E+00 1.60089577504925E+00 -3.03195623690362E+00 2.11624579768096E+00
2.19015310772306E-01 -2.36323070894332E+00 1.34844356430707E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
* ORBITAL 1 10
-6.33177543671035E-06 -1.80032870322789E-04 -1.13964482805118E-03 -5.34574362885852E-03 -2.09818185224577E-02
-6.69284013887873E-02 -1.54621145120723E-01 -1.92816799799922E-01 -6.27092765599223E-02 -1.68042983548414E-01
-4.95029551976604E-01 1.68082331816746E+00 1.79730241604089E+00 -7.72161578719484E+00 8.06041656211444E+00
1.49563787051309E+00 -7.92079346490926E+00 4.22421715534279E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
* ORBITAL 1 11
-5.15680386484576E-06 -1.46227630130528E-04 -9.25875794805245E-04 -4.32736128673970E-03 -1.68595701151646E-02
-5.23795526446167E-02 -1.12757632190485E-01 -1.12427934098353E-01 -4.03931366508345E-02 -2.61911535956095E-01
-3.54962471783274E-01 2.15437074608517E-01 -1.21841688849952E-01 5.86724813024782E+00 -9.47484189645706E+00
-8.13959565718810E-01 1.03077906838372E+01 -5.44207583717084E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
* ORBITAL 1 12
-1.13123605642212E-06 -1.95056871659176E-05 -1.54096263362048E-04 -5.93652639109546E-04 -2.98977322826091E-03
-7.93199002844662E-03 -3.16381937223601E-02 -3.26621305938657E-02 -1.01016018279278E-01 5.37188070361770E-01
-3.10563257491447E-01 1.57882045614010E+00 -1.36561131198170E+01 4.53443418110706E+01 -8.58651956742607E+01
1.00151123630721E+02 -6.73233946735455E+01 1.99019447350290E+01 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
* ORBITAL 1 13
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 8.78797945109450E-53 -7.46210012072101E-52 8.29115638243783E-52
-1.29214892641442E-53 2.24861180144066E-53 4.45687444019875E-53 6.97483935718615E-01 6.68452973147916E-01
2.58164113636325E-01 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 3.59964068957269E-50 3.87035813341807E-51 8.80197554130140E-50 6.16784538198127E-03
4.60266803651894E-36 -1.09595219868122E-09 -2.02420408639111E-36
* ORBITAL 1 14
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 -3.19218813472696E-04 -3.75332762560684E-02
8.48576841473633E-01 5.27041514163116E-01 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
1.27769521639813E-02 2.39266838283313E-02 0.00000000000000E+00 0.00000000000000E+00 -3.32647654154485E-09
-6.46877654227812E-09 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
* ORBITAL 1 15
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 -2.11796960821984E-52 6.18650372428627E-53 -9.91010967764786E-53
-1.63412421744661E-01 8.64938781304970E-01 4.74510225960560E-01 7.85701689121956E-52 -8.24657607351312E-52
5.31565644467434E-52 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 -2.62264329748899E-10 7.32378937217657E-45 -4.16283085631655E-03 -3.10645359493536E-36
1.35977309448193E-36 -3.28008687273842E-36 3.62393841588951E-37
* ORBITAL 1 16
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 -1.63412420996227E-01 8.64938781878431E-01 4.74510225171704E-01
3.67738966155093E-53 3.08484962144236E-53 8.09042026986315E-54 -3.38615045353396E-53 1.00152196073832E-52
1.07918023427556E-52 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 -1.32989520616293E-49 -3.39185887745326E-51 1.16258919020459E-50 3.97183410011309E-50
-4.16283100360345E-03 1.52736104146146E-50 -1.20463669143206E-09
* ORBITAL 1 17
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 -2.54038019745903E-52 1.28463987768629E-51 -1.44600383081978E-51
5.39105405859704E-53 -2.14432814582447E-52 -1.73692586932449E-52 -7.01493014533759E-01 5.63694544260756E-01
