WebMO Job Summary

124561: N,N'-dimesitylethanediimine, Natural Bond Orbitals 6.0/NRT - Gaussian

Raw Output

Save Notes

Calculated Quantities

Expand all

Overview

Quantity	Value
Route	#N B3LYP/6-311+G(2d,p) SP GFINPUT POP=(FULL,NBO6Read) Geom=Connectivit
Stoichiometry	C20H24N2
Symmetry	C1
Basis	6-311+G(2d,p)
RB3LYP Energy	-886.338479206 Hartree
Dipole Moment	0.0678 Debye
Server	batch (127000)
CPU time	7980.2 sec

Rotational Constants

Constant	Frequency (GHz)	Frequency (cm-1)
a	0.8166348	0.02724000482
b	0.0927800	0.00309480768
c	0.0902181	0.00300935189

Partial Charges

Atom	Symbol	Charge
1	C	-0.529361
2	C	0.508248
3	C	-0.096572
4	C	0.381375
5	C	-0.630759
6	C	0.682614
7	C	-0.532221
8	H	0.074756
9	C	-0.422509
10	H	0.118591
11	H	0.124085
12	H	0.139518
13	H	0.073421
14	C	-0.532087
15	H	0.142005
16	H	0.137188
17	H	0.123479
18	N	-0.141594
19	C	-0.115388
20	C	-0.114388
21	N	-0.141781
22	C	-0.086467
23	C	0.546448
24	C	-0.442076
25	C	0.611044
26	C	-0.708572
27	C	0.384954
28	C	-0.531736
29	H	0.137285
30	H	0.123455
31	H	0.142138
32	H	0.073182
33	C	-0.416869
34	H	0.128235
35	H	0.139310
36	H	0.116045
37	H	0.074773
38	C	-0.529567
39	H	0.145365
40	H	0.132749
41	H	0.112882
42	H	0.103913
43	H	0.103874
44	H	0.145384
45	H	0.132828
46	H	0.112801

