File: Huz-IIIsu3

package info (click to toggle)
ergo 3.8-1
  • links: PTS, VCS
  • area: main
  • in suites: bullseye, sid
  • size: 17,396 kB
  • sloc: cpp: 94,740; ansic: 17,015; sh: 7,559; makefile: 1,402; yacc: 127; lex: 110; awk: 23
file content (437 lines) | stat: -rw-r--r-- 25,724 bytes parent folder | download | duplicates (3)
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
$Basis = Huz-IIIsu3

$Elements supported
$H C N O F P S 
$
$  REFERENCE
$
a 1
$ HYDROGEN     (6s,2p) -> [4s,2p]                                
$ S-TYPE FUNCTIONS
    9    9    0
  20101.0367285  1.00000000  0.00000000  0.00000000  0.0000000  0.00000000  0.00000000  
      0.0000000  0.00000000  0.00000000  
   3019.8740625  0.00000000  1.00000000  0.00000000  0.00000000 0.00000000  0.00000000  
      0.0000000  0.00000000  0.00000000  
    453.6900000  0.00000000  0.00000000  1.00000000  0.00000000 0.00000000  0.00000000  
      0.0000000  0.00000000  0.00000000  
     68.1600000  0.00000000  0.00000000  0.00000000  1.00000000 0.00000000  0.00000000  
      0.0000000  0.00000000  0.00000000  
     10.2465000  0.00000000  0.00000000  0.00000000  0.00000000 1.00000000  0.00000000 
      0.0000000  0.00000000  0.00000000  
      2.3464800  0.00000000  0.00000000  0.00000000  0.00000000 0.00000000  1.00000000  
      0.0000000  0.00000000  0.00000000  
      0.6733200  0.00000000  0.00000000  0.00000000  0.00000000 0.00000000  0.00000000  
      1.0000000  0.00000000  0.00000000  
      0.2246600  0.00000000  0.00000000  0.00000000  0.00000000 0.00000000  0.00000000  
      0.0000000  1.00000000  0.00000000  
      0.0822170  0.00000000  0.00000000  0.00000000  0.00000000 0.00000000  0.00000000  
      0.0000000  0.00000000  1.00000000  
$ P-TYPE FUNCTIONS
    2    2    0
     1.30000000  1.00000000  0.000000000          
     0.33000000  0.00000000  1.000000000             
a 6
$ CARBON       (11s,7p,2d) -> [7s,6p,2d]                          
$ S-TYPE FUNCTIONS
   14   14    0
 5024621.074000   1.000000000 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000 
       0.000000   0.000000000 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
       0.000000 
  744894.291822   0.000000000 1.00000000  0.00000000  0.00000000  0.00000000  0.00000000 
       0.000000   0.000000000 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
       0.000000 
  110429.704218   0.000000000 0.00000000  1.00000000  0.00000000  0.00000000  0.00000000 
       0.000000   0.000000000 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
       0.000000 
   16371.074000   0.000000000 0.00000000  0.00000000  1.00000000  0.00000000  0.00000000 
       0.000000   0.000000000 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
       0.000000 
    2426.992500   0.000000000 0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
       0.000000   0.000000000 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
       0.000000 
     544.544180   0.000000000 0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
       0.000000   0.000000000 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
       0.000000 
     150.804870   0.000000000 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
       1.000000   0.000000000 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
       0.000000 
      47.708143   0.000000000 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
       0.000000   1.000000000 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
       0.000000 
      16.457241   0.000000000 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
       0.000000   0.000000000 1.00000000  0.00000000  0.00000000  0.00000000  0.00000000
       0.000000 
       6.084558   0.000000000 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
       0.000000   0.000000000 0.00000000  1.00000000  0.00000000  0.00000000  0.00000000
       0.000000 
       2.382463   0.000000000 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
       0.000000   0.000000000 0.00000000  0.00000000  1.00000000  0.00000000  0.00000000 
       0.000000 
       0.661987   0.000000000 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
       0.000000   0.000000000 0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
       0.000000 
       0.246990   0.000000000 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
       0.000000   0.000000000 0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
       0.000000 
       0.094987   0.000000000 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
       0.000000   0.000000000 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000 
       1.000000 
$ P-TYPE FUNCTIONS
    7    6    0
    40.79042300  0.004096975 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000 
     9.50346330  0.027584766 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     2.94083570  0.000000000 1.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     1.07511150  0.000000000 0.00000000  1.00000000  0.00000000  0.00000000  0.00000000
     0.42670240  0.000000000 0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
     0.17481926  0.000000000 0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
     0.07113054  0.000000000 0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ D-TYPE FUNCTIONS
    2    2    0
     1.40000000  1.000000000 0.00000000      
     0.35000000  0.000000000 1.00000000      
a 7
$ NITROGEN     (11s,7p,2d) -> [7s,6p,2d]                          
$ S-TYPE FUNCTIONS
   14   14    0
 7034643.125099  1.000000000 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
       0.0       0.000000000 0.0         0.0         0.0         0.0         0.0         
       0.0      
 1048231.131883  0.000000000 1.00000000  0.00000000  0.00000000  0.00000000  0.00000000
       0.0       0.000000000 0.0         0.0         0.0         0.0         0.0         
       0.0     
  156196.765964  0.000000000 0.00000000  1.00000000  0.00000000  0.00000000  0.00000000
       0.0       0.000000000 0.0         0.0         0.0         0.0         0.0         
       0.0      
   23274.857000  0.000000000 0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