4.35936319290803E-01 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 -6.01627767516890E-50 -6.46038792506821E-51 -1.46882599976514E-49 -1.07495998289545E-02
-8.02173793299538E-36 1.85398202338675E-09 3.52787441872992E-36
* ORBITAL 1 18
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 2.57881710805903E-04 1.18126483624738E-02
-1.54077093214817E-02 -2.44936299229759E-02 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
6.55735895169005E-01 7.54343067812425E-01 0.00000000000000E+00 0.00000000000000E+00 1.31003330471181E-07
1.48942481774668E-07 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
* ORBITAL 1 19
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 6.57294956293078E-01 7.53633405011671E-01
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
* ORBITAL 1 20
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 6.57294955112068E-01 7.53633406041710E-01 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
* ORBITAL 1 21
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 -1.30635702776145E-07 -2.62990678481015E-09
6.59703772683161E-09 1.24325552200630E-08 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
-1.29716472807595E-07 -1.49569759207297E-07 0.00000000000000E+00 0.00000000000000E+00 6.60149050563942E-01
7.51134608259808E-01 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
* ORBITAL 1 22
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 6.60149049766629E-01 7.51134608960577E-01 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
* ORBITAL 1 23
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 -9.94221977413817E-53 4.44244707406051E-53 -4.69532824313564E-53
6.54926735620792E-02 -4.70414886147952E-01 8.80008936895112E-01 4.68834314312289E-52 -4.92385051484259E-52
2.39220327320863E-52 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 4.05933404910367E-09 -1.13357793727127E-43 -2.19694926144769E-03 -1.63944090734832E-36
7.17625606229885E-37 -1.73107838122762E-36 1.91259235070536E-37
* ORBITAL 1 24
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 6.54926737921749E-02 -4.70414885293903E-01 8.80008937330320E-01
1.79365850967763E-53 1.36993497130066E-53 9.45177252947989E-54 -1.07707945777856E-53 5.30099856738135E-53
5.58434093746043E-53 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 5.74195636473746E-49 1.46411484958417E-50 -4.75817194872141E-50 -1.69028286343240E-49
-2.19695094633338E-03 -6.71243150028641E-50 5.09465423572792E-09
* ORBITAL 1 25
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 -2.39919314597264E-53 1.79938361172275E-52 -2.08351880580207E-52
7.30001206294078E-54 -2.44564262141019E-53 -3.60613085553803E-53 1.45906232682741E-01 -4.85198558189416E-01
8.62143517709891E-01 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 1.41848296417907E-49 1.57408729905355E-50 3.60253485868984E-49 -1.51606097934378E-03
-1.13134049857163E-36 1.88638927904091E-09 4.97550677671890E-37
* ORBITAL 1 26
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 1.82293041890894E-03 1.99772670481551E-02
-5.27097383016780E-01 8.49476288771385E-01 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
8.86375620217462E-03 8.79792896250432E-03 0.00000000000000E+00 0.00000000000000E+00 -5.07096343744988E-09
-1.30459875716826E-09 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
* ORBITAL 1 27
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 5.22737944063070E-04 2.21686930929524E-03
5.72701211717220E-03 2.41833717067944E-03 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