Molecular Orbitals

Display Range		- / 734
Orbital	Symmetry	Occupancy	Energy	Actions
1	-	2	-14.32672 Hartree
2	-	2	-14.32671 Hartree
3	-	2	-10.22546 Hartree
4	-	2	-10.22510 Hartree
5	-	2	-10.20352 Hartree
6	-	2	-10.20350 Hartree
7	-	2	-10.18466 Hartree
8	-	2	-10.18460 Hartree
9	-	2	-10.18077 Hartree
10	-	2	-10.18067 Hartree
11	-	2	-10.17865 Hartree
12	-	2	-10.17863 Hartree
13	-	2	-10.16876 Hartree
14	-	2	-10.16876 Hartree
15	-	2	-10.16694 Hartree
16	-	2	-10.16692 Hartree
17	-	2	-10.16551 Hartree
18	-	2	-10.16544 Hartree
19	-	2	-10.16469 Hartree
20	-	2	-10.16466 Hartree
21	-	2	-10.16154 Hartree
22	-	2	-10.16152 Hartree
23	-	2	-0.95886 Hartree
24	-	2	-0.94048 Hartree
25	-	2	-0.86236 Hartree
26	-	2	-0.85633 Hartree
27	-	2	-0.78955 Hartree
28	-	2	-0.78643 Hartree
29	-	2	-0.78583 Hartree
30	-	2	-0.77787 Hartree
31	-	2	-0.72638 Hartree
32	-	2	-0.70453 Hartree
33	-	2	-0.70360 Hartree
34	-	2	-0.68839 Hartree
35	-	2	-0.68144 Hartree
36	-	2	-0.68071 Hartree
37	-	2	-0.64266 Hartree
38	-	2	-0.59578 Hartree
39	-	2	-0.58314 Hartree
40	-	2	-0.57984 Hartree
41	-	2	-0.56474 Hartree
42	-	2	-0.56430 Hartree
43	-	2	-0.53308 Hartree
44	-	2	-0.50091 Hartree
45	-	2	-0.49515 Hartree
46	-	2	-0.49046 Hartree
47	-	2	-0.46302 Hartree
48	-	2	-0.44944 Hartree
49	-	2	-0.44314 Hartree
50	-	2	-0.43243 Hartree
51	-	2	-0.42585 Hartree
52	-	2	-0.42551 Hartree
53	-	2	-0.42309 Hartree
54	-	2	-0.41723 Hartree
55	-	2	-0.41594 Hartree
56	-	2	-0.41353 Hartree
57	-	2	-0.41187 Hartree
58	-	2	-0.40772 Hartree
59	-	2	-0.40698 Hartree
60	-	2	-0.40497 Hartree
61	-	2	-0.40391 Hartree
62	-	2	-0.39981 Hartree
63	-	2	-0.39753 Hartree
64	-	2	-0.38064 Hartree
65	-	2	-0.37106 Hartree
66	-	2	-0.37050 Hartree
67	-	2	-0.35924 Hartree
68	-	2	-0.35264 Hartree
69	-	2	-0.34978 Hartree
70	-	2	-0.34410 Hartree
71	-	2	-0.33939 Hartree
72	-	2	-0.33652 Hartree
73	-	2	-0.31268 Hartree
74	-	2	-0.28752 Hartree
75	-	2	-0.28548 Hartree
76	-	2	-0.24336 Hartree
77	-	2	-0.24335 Hartree
78	-	2	-0.22828 Hartree
79	-	2	-0.21733 Hartree
80	-	0	-0.08106 Hartree
81	-	0	-0.01191 Hartree
82	-	0	-0.01143 Hartree
83	-	0	-0.00943 Hartree
84	-	0	-0.00220 Hartree
85	-	0	0.00463 Hartree
86	-	0	0.00532 Hartree
87	-	0	0.01286 Hartree
88	-	0	0.01544 Hartree
89	-	0	0.01646 Hartree
90	-	0	0.01924 Hartree
91	-	0	0.02521 Hartree
92	-	0	0.02859 Hartree
93	-	0	0.03054 Hartree
94	-	0	0.03558 Hartree
95	-	0	0.04315 Hartree
96	-	0	0.04449 Hartree
97	-	0	0.04841 Hartree
98	-	0	0.04956 Hartree
99	-	0	0.05224 Hartree
100	-	0	0.05589 Hartree
101	-	0	0.05671 Hartree
102	-	0	0.06224 Hartree
103	-	0	0.06968 Hartree
104	-	0	0.06996 Hartree
105	-	0	0.07388 Hartree
106	-	0	0.07405 Hartree
107	-	0	0.07801 Hartree
108	-	0	0.08012 Hartree
109	-	0	0.08080 Hartree
110	-	0	0.08282 Hartree
111	-	0	0.08808 Hartree
112	-	0	0.09032 Hartree
113	-	0	0.09194 Hartree
114	-	0	0.09582 Hartree
115	-	0	0.10414 Hartree
116	-	0	0.10658 Hartree
117	-	0	0.11144 Hartree
118	-	0	0.11268 Hartree
119	-	0	0.11911 Hartree
120	-	0	0.12171 Hartree
121	-	0	0.12689 Hartree
122	-	0	0.12948 Hartree
123	-	0	0.13332 Hartree
124	-	0	0.13436 Hartree
125	-	0	0.13702 Hartree
126	-	0	0.14119 Hartree
127	-	0	0.14129 Hartree
128	-	0	0.14594 Hartree
129	-	0	0.14655 Hartree
130	-	0	0.14804 Hartree
131	-	0	0.15866 Hartree
132	-	0	0.16185 Hartree
133	-	0	0.16480 Hartree
134	-	0	0.16646 Hartree
135	-	0	0.16912 Hartree
136	-	0	0.17043 Hartree
137	-	0	0.17136 Hartree
138	-	0	0.17211 Hartree
139	-	0	0.17360 Hartree
140	-	0	0.17760 Hartree
141	-	0	0.17816 Hartree
142	-	0	0.18287 Hartree
143	-	0	0.18878 Hartree
144	-	0	0.19004 Hartree
145	-	0	0.19084 Hartree
146	-	0	0.19584 Hartree
147	-	0	0.19623 Hartree
148	-	0	0.20142 Hartree
149	-	0	0.20368 Hartree
150	-	0	0.20587 Hartree