       0.0       0.000000000 0.0         0.0         0.0         0.0         0.0         
       0.0      
    3468.183000  0.000000000 0.0         0.0         0.0         1.0         0.0       
       0.0       0.000000000 0.0         0.0         0.0         0.0         0.0         
       0.0      
     777.988430  0.000000000 0.0         0.0         0.0         0.0         1.0         
       0.0       0.000000000 0.0         0.0         0.0         0.0         0.0         
       0.0      
     215.719760  0.000000000 0.0         0.0         0.0         0.0         0.0         
       1.0       0.000000000 0.0         0.0         0.0         0.0         0.0         
       0.0     
      68.078031  0.000000000 0.0         0.0         0.0         0.0         0.0         
       0.0       1.000000000 0.0         0.0         0.0         0.0         0.0         
       0.0     
      23.424397  0.000000000 0.0         0.0         0.0         0.0         0.0         
       0.0       0.000000000 1.0         0.0         0.0         0.0         0.0         
       0.0     
       8.669377  0.000000000 0.0         0.0         0.0         0.0         0.0      
       0.0       0.000000000 0.0         1.0         0.0         0.0         0.0         
       0.0      
       3.421753  0.000000000 0.0         0.0         0.0         0.0         0.0         
       0.0       0.000000000 0.0         0.0         1.0         0.0         0.0         
       0.0     
       0.931257  0.000000000 0.0         0.0         0.0         0.0         0.0         
       0.0       0.000000000 0.0         0.0         0.0         1.0         0.0         
       0.0     
       0.346569  0.000000000 0.0         0.0         0.0         0.0         0.0         
       0.0       0.000000000 0.0         0.0         0.0         0.0         1.0         
       0.0     
       0.133115  0.000000000 0.0         0.0         0.0         0.0         0.0         
       0.0       0.000000000 0.0         0.0         0.0         0.0         0.0         
       1.0      
$ P-TYPE FUNCTIONS
    7    6    0
    60.31724000  0.003976577 0.00        0.00        0.00        0.00        0.00            
    14.10081100  0.027641966 0.00        0.00        0.00        0.00        0.00            
     4.38771790  0.000000000 1.00        0.00        0.00        0.00        0.00            
     1.60827170  0.000000000 0.00        1.00        0.00        0.00        0.00            
     0.63885442  0.000000000 0.00        0.00        1.00        0.00        0.00            
     0.26035829  0.000000000 0.00        0.00        0.00        1.00        0.00            
     0.10396545  0.000000000 0.00        0.00        0.00        0.00        1.00            
$ D-TYPE FUNCTIONS
    2    2    0
     1.4000      1.000       0.000
     0.3500      0.000       1.000
a 8
$ OXYGEN       (11s,7p,2d) -> [7s,6p,2d]                          
$ S-TYPE FUNCTIONS
   14   14    0
 9244485.325780   1.000000000 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000 
       0.000000   0.000000000 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
       0.000000 
 1378691.617270   0.000000000 1.00000000  0.00000000  0.00000000  0.00000000  0.00000000 
       0.000000   0.000000000 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
       0.000000 
  205613.455868   0.000000000 0.00000000  1.00000000  0.00000000  0.00000000  0.00000000 
       0.000000   0.000000000 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
       0.000000 
   30664.503000   0.000000000 0.00000000  0.00000000  1.00000000  0.00000000  0.00000000 
       0.000000   0.000000000 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
       0.000000 
    4573.201400   0.000000000 0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
       0.000000   0.000000000 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
       0.000000 
    1029.552400   0.000000000 0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
       0.000000   0.000000000 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
       0.000000 
     285.904740   0.000000000 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
       1.000000   0.000000000 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
       0.000000 
      90.369653   0.000000000 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
       0.000000   1.000000000 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
       0.000000 
      31.219578   0.000000000 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
       0.000000   0.000000000 1.00000000  0.00000000  0.00000000  0.00000000  0.00000000
       0.000000 
      11.607766   0.000000000 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
       0.000000   0.000000000 0.00000000  1.00000000  0.00000000  0.00000000  0.00000000
       0.000000 
       4.592760   0.000000000 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
       0.000000   0.000000000 0.00000000  0.00000000  1.00000000  0.00000000  0.00000000 
       0.000000 
       1.271172   0.000000000 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
       0.000000   0.000000000 0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
       0.000000 
       0.472140   0.000000000 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
       0.000000   0.000000000 0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
       0.000000 
       0.178965   0.000000000 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
       0.000000   0.000000000 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000 
       1.000000 
$ P-TYPE FUNCTIONS
    7    6    0
    78.70294300  0.004241602 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
    18.40926100  0.029868457 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     5.75308350  0.000000000 1.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     2.11071140  0.000000000 0.00000000  1.00000000  0.00000000  0.00000000  0.00000000
     0.83712087  0.000000000 0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
     0.33907630  0.000000000 0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