7.54774807333248E-01 -6.55950597754243E-01 0.00000000000000E+00 0.00000000000000E+00 1.96346155081001E-07
-1.72825353552125E-07 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
* ORBITAL 1 28
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 7.53633425765923E-01 -6.57294980089241E-01
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
* ORBITAL 1 29
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 7.53633426795963E-01 -6.57294978908231E-01 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
* ORBITAL 1 30
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 -1.71377319639276E-07 -9.95392834566962E-09
-5.17047702331481E-09 1.14559768963943E-09 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
-1.97290117788326E-07 1.71544610739522E-07 0.00000000000000E+00 0.00000000000000E+00 7.51134629104148E-01
-6.60149074281208E-01 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
* ORBITAL 1 31
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 7.51134629804948E-01 -6.60149073483892E-01 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
* ORBITAL 1 32
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 2.03678657146277E-50 -1.19124702705204E-49 1.35664170122192E-49
-5.14045128789266E-51 1.59979198586035E-50 2.36154309616432E-50 -1.16224454888281E-02 1.20107921632474E-03
4.40122987046715E-03 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 1.70416544197868E-49 -6.94594545551489E-53 -8.71754147551881E-50 9.99922049634799E-01
7.46177391929819E-34 3.31779909817127E-07 -3.28161058744424E-34
* ORBITAL 1 33
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 3.00269597746666E-50 -1.75230269032761E-50 2.49137647834852E-50
-9.65041170017662E-03 9.47849834319936E-04 3.72126287330979E-03 -1.69138480659893E-49 2.16870395104528E-49
-1.20433546070062E-49 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 8.18574767574605E-08 -2.28588796685431E-42 9.99946060214167E-01 7.46195597773525E-34
-3.26628630542291E-34 7.87903724526600E-34 -8.70499478493764E-35
* ORBITAL 1 34
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 -9.65040572941270E-03 9.47850223424591E-04 3.72126455135826E-03
-4.57809394098797E-51 -6.65837661957659E-51 -5.83048179126723E-51 1.17680208070222E-50 -2.57700556986096E-50
-2.65354315528081E-50 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 -9.16685783799131E-50 -2.16165859420333E-51 -5.29499772166340E-49 -4.02437507948495E-49
9.99946060265177E-01 6.91432071409352E-50 7.78442757028907E-08
* ORBITAL 1 35
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 6.41087973671141E-50 -1.52877164760981E-50 2.38441902692503E-50
-4.64775876832754E-50 1.03694065939105E-50 1.21292164335420E-50 5.64582245443282E-09 2.04292392889481E-10
-3.61186042639028E-09 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 4.27645121396962E-50 5.78754494016593E-52 2.86482528735140E-48 -3.31724498358666E-07
-7.87946483407601E-34 9.99999999999945E-01 -1.18316846872668E-34
* ORBITAL 1 36
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 -4.17713435700616E-51 9.06067272877842E-51 -1.04761278102988E-50
9.80420537635386E-52 1.54571462261166E-51 6.56354990704528E-52 -7.21625955799482E-51 8.25116128061170E-51
-7.83182392488461E-51 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 8.68194314183442E-57 9.99999999999999E-01 -2.16307820653099E-35 3.53229191982366E-35
-2.16307820653099E-35 -1.15750896889110E-51 2.79252195681289E-35
* ORBITAL 1 37
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 5.87038022753878E-08 7.10513432791082E-09 5.41421970594728E-09