151	-	0	0.20907 Hartree
152	-	0	0.21023 Hartree
153	-	0	0.21349 Hartree
154	-	0	0.21612 Hartree
155	-	0	0.21815 Hartree
156	-	0	0.21886 Hartree
157	-	0	0.22373 Hartree
158	-	0	0.22444 Hartree
159	-	0	0.22728 Hartree
160	-	0	0.22958 Hartree
161	-	0	0.23433 Hartree
162	-	0	0.23500 Hartree
163	-	0	0.23779 Hartree
164	-	0	0.23850 Hartree
165	-	0	0.24277 Hartree
166	-	0	0.24347 Hartree
167	-	0	0.24576 Hartree
168	-	0	0.24653 Hartree
169	-	0	0.25433 Hartree
170	-	0	0.25614 Hartree
171	-	0	0.25660 Hartree
172	-	0	0.25925 Hartree
173	-	0	0.26073 Hartree
174	-	0	0.26442 Hartree
175	-	0	0.26636 Hartree
176	-	0	0.26690 Hartree
177	-	0	0.27536 Hartree
178	-	0	0.27693 Hartree
179	-	0	0.27811 Hartree
180	-	0	0.27984 Hartree
181	-	0	0.28079 Hartree
182	-	0	0.28461 Hartree
183	-	0	0.28688 Hartree
184	-	0	0.29040 Hartree
185	-	0	0.29072 Hartree
186	-	0	0.29122 Hartree
187	-	0	0.30030 Hartree
188	-	0	0.30311 Hartree
189	-	0	0.31020 Hartree
190	-	0	0.31214 Hartree
191	-	0	0.31774 Hartree
192	-	0	0.32212 Hartree
193	-	0	0.32334 Hartree
194	-	0	0.32829 Hartree
195	-	0	0.32889 Hartree
196	-	0	0.33262 Hartree
197	-	0	0.33562 Hartree
198	-	0	0.33884 Hartree
199	-	0	0.34273 Hartree
200	-	0	0.34769 Hartree
201	-	0	0.35451 Hartree
202	-	0	0.36380 Hartree
203	-	0	0.36654 Hartree
204	-	0	0.36967 Hartree
205	-	0	0.37058 Hartree
206	-	0	0.37643 Hartree
207	-	0	0.38287 Hartree
208	-	0	0.38992 Hartree
209	-	0	0.39470 Hartree
210	-	0	0.40466 Hartree
211	-	0	0.41239 Hartree
212	-	0	0.41424 Hartree
213	-	0	0.42620 Hartree
214	-	0	0.43435 Hartree
215	-	0	0.43576 Hartree
216	-	0	0.43701 Hartree
217	-	0	0.44487 Hartree
218	-	0	0.44821 Hartree
219	-	0	0.45296 Hartree
220	-	0	0.45985 Hartree
221	-	0	0.46570 Hartree
222	-	0	0.47371 Hartree
223	-	0	0.48213 Hartree
224	-	0	0.48568 Hartree
225	-	0	0.49379 Hartree
226	-	0	0.49671 Hartree
227	-	0	0.50750 Hartree
228	-	0	0.50838 Hartree
229	-	0	0.51943 Hartree
230	-	0	0.52094 Hartree
231	-	0	0.53273 Hartree
232	-	0	0.53367 Hartree
233	-	0	0.53434 Hartree
234	-	0	0.53847 Hartree
235	-	0	0.54486 Hartree
236	-	0	0.55170 Hartree
237	-	0	0.55380 Hartree
238	-	0	0.55575 Hartree
239	-	0	0.56370 Hartree
240	-	0	0.56879 Hartree
241	-	0	0.57150 Hartree
242	-	0	0.57535 Hartree
243	-	0	0.58160 Hartree
244	-	0	0.58257 Hartree
245	-	0	0.58663 Hartree
246	-	0	0.58943 Hartree
247	-	0	0.60005 Hartree
248	-	0	0.60208 Hartree
249	-	0	0.60433 Hartree
250	-	0	0.60505 Hartree
251	-	0	0.60987 Hartree
252	-	0	0.61197 Hartree
253	-	0	0.61514 Hartree
254	-	0	0.61903 Hartree
255	-	0	0.62271 Hartree
256	-	0	0.62641 Hartree
257	-	0	0.62852 Hartree
258	-	0	0.63104 Hartree
259	-	0	0.63651 Hartree
260	-	0	0.64154 Hartree
261	-	0	0.65102 Hartree
262	-	0	0.65354 Hartree
263	-	0	0.65455 Hartree
264	-	0	0.65789 Hartree
265	-	0	0.65895 Hartree
266	-	0	0.66673 Hartree
267	-	0	0.66989 Hartree
268	-	0	0.67171 Hartree
269	-	0	0.67265 Hartree
270	-	0	0.67460 Hartree
271	-	0	0.67539 Hartree
272	-	0	0.67799 Hartree
273	-	0	0.68030 Hartree
274	-	0	0.68123 Hartree
275	-	0	0.68691 Hartree
276	-	0	0.68908 Hartree
277	-	0	0.69169 Hartree
278	-	0	0.70465 Hartree
279	-	0	0.70505 Hartree
280	-	0	0.70840 Hartree
281	-	0	0.70882 Hartree
282	-	0	0.71168 Hartree
283	-	0	0.72265 Hartree
284	-	0	0.72403 Hartree
285	-	0	0.72870 Hartree
286	-	0	0.72935 Hartree
287	-	0	0.73058 Hartree
288	-	0	0.73412 Hartree
289	-	0	0.74205 Hartree
290	-	0	0.74564 Hartree
291	-	0	0.74805 Hartree
292	-	0	0.74935 Hartree
293	-	0	0.76177 Hartree
294	-	0	0.76569 Hartree
295	-	0	0.76968 Hartree
296	-	0	0.78166 Hartree
297	-	0	0.79006 Hartree
298	-	0	0.80017 Hartree
299	-	0	0.80855 Hartree
300	-	0	0.81450 Hartree
301	-	0	0.81684 Hartree
302	-	0	0.81946 Hartree
303	-	0	0.82692 Hartree