     0.13226310  0.000000000 0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ D-TYPE FUNCTIONS
    2    2    0
     1.4000      1.0         0.0        
     0.3500      0.0         1.0        
a 9
$ FLUORINE     (11s,7p,2d) -> [7s,6p,2d]                          
$ S-TYPE FUNCTIONS
   14   14    0
 10040552.76300   1.000000000 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000 
        0.00000   0.000000000 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
        0.00000 
  1561074.76331   0.000000000 1.00000000  0.00000000  0.00000000  0.00000000  0.00000000
        0.00000   0.000000000 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
        0.00000 
   242711.18077   0.000000000 0.00000000  1.00000000  0.00000000  0.00000000  0.00000000 
        0.00000   0.000000000 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
        0.00000 
    37736.00000   0.000000000 0.00000000  0.00000000  1.00000000  0.00000000  0.00000000 
        0.00000   0.000000000 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
        0.00000  
     5867.07910   0.000000000 0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
        0.00000   0.000000000 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
        0.00000  
     1332.46790   0.000000000 0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
        0.00000   0.000000000 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
        0.00000  
      369.44060   0.000000000 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
        1.00000   0.000000000 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
        0.00000  
      116.84300   0.000000000 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
        0.00000   1.000000000 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
        0.00000  
       40.34877  0.000000000 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
        0.00000  0.000000000 1.00000000  0.00000000  0.00000000  0.00000000  0.00000000
        0.00000  
       14.96627   0.000000000 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
        0.00000   0.000000000 0.00000000  1.00000000  0.00000000  0.00000000  0.00000000
        0.00000  
        5.87593   0.000000000 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
        0.00000   0.000000000 0.00000000  0.00000000  1.00000000  0.00000000  0.00000000 
        0.00000  
        1.65334   0.000000000 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
        0.00000   0.000000000 0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
        0.00000   
        0.61084   0.000000000 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
        0.00000   0.000000000 0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
        0.00000  
        0.23329   0.000000000 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
        0.00000   0.000000000 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000 
        1.00000 
$ P-TYPE FUNCTIONS
    7    6    0
   102.26192000  0.004273232 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
    23.93838100  0.030534308 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     7.52059140  0.000000000 1.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     2.77245660  0.000000000 0.00000000  1.00000000  0.00000000  0.00000000  0.00000000
     1.10005140  0.000000000 0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
     0.44677512  0.000000000 0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
     0.17187009  0.000000000 0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ D-TYPE FUNCTIONS
    2    2    0
     1.4000      1.0         0.0       
     0.3500      0.0         1.0        
a 15
$ PHOSPHORUS   (12s,8p,3d) -> [8s,7p,3d]                         
$ S-TYPE FUNCTIONS
   15   15    0
 23068100.15340   1.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
        0.00000   0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
        0.00000   0.00000000
  3454837.18741   0.00000000  1.00000000  0.00000000  0.00000000  0.00000000  0.00000000
        0.00000   0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
        0.00000   0.00000000
   517420.15650   0.00000000  0.00000000  1.00000000  0.00000000  0.00000000  0.00000000
        0.00000   0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
        0.00000   0.00000000
    77492.39800   0.00000000  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
        0.00000   0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
        0.00000   0.00000000
    11605.79400   0.00000000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
        0.00000   0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
        0.00000   0.00000000
     2645.96280   0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
        0.00000   0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
        0.00000   0.00000000
      753.97763   0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
        1.00000   0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
        0.00000   0.00000000
      248.75403   0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
        0.00000   1.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
        0.00000   0.00000000
       91.15662   0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
        0.00000   0.00000000  1.00000000  0.00000000  0.00000000  0.00000000  0.00000000
        0.00000   0.00000000
       36.22562   0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
        0.00000   0.00000000  0.00000000  1.00000000  0.00000000  0.00000000  0.00000000
        0.00000   0.00000000
       15.21116   0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
        0.00000   0.00000000  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
        0.00000   0.00000000
        4.71395   0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
        0.00000   0.00000000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
        0.00000   0.00000000
        1.78254   0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