2.85120959098178E-50 -9.13300199795511E-51 -2.31471373997234E-50 -7.02162896358379E-51 3.42011748771177E-52
-3.23111355987023E-51 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 3.76757250682040E-49 -1.69412376482023E-49 -6.35407109778091E-49 -7.39662331372340E-49
7.83881369949941E-08 3.28900558301779E-49 -9.99999999999995E-01
* ORBITAL 1 38
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 -2.11266523887346E-49 3.27731040753144E-49 -3.85434104569951E-49
-3.41207947545615E-08 -4.08937074113400E-09 -4.46461164271210E-09 -6.45394677875599E-50 7.02700107052967E-50
-7.95252960141142E-50 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 9.99999999999996E-01 -2.79252195681290E-35 -8.21706986513714E-08 3.28186540435975E-34
8.70547592324133E-35 -1.18317020486303E-34 1.08516252552727E-33
* ORBITAL 1 39
7.71494820764077E-09 7.11445204776411E-05 2.81920243516119E-04 2.09574990596866E-03 5.15119681434420E-03
3.13401096100051E-02 3.85971441791643E-02 2.54985895929861E-01 -3.66488378954724E-01 8.61944129347330E-01
-8.14109689206312E+00 2.90986471597526E+01 -6.10542111147442E+01 8.96766499410091E+01 -9.68925170756660E+01
7.49066518369191E+01 -3.70911512150559E+01 8.74475732266358E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
* ORBITAL 1 40
-1.26463579120236E-05 -5.48796339969540E-05 -1.07770614471886E-03 -1.83451775257711E-03 -2.17510088076186E-02
-1.73790185262565E-02 -2.76385977875201E-01 2.12271452100065E-01 -2.28660311496857E+00 1.12712330099586E+01
-2.59958591018140E+01 4.08193931340833E+01 -5.15210052398553E+01 5.56709374509486E+01 -5.08761085565388E+01
3.64488229487853E+01 -1.76423395957039E+01 4.17688492936911E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
* ORBITAL 1 41
-2.56095703770620E-05 4.57588816880823E-04 6.74315358109599E-05 1.31063467124308E-02 -2.69729282771602E-03
2.26266184090550E-01 -2.40539790759441E-01 3.20546403703288E+00 -1.02246462382232E+01 1.72120949209614E+01
-2.19436188037916E+01 2.51368671609637E+01 -2.73898625293146E+01 2.79010388609111E+01 -2.49427770951513E+01
1.76949909843741E+01 -8.50897607098214E+00 2.00348615527954E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
* ORBITAL 1 42
1.38138257796504E-04 -4.94765812028948E-04 7.47767646053915E-03 -1.23343859103253E-02 1.66327910283135E-01
-3.18140225123171E-01 3.37199235843525E+00 -7.83577857331243E+00 1.03494658387900E+01 -1.12646862995510E+01
1.19135240739425E+01 -1.27960327205765E+01 1.37176493719529E+01 -1.39717255705795E+01 1.25539125730127E+01
-8.96452998341477E+00 4.33856300514775E+00 -1.02726198959220E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
* ORBITAL 1 43
-4.33080305754605E-04 4.04918929253316E-03 -1.36785551171892E-02 1.17572008969170E-01 -3.52982616637341E-01
3.10335614494611E+00 -5.68480512270976E+00 6.21404076993151E+00 -5.96101018604206E+00 5.84186725576746E+00
-6.04590808265438E+00 6.51008168086117E+00 -7.02808048125697E+00 7.20132371745147E+00 -6.49587321988386E+00
4.64850989803173E+00 -2.25197384005928E+00 5.33407027368406E-01 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
* ORBITAL 1 44
1.79506755915709E-03 -1.11612806232184E-02 8.20990250996766E-02 -3.37424630060923E-01 2.71758141264041E+00
-4.14857670083621E+00 3.89452910325110E+00 -3.35475959168000E+00 3.04280224176310E+00 -2.97723060723613E+00
3.10653703570025E+00 -3.36894878832623E+00 3.65420084788129E+00 -3.75539758307805E+00 3.39406406589414E+00
-2.43206001548420E+00 1.17933555831456E+00 -2.79532677183861E-01 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
* ORBITAL 1 45
-6.93266286009379E-03 5.57368398968900E-02 -2.95514977703104E-01 2.36202205176888E+00 -3.11350725739330E+00