304	-	0	0.82871 Hartree
305	-	0	0.83465 Hartree
306	-	0	0.83591 Hartree
307	-	0	0.83920 Hartree
308	-	0	0.84198 Hartree
309	-	0	0.84805 Hartree
310	-	0	0.85013 Hartree
311	-	0	0.85762 Hartree
312	-	0	0.87300 Hartree
313	-	0	0.87729 Hartree
314	-	0	0.88046 Hartree
315	-	0	0.88457 Hartree
316	-	0	0.89347 Hartree
317	-	0	0.89392 Hartree
318	-	0	0.89444 Hartree
319	-	0	0.89626 Hartree
320	-	0	0.90836 Hartree
321	-	0	0.91038 Hartree
322	-	0	0.91577 Hartree
323	-	0	0.91693 Hartree
324	-	0	0.92076 Hartree
325	-	0	0.93307 Hartree
326	-	0	0.93575 Hartree
327	-	0	0.93985 Hartree
328	-	0	0.95129 Hartree
329	-	0	0.95876 Hartree
330	-	0	0.96270 Hartree
331	-	0	0.97172 Hartree
332	-	0	0.97840 Hartree
333	-	0	0.98693 Hartree
334	-	0	0.99042 Hartree
335	-	0	0.99581 Hartree
336	-	0	1.00316 Hartree
337	-	0	1.00744 Hartree
338	-	0	1.01078 Hartree
339	-	0	1.01457 Hartree
340	-	0	1.01929 Hartree
341	-	0	1.03092 Hartree
342	-	0	1.03133 Hartree
343	-	0	1.04895 Hartree
344	-	0	1.05816 Hartree
345	-	0	1.06581 Hartree
346	-	0	1.07265 Hartree
347	-	0	1.07757 Hartree
348	-	0	1.09253 Hartree
349	-	0	1.09316 Hartree
350	-	0	1.11334 Hartree
351	-	0	1.11534 Hartree
352	-	0	1.12322 Hartree
353	-	0	1.12644 Hartree
354	-	0	1.12919 Hartree
355	-	0	1.14052 Hartree
356	-	0	1.14765 Hartree
357	-	0	1.15350 Hartree
358	-	0	1.15746 Hartree
359	-	0	1.16144 Hartree
360	-	0	1.16483 Hartree
361	-	0	1.16685 Hartree
362	-	0	1.18299 Hartree
363	-	0	1.18881 Hartree
364	-	0	1.19451 Hartree
365	-	0	1.21676 Hartree
366	-	0	1.22053 Hartree
367	-	0	1.22440 Hartree
368	-	0	1.23095 Hartree
369	-	0	1.23842 Hartree
370	-	0	1.23967 Hartree
371	-	0	1.24329 Hartree
372	-	0	1.25288 Hartree
373	-	0	1.25800 Hartree
374	-	0	1.25883 Hartree
375	-	0	1.27065 Hartree
376	-	0	1.27459 Hartree
377	-	0	1.28549 Hartree
378	-	0	1.29659 Hartree
379	-	0	1.29723 Hartree
380	-	0	1.30506 Hartree
381	-	0	1.30895 Hartree
382	-	0	1.31570 Hartree
383	-	0	1.32067 Hartree
384	-	0	1.33432 Hartree
385	-	0	1.33611 Hartree
386	-	0	1.34341 Hartree
387	-	0	1.35085 Hartree
388	-	0	1.35418 Hartree
389	-	0	1.36305 Hartree
390	-	0	1.37283 Hartree
391	-	0	1.37449 Hartree
392	-	0	1.37645 Hartree
393	-	0	1.38287 Hartree
394	-	0	1.39699 Hartree
395	-	0	1.40068 Hartree
396	-	0	1.41759 Hartree
397	-	0	1.42451 Hartree
398	-	0	1.42885 Hartree
399	-	0	1.43612 Hartree
400	-	0	1.43795 Hartree
401	-	0	1.44878 Hartree
402	-	0	1.45303 Hartree
403	-	0	1.46188 Hartree
404	-	0	1.46401 Hartree
405	-	0	1.47565 Hartree
406	-	0	1.48658 Hartree
407	-	0	1.49605 Hartree
408	-	0	1.49896 Hartree
409	-	0	1.50035 Hartree
410	-	0	1.53055 Hartree
411	-	0	1.53445 Hartree
412	-	0	1.54236 Hartree
413	-	0	1.55508 Hartree
414	-	0	1.57199 Hartree
415	-	0	1.57770 Hartree
416	-	0	1.58202 Hartree
417	-	0	1.61398 Hartree
418	-	0	1.62786 Hartree
419	-	0	1.63792 Hartree
420	-	0	1.64007 Hartree
421	-	0	1.65584 Hartree
422	-	0	1.67356 Hartree
423	-	0	1.68387 Hartree
424	-	0	1.69117 Hartree
425	-	0	1.70010 Hartree
426	-	0	1.71052 Hartree
427	-	0	1.73145 Hartree
428	-	0	1.73591 Hartree
429	-	0	1.75389 Hartree
430	-	0	1.76055 Hartree
431	-	0	1.76809 Hartree
432	-	0	1.77221 Hartree
433	-	0	1.78886 Hartree
434	-	0	1.80587 Hartree
435	-	0	1.81026 Hartree
436	-	0	1.81141 Hartree
437	-	0	1.81916 Hartree
438	-	0	1.82782 Hartree
439	-	0	1.82809 Hartree
440	-	0	1.84065 Hartree
441	-	0	1.84206 Hartree
442	-	0	1.85040 Hartree
443	-	0	1.87650 Hartree
444	-	0	1.89452 Hartree
445	-	0	1.90325 Hartree
446	-	0	1.91481 Hartree
447	-	0	1.91750 Hartree
448	-	0	1.93338 Hartree
449	-	0	1.93672 Hartree
450	-	0	1.94365 Hartree
451	-	0	1.94662 Hartree
452	-	0	1.97337 Hartree
453	-	0	1.97659 Hartree
454	-	0	1.98561 Hartree
455	-	0	1.98857 Hartree
456	-	0	1.99273 Hartree