        0.00000   0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
        0.00000   0.00000000
        0.34271   0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
        0.00000   0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
        1.00000   0.00000000
        0.12471   0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
        0.00000   0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
        0.00000   1.00000000
$ P-TYPE FUNCTIONS
    8    7    0
   447.03882000  0.00282929  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.0        
   108.29827000  0.02130874  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.0          
    34.76738800  0.00000000  1.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.0        
    12.58337900  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000  0.00000000
     0.0        
     4.69885490  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
     0.0        
     1.75275990  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
     0.0        
     0.42209549  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
     0.0       
     0.12532092  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     1.0       
$ D-TYPE FUNCTIONS
    3    3    0
     3.2000      1.00000000  0.0000000   0.0       
     0.8000      0.00000000  1.0000000   0.0        
     0.2000      0.00000000  0.0000000   1.0       
a 16
$ SULFUR       (12s,8p,3d) -> [8s,7p,3d]                         
$ S-TYPE FUNCTIONS
   15   15    0
 29158747.34940  1.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
       0.000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
       0.000000  0.00000000
 4310230.490510  0.00000000  1.00000000  0.00000000  0.00000000  0.00000000  0.00000000
       0.000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
       0.000000  0.00000000
  637135.973596  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000  0.00000000
       0.000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
       0.000000  0.00000000
   94181.100000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
       0.000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
       0.000000  0.00000000
   13921.800000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
       0.000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
       0.000000  0.00000000
    3168.040000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
       0.000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
       0.000000  0.00000000
     901.843000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
       1.000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
       0.000000  0.00000000
     296.954000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
       0.000000  1.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
       0.000000  0.00000000
     108.669000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
       0.000000  0.00000000  1.00000000  0.00000000  0.00000000  0.00000000  0.00000000
       0.000000  0.00000000
      43.157900  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
       0.000000  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000  0.00000000
       0.000000  0.00000000
      18.116800  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
       0.000000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
       0.000000  0.00000000
       5.570960  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
       0.000000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
       0.000000  0.00000000
       2.142870  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
       0.000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
       0.000000  0.00000000
       0.434389  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
       0.000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
       1.000000  0.00000000

   12    8    0
 94181.10000000  0.000305571 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.0          
 13921.80000000  0.002401035 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.0           
  3168.04000000  0.012354308 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.0           
   901.84300000  0.049099148 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.0           
   296.95400000  0.150990180 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.0            
   108.66900000  0.000000000 1.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.0           
    43.15790000  0.000000000 0.00000000  1.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.0          
    18.11680000  0.000000000 0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
     0.00000000  0.0            
     5.57096000  0.000000000 0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
     0.00000000  0.0          
     2.14287000  0.000000000 0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
     0.00000000  0.0          
     0.43438900  0.000000000 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     1.00000000  0.0         
     0.15709300  0.000000000 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  1.0        
$ P-TYPE FUNCTIONS
    8    7    0
   532.03127000  0.002735071 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.0          
   126.63701000  0.021604760 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.0         
    39.75234800  0.000000000 1.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.0         
    14.14024300  0.000000000 0.00000000  1.00000000  0.00000000  0.00000000  0.00000000
     0.0        
     5.26069100  0.000000000 0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
     0.0       
     2.00635500  0.000000000 0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
     0.0        
     0.51597093  0.000000000 0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
     0.0       
     0.14946546  0.000000000 0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     1.0       
$ D-TYPE FUNCTIONS
    3    3    0
     3.2000      1.00000000  0.0000000   0.0
     0.8000      0.00000000  1.0000000   0.0
     0.2000      0.00000000  0.0000000   1.0