2.56917543527650E+00 -2.00887120604676E+00 1.68356275079631E+00 -1.53810991167210E+00 1.51904538275325E+00
-1.59504278526363E+00 1.73632207591351E+00 -1.88750267487685E+00 1.94228280339546E+00 -1.75673531446218E+00
1.25937595528364E+00 -6.10850502896673E-01 1.44810832232790E-01 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
* ORBITAL 1 46
3.19200131064215E-02 -2.43093901170323E-01 2.06921736352087E+00 -2.40770003201693E+00 1.77212470266336E+00
-1.26654071275065E+00 9.80347139190937E-01 -8.30697245841500E-01 7.65722989446515E-01 -7.60188358373019E-01
8.00497358435359E-01 -8.72746510632773E-01 9.49541514622856E-01 -9.77567353999521E-01 8.84425933210522E-01
-6.34137215018735E-01 3.07615289928119E-01 -7.29294391353903E-02 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
* ORBITAL 1 47
-1.68745066699965E-01 1.82039567788631E+00 -1.90344498510133E+00 1.26320897669091E+00 -8.29613922996277E-01
5.93478336341378E-01 -4.65053381263079E-01 3.97182911488483E-01 -3.67630086050864E-01 3.65730951186355E-01
-3.85528823342218E-01 4.20554105926329E-01 -4.57693143574685E-01 4.71278050381339E-01 -4.26414613953554E-01
3.05757812667390E-01 -1.48325806663614E-01 3.51658228543527E-02 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
* ORBITAL 1 48
1.52209639866925E+00 -1.48965049475082E+00 9.06002911705088E-01 -5.50560084781109E-01 3.64683649586702E-01
-2.64114143041273E-01 2.08347295826596E-01 -1.78502909349116E-01 1.65463329282232E-01 -1.64722582241069E-01
1.73698076034755E-01 -1.89510938373035E-01 2.06265140345517E-01 -2.12397767398111E-01 1.92183847785384E-01
-1.37806421111457E-01 6.68517706847696E-02 -1.58496500388821E-02 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
#OCC
* OCCUPATION NUMBERS
2.00000000000000E+00 2.00000000000000E+00 2.00000000000000E+00 2.00000000000000E+00 1.42857142857143E-01
1.42857142857143E-01 1.42857142857143E-01 1.42857142857143E-01 1.42857142857143E-01 1.42857142857143E-01
1.42857142857143E-01 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
#OCHR
* OCCUPATION NUMBERS (HUMAN-READABLE)
2.0000 2.0000 2.0000 2.0000 0.1429 0.1429 0.1429 0.1429 0.1429 0.1429
0.1429 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
#ONE
* ONE ELECTRON ENERGIES
-1.5381E+01 -6.1270E-01 -7.0322E-02 -7.0322E-02 -7.3542E+02 -2.4123E+02 -2.1686E+03 -7.8208E+02 -2.5476E+03 -1.5065E+03
-1.2880E+03 -4.8787E+01 2.8614E-01 3.7764E-01 3.9852E-01 3.9852E-01 4.8079E-01 7.4927E-01 7.5266E-01 7.5266E-01
7.6540E-01 7.6540E-01 1.5801E+00 1.5801E+00 1.6023E+00 1.7501E+00 2.6387E+00 2.6440E+00 2.6440E+00 2.6661E+00
2.6661E+00 3.3547E+00 3.3625E+00 3.3625E+00 3.3860E+00 3.3860E+00 3.4261E+00 3.4261E+00 1.1518E+02 7.3053E+02
2.8589E+03 9.8822E+03 3.2599E+04 1.0696E+05 3.6139E+05 1.2921E+06 5.0013E+06 2.1785E+07
#INDEX
* 1234567890
0 iiii222222
1 2sssssssss
2 ssssssssss
3 ssssssssss
4 ssssssss
>>EOF
>>FILE checkfile
* This file is autogenerated:
* Molcas version 24.06-77-g7ee3604a8
* Linux otis 5.15.0-119-generic #129-Ubuntu SMP Fri Aug 2 19:25:20 UTC 2024 x86_64 x86_64 x86_64 GNU/Linux
* Wed Aug 21 13:39:50 2024
*
#>> 1
#> POTNUC="0.0"/12
#>> 2
#> POTNUC="0.0"/12
#> SEWARD_MLTPL1X="0.0"/5
#> SEWARD_KINETIC="13680545.526395637542"/5
#> SEWARD_ATTRACT="-320491.513713109365"/5
#>> 3
#> E_RASSCF[0]="-6607.057659494388"/8
#> E_RASSCF[1]="-1694.594321941881"/8
#> E_RASSCF[2]="-783.632358374651"/8
#> E_RASSCF[3]="-464.687079052858"/8
#> E_RASSCF[4]="-317.110686840913"/8
#> E_RASSCF[5]="-237.060083144643"/8
#> E_RASSCF[6]="-188.944712549032"/8
>>EOF
|