457	-	0	2.00847 Hartree
458	-	0	2.01136 Hartree
459	-	0	2.01649 Hartree
460	-	0	2.02733 Hartree
461	-	0	2.03707 Hartree
462	-	0	2.05735 Hartree
463	-	0	2.06604 Hartree
464	-	0	2.07674 Hartree
465	-	0	2.12312 Hartree
466	-	0	2.13194 Hartree
467	-	0	2.18820 Hartree
468	-	0	2.18975 Hartree
469	-	0	2.20756 Hartree
470	-	0	2.21308 Hartree
471	-	0	2.21613 Hartree
472	-	0	2.22583 Hartree
473	-	0	2.23452 Hartree
474	-	0	2.23880 Hartree
475	-	0	2.24821 Hartree
476	-	0	2.25229 Hartree
477	-	0	2.26534 Hartree
478	-	0	2.27490 Hartree
479	-	0	2.28279 Hartree
480	-	0	2.29065 Hartree
481	-	0	2.30610 Hartree
482	-	0	2.30869 Hartree
483	-	0	2.33329 Hartree
484	-	0	2.34241 Hartree
485	-	0	2.35010 Hartree
486	-	0	2.35262 Hartree
487	-	0	2.35793 Hartree
488	-	0	2.36032 Hartree
489	-	0	2.36294 Hartree
490	-	0	2.36439 Hartree
491	-	0	2.36891 Hartree
492	-	0	2.37282 Hartree
493	-	0	2.37846 Hartree
494	-	0	2.38045 Hartree
495	-	0	2.38662 Hartree
496	-	0	2.38738 Hartree
497	-	0	2.39509 Hartree
498	-	0	2.41604 Hartree
499	-	0	2.44995 Hartree
500	-	0	2.45489 Hartree
501	-	0	2.47178 Hartree
502	-	0	2.47341 Hartree
503	-	0	2.47478 Hartree
504	-	0	2.47982 Hartree
505	-	0	2.59131 Hartree
506	-	0	2.59979 Hartree
507	-	0	2.60468 Hartree
508	-	0	2.61011 Hartree
509	-	0	2.62263 Hartree
510	-	0	2.65847 Hartree
511	-	0	2.67103 Hartree
512	-	0	2.67401 Hartree
513	-	0	2.67535 Hartree
514	-	0	2.69296 Hartree
515	-	0	2.69706 Hartree
516	-	0	2.69832 Hartree
517	-	0	2.70473 Hartree
518	-	0	2.71100 Hartree
519	-	0	2.72103 Hartree
520	-	0	2.73468 Hartree
521	-	0	2.74598 Hartree
522	-	0	2.74834 Hartree
523	-	0	2.76682 Hartree
524	-	0	2.78501 Hartree
525	-	0	2.78585 Hartree
526	-	0	2.79538 Hartree
527	-	0	2.80296 Hartree
528	-	0	2.80518 Hartree
529	-	0	2.81712 Hartree
530	-	0	2.82900 Hartree
531	-	0	2.83817 Hartree
532	-	0	2.85479 Hartree
533	-	0	2.88727 Hartree
534	-	0	2.89558 Hartree
535	-	0	2.89665 Hartree
536	-	0	2.91698 Hartree
537	-	0	2.92086 Hartree
538	-	0	2.92365 Hartree
539	-	0	2.92676 Hartree
540	-	0	2.93155 Hartree
541	-	0	2.94917 Hartree
542	-	0	2.95164 Hartree
543	-	0	2.98057 Hartree
544	-	0	2.98498 Hartree
545	-	0	2.99142 Hartree
546	-	0	3.00929 Hartree
547	-	0	3.02095 Hartree
548	-	0	3.03490 Hartree
549	-	0	3.07922 Hartree
550	-	0	3.08271 Hartree
551	-	0	3.09223 Hartree
552	-	0	3.12743 Hartree
553	-	0	3.13172 Hartree
554	-	0	3.13389 Hartree
555	-	0	3.13480 Hartree
556	-	0	3.15125 Hartree
557	-	0	3.15594 Hartree
558	-	0	3.15961 Hartree
559	-	0	3.17030 Hartree
560	-	0	3.17633 Hartree
561	-	0	3.18914 Hartree
562	-	0	3.19974 Hartree
563	-	0	3.20045 Hartree
564	-	0	3.20259 Hartree
565	-	0	3.21078 Hartree
566	-	0	3.22368 Hartree
567	-	0	3.23405 Hartree
568	-	0	3.25309 Hartree
569	-	0	3.25557 Hartree
570	-	0	3.26399 Hartree
571	-	0	3.27895 Hartree
572	-	0	3.28763 Hartree
573	-	0	3.29177 Hartree
574	-	0	3.29789 Hartree
575	-	0	3.30765 Hartree
576	-	0	3.32192 Hartree
577	-	0	3.32998 Hartree
578	-	0	3.33896 Hartree
579	-	0	3.34052 Hartree
580	-	0	3.34708 Hartree
581	-	0	3.35246 Hartree
582	-	0	3.36508 Hartree
583	-	0	3.36758 Hartree
584	-	0	3.37907 Hartree
585	-	0	3.38385 Hartree
586	-	0	3.39718 Hartree
587	-	0	3.40427 Hartree
588	-	0	3.41977 Hartree
589	-	0	3.42488 Hartree
590	-	0	3.42578 Hartree
591	-	0	3.43415 Hartree
592	-	0	3.44514 Hartree
593	-	0	3.45397 Hartree
594	-	0	3.46654 Hartree
595	-	0	3.46939 Hartree
596	-	0	3.48634 Hartree
597	-	0	3.48811 Hartree
598	-	0	3.49519 Hartree
599	-	0	3.49839 Hartree
600	-	0	3.50189 Hartree
601	-	0	3.50314 Hartree
602	-	0	3.51083 Hartree
603	-	0	3.51392 Hartree
604	-	0	3.51960 Hartree
605	-	0	3.53048 Hartree
606	-	0	3.53443 Hartree
607	-	0	3.54549 Hartree
608	-	0	3.54999 Hartree
609	-	0	3.56052 Hartree
610	-	0	3.56764 Hartree
611	-	0	3.57426 Hartree
612	-	0	3.57679 Hartree
613	-	0	3.58513 Hartree
614	-	0	3.59607 Hartree
615	-	0	3.61030 Hartree
616	-	0	3.62980 Hartree
617	-	0	3.63152 Hartree
618	-	0	3.63436 Hartree
619	-	0	3.64298 Hartree
620	-	0	3.66164 Hartree
621	-	0	3.67236 Hartree
622	-	0	3.67507 Hartree
623	-	0	3.67865 Hartree
624	-	0	3.68101 Hartree
625	-	0	3.69267 Hartree
626	-	0	3.70128 Hartree
627	-	0	3.70187 Hartree
628	-	0	3.70885 Hartree
629	-	0	3.71658 Hartree
630	-	0	3.71981 Hartree
631	-	0	3.72285 Hartree
632	-	0	3.73523 Hartree
633	-	0	3.75938 Hartree
634	-	0	3.76193 Hartree
635	-	0	3.76961 Hartree
636	-	0	3.77228 Hartree
637	-	0	3.78228 Hartree
638	-	0	3.78699 Hartree
639	-	0	3.79332 Hartree
640	-	0	3.81272 Hartree
641	-	0	3.81540 Hartree
642	-	0	3.85672 Hartree
643	-	0	3.85839 Hartree
644	-	0	3.87069 Hartree
645	-	0	3.88480 Hartree
646	-	0	3.89581 Hartree
647	-	0	3.90946 Hartree
648	-	0	3.91618 Hartree
649	-	0	3.92150 Hartree
650	-	0	3.92932 Hartree
651	-	0	3.93784 Hartree
652	-	0	3.96749 Hartree
653	-	0	3.97150 Hartree
654	-	0	3.98504 Hartree
655	-	0	3.99978 Hartree
656	-	0	4.00537 Hartree
657	-	0	4.01222 Hartree
658	-	0	4.04388 Hartree
659	-	0	4.05880 Hartree
660	-	0	4.06906 Hartree
661	-	0	4.07523 Hartree
662	-	0	4.11509 Hartree
663	-	0	4.11613 Hartree
664	-	0	4.15469 Hartree
665	-	0	4.15741 Hartree
666	-	0	4.18148 Hartree
667	-	0	4.18486 Hartree
668	-	0	4.20634 Hartree
669	-	0	4.20911 Hartree
670	-	0	4.20994 Hartree
671	-	0	4.22129 Hartree
672	-	0	4.23555 Hartree
673	-	0	4.23847 Hartree
674	-	0	4.25129 Hartree
675	-	0	4.27330 Hartree
676	-	0	4.27944 Hartree
677	-	0	4.30179 Hartree
678	-	0	4.31331 Hartree
679	-	0	4.31685 Hartree
680	-	0	4.33081 Hartree
681	-	0	4.34585 Hartree
682	-	0	4.35809 Hartree
683	-	0	4.36809 Hartree
684	-	0	4.37411 Hartree
685	-	0	4.38368 Hartree
686	-	0	4.45479 Hartree
687	-	0	4.46295 Hartree
688	-	0	4.52366 Hartree
689	-	0	4.63967 Hartree
690	-	0	4.64182 Hartree
691	-	0	4.66688 Hartree
692	-	0	4.68440 Hartree
693	-	0	4.71489 Hartree
694	-	0	4.71576 Hartree
695	-	0	4.87744 Hartree
696	-	0	4.88072 Hartree
697	-	0	4.89861 Hartree
698	-	0	4.89922 Hartree
699	-	0	5.05122 Hartree
700	-	0	5.06551 Hartree
701	-	0	5.10030 Hartree
702	-	0	5.11962 Hartree
703	-	0	5.15193 Hartree
704	-	0	5.19399 Hartree
705	-	0	5.24176 Hartree
706	-	0	5.30915 Hartree
707	-	0	5.33235 Hartree
708	-	0	5.33346 Hartree
709	-	0	5.51736 Hartree
710	-	0	5.52547 Hartree
711	-	0	5.63531 Hartree
712	-	0	5.78367 Hartree
713	-	0	23.64908 Hartree
714	-	0	23.65044 Hartree
715	-	0	23.93639 Hartree
716	-	0	23.94349 Hartree
717	-	0	23.94968 Hartree
718	-	0	23.95305 Hartree
719	-	0	23.98290 Hartree
720	-	0	24.01615 Hartree
721	-	0	24.01774 Hartree
722	-	0	24.05590 Hartree
723	-	0	24.16694 Hartree
724	-	0	24.17084 Hartree
725	-	0	24.17815 Hartree
726	-	0	24.19050 Hartree
727	-	0	24.19469 Hartree
728	-	0	24.19706 Hartree
729	-	0	24.20486 Hartree
730	-	0	24.21091 Hartree
731	-	0	24.33181 Hartree
732	-	0	24.34139 Hartree
733	-	0	35.73298 Hartree
734	-	0	35.74881 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom	Symbol	Charge
1	C	-0.58709
2	C	-0.02112
3	C	0.12535
4	C	-0.04032
5	C	-0.20063
6	C	-0.03060
7	C	-0.19905
8	H	0.19964
9	C	-0.58219
10	H	0.20499
11	H	0.20716
12	H	0.21081
13	H	0.19780
14	C	-0.58969
15	H	0.21009
16	H	0.21307
17	H	0.20755
18	N	-0.42333
19	C	0.09180
20	C	0.09170
21	N	-0.42336
22	C	0.12537
23	C	-0.02076
24	C	-0.19892
25	C	-0.03059
26	C	-0.20072
27	C	-0.04062
28	C	-0.58971
29	H	0.21309
30	H	0.20756
31	H	0.21012
32	H	0.19778
33	C	-0.58229
34	H	0.20838
35	H	0.21049
36	H	0.20419
37	H	0.19965
38	C	-0.58707
39	H	0.22309
40	H	0.21117
41	H	0.20109
42	H	0.17039
43	H	0.17033
44	H	0.22311
45	H	0.21118
46	H	0.20111

Natural Atomic Orbitals

Display Range		- / 738
Orbital	Description	Occupancy	Energy	Actions
1	C1 Cor(1s)	1.999986520	-10.161413096 Hartree
2	C1 Val(2s)	1.081222855	-0.159150693 Hartree
3	C1 Ryd(3s)	0.000468128	1.252211858 Hartree
4	C1 Ryd(4s)	0.000017130	8.944460225 Hartree
5	C1 Ryd(5s)	0.000004912	13.271231004 Hartree
6	C1 Val(2p)	1.194069845	-0.083363695 Hartree
7	C1 Ryd(3p)	0.002700092	0.623198718 Hartree
8	C1 Ryd(4p)	0.000049334	1.302789756 Hartree
9	C1 Ryd(5p)	0.000015912	2.654275689 Hartree
10	C1 Val(2p)	1.140988654	-0.077512212 Hartree
11	C1 Ryd(3p)	0.001251354	0.575068230 Hartree
12	C1 Ryd(4p)	0.000149631	1.463186773 Hartree
13	C1 Ryd(5p)	0.000029450	2.569960244 Hartree
14	C1 Val(2p)	1.159171006	-0.081441574 Hartree
15	C1 Ryd(3p)	0.000761392	0.578897842 Hartree
16	C1 Ryd(4p)	0.000161490	1.380635408 Hartree
17	C1 Ryd(5p)	0.000019632	2.484797427 Hartree
18	C1 Ryd(3d)	0.001486459	1.631926911 Hartree
19	C1 Ryd(4d)	0.000065405	3.567252340 Hartree
20	C1 Ryd(3d)	0.001530851	1.598984699 Hartree
21	C1 Ryd(4d)	0.000070396	3.523648040 Hartree
22	C1 Ryd(3d)	0.001991662	1.700954386 Hartree
23	C1 Ryd(4d)	0.000051226	3.540993691 Hartree
24	C1 Ryd(3d)	0.000387196	1.644568143 Hartree
25	C1 Ryd(4d)	0.000041139	3.271155059 Hartree
26	C1 Ryd(3d)	0.000384227	1.516383180 Hartree
27	C1 Ryd(4d)	0.000019043	3.025888942 Hartree
28	C2 Cor(1s)	1.999987079	-10.180575873 Hartree
29	C2 Val(2s)	0.887317228	-0.051070022 Hartree
30	C2 Ryd(3s)	0.000475012	1.964198699 Hartree
31	C2 Ryd(4s)	0.000098470	11.307588214 Hartree
32	C2 Ryd(5s)	0.000010768	8.988941696 Hartree
33	C2 Val(2p)	1.077120242	-0.013940002 Hartree
34	C2 Ryd(3p)	0.004033209	0.984197367 Hartree
35	C2 Ryd(4p)	0.000255502	1.515118574 Hartree
36	C2 Ryd(5p)	0.000204790	3.826920690 Hartree
37	C2 Val(2p)	1.034746891	-0.042636285 Hartree
38	C2 Ryd(3p)	0.003099546	1.055242338 Hartree
39	C2 Ryd(4p)	0.000246794	1.276360158 Hartree
40	C2 Ryd(5p)	0.000067089	3.415818787 Hartree
41	C2 Val(2p)	1.006258666	-0.063432182 Hartree
42	C2 Ryd(3p)	0.002371639	0.925026626 Hartree
43	C2 Ryd(4p)	0.000252840	0.890222100 Hartree
44	C2 Ryd(5p)	0.000061949	3.159754467 Hartree
45	C2 Ryd(3d)	0.000571525	2.288349295 Hartree
46	C2 Ryd(4d)	0.000457043	3.445612211 Hartree
47	C2 Ryd(3d)	0.000602836	2.092734441 Hartree
48	C2 Ryd(4d)	0.000209328	3.279786061 Hartree
49	C2 Ryd(3d)	0.000769288	2.293473504 Hartree
50	C2 Ryd(4d)	0.000222203	3.335972641 Hartree
51	C2 Ryd(3d)	0.000536501	2.407322742 Hartree
52	C2 Ryd(4d)	0.000429600	3.483577161 Hartree
53	C2 Ryd(3d)	0.000508850	2.175373375 Hartree
54	C2 Ryd(4d)	0.000205167	3.049842224 Hartree
55	C3 Cor(1s)	1.999985360	-10.203383302 Hartree
56	C3 Val(2s)	0.823440869	-0.042659401 Hartree
57	C3 Ryd(3s)	0.000681383	1.347867584 Hartree
58	C3 Ryd(4s)	0.000008937	19.004285007 Hartree
59	C3 Val(2p)	0.917807543	0.001820798 Hartree
60	C3 Ryd(3p)	0.007239692	1.374515019 Hartree
61	C3 Ryd(4p)	0.000369418	2.246943644 Hartree
62	C3 Ryd(5p)	0.000257447	3.626663445 Hartree
63	C3 Val(2p)	1.076946308	-0.048615234 Hartree
64	C3 Ryd(3p)	0.001629964	0.940621154 Hartree
65	C3 Ryd(4p)	0.000371129	2.027353625 Hartree
66	C3 Ryd(5p)	0.000087152	3.352887672 Hartree
67	C3 Val(2p)	1.035886734	-0.066081866 Hartree
68	C3 Ryd(3p)	0.003749930	0.942094082 Hartree
69	C3 Ryd(4p)	0.000282819	1.442841367 Hartree
70	C3 Ryd(5p)	0.000081538	3.061140744 Hartree
71	C3 Ryd(3d)	0.000983707	2.252570696 Hartree
72	C3 Ryd(4d)	0.000188753	3.514172572 Hartree
73	C3 Ryd(3d)	0.000856653	2.204624875 Hartree
74	C3 Ryd(4d)	0.000285855	3.370179123 Hartree
75	C3 Ryd(3d)	0.001064409	2.538690994 Hartree
76	C3 Ryd(4d)	0.000412097	3.387280441 Hartree
77	C3 Ryd(3d)	0.000753423	2.142794719 Hartree
78	C3 Ryd(4d)	0.000437963	3.574787988 Hartree
79	C3 Ryd(3d)	0.000692951	1.996912594 Hartree
80	C3 Ryd(4d)	0.000144704	3.084287987 Hartree
81	C4 Cor(1s)	1.999986969	-10.184566883 Hartree
82	C4 Val(2s)	0.887675021	-0.053266451 Hartree
83	C4 Ryd(3s)	0.000726370	3.603043139 Hartree
84	C4 Ryd(4s)	0.000114338	9.855603314 Hartree
85	C4 Ryd(5s)	0.000012220	5.738550494 Hartree
86	C4 Val(2p)	1.080642752	-0.023907608 Hartree
87	C4 Ryd(3p)	0.003510184	0.977217215 Hartree
88	C4 Ryd(4p)	0.000244203	1.681473645 Hartree
89	C4 Ryd(5p)	0.000223648	3.743261156 Hartree
90	C4 Val(2p)	1.049827041	-0.041390570 Hartree
91	C4 Ryd(3p)	0.003171747	1.063554736 Hartree
92	C4 Ryd(4p)	0.000225659	1.461349644 Hartree
93	C4 Ryd(5p)	0.000078224	3.411272063 Hartree
94	C4 Val(2p)	1.007264750	-0.066680544 Hartree
95	C4 Ryd(3p)	0.001708537	0.858723000 Hartree
96	C4 Ryd(4p)	0.000257068	1.006992458 Hartree
97	C4 Ryd(5p)	0.000086366	3.070060202 Hartree
98	C4 Ryd(4d)	0.000491216	2.168415828 Hartree
99	C4 Ryd(3d)	0.000510720	3.490431012 Hartree
100	C4 Ryd(3d)	0.000482416	2.158855392 Hartree
101	C4 Ryd(4d)	0.000305841	3.264439980 Hartree
102	C4 Ryd(3d)	0.000816350	2.360696934 Hartree
103	C4 Ryd(4d)	0.000246778	3.381575336 Hartree
104	C4 Ryd(3d)	0.000628350	2.329401021 Hartree
105	C4 Ryd(4d)	0.000365050	3.549962830 Hartree
106	C4 Ryd(3d)	0.000615850	2.055504098 Hartree
107	C4 Ryd(4d)	0.000104646	3.107439012 Hartree
108	C5 Cor(1s)	1.999986141	-10.165346981 Hartree
109	C5 Val(2s)	0.920545103	-0.067207255 Hartree
110	C5 Ryd(3s)	0.000451016	2.014027454 Hartree
111	C5 Ryd(4s)	0.000004297	19.099207309 Hartree
112	C5 Val(2p)	1.080140824	-0.015401568 Hartree
113	C5 Ryd(3p)	0.003908797	0.774322847 Hartree
114	C5 Ryd(4p)	0.000250653	1.237407762 Hartree
115	C5 Ryd(5p)	0.000136569	3.313514250 Hartree
116	C5 Val(2p)	1.110797535	-0.053325113 Hartree
117	C5 Ryd(3p)	0.004145132	1.017809851 Hartree
118	C5 Ryd(4p)	0.000268375	0.966734019 Hartree
119	C5 Ryd(5p)	0.000030101	3.181837567 Hartree
120	C5 Val(2p)	1.071320360	-0.080372352 Hartree
121	C5 Ryd(3p)	0.002964611	0.840382204 Hartree
122	C5 Ryd(4p)	0.000369342	0.678376344 Hartree
123	C5 Ryd(5p)	0.000034265	2.960166452 Hartree
124	C5 Ryd(3d)	0.000764712	2.025208277 Hartree
125	C5 Ryd(4d)	0.000289697	3.651322795 Hartree
126	C5 Ryd(3d)	0.000607818	1.679970186 Hartree
127	C5 Ryd(4d)	0.000159529	3.395585381 Hartree
128	C5 Ryd(3d)	0.001243511	1.774907520 Hartree
129	C5 Ryd(4d)	0.000188569	3.436743356 Hartree
130	C5 Ryd(3d)	0.000919737	2.052813946 Hartree
131	C5 Ryd(4d)	0.000261874	3.616910865 Hartree
132	C5 Ryd(3d)	0.000768169	1.733782083 Hartree
133	C5 Ryd(4d)	0.000076985	3.198439024 Hartree
134	C6 Cor(1s)	1.999986933	-10.178518895 Hartree
135	C6 Val(2s)	0.889770840	-0.055993137 Hartree
136	C6 Ryd(3s)	0.000323304	1.623270624 Hartree
137	C6 Ryd(4s)	0.000068095	4.471405102 Hartree
138	C6 Ryd(5s)	0.000008799	17.380718230 Hartree
139	C6 Val(2p)	1.059998609	-0.025766811 Hartree
140	C6 Ryd(3p)	0.005511275	1.098811547 Hartree
141	C6 Ryd(4p)	0.000178905	1.175737669 Hartree
142	C6 Ryd(5p)	0.000156049	3.584125615 Hartree
143	C6 Val(2p)	1.048392004	-0.032650470 Hartree
144	C6 Ryd(3p)	0.001882230	0.846523559 Hartree
145	C6 Ryd(4p)	0.000249028	0.863703467 Hartree
146	C6 Ryd(5p)	0.000121970	3.077168339 Hartree
147	C6 Val(2p)	1.017661085	-0.059107967 Hartree
148	C6 Ryd(3p)	0.001631480	0.763756625 Hartree
149	C6 Ryd(4p)	0.000227402	0.821886615 Hartree
150	C6 Ryd(5p)	0.000090412	2.745422767 Hartree
151	C6 Ryd(3d)	0.000591592	2.448200599 Hartree
152	C6 Ryd(4d)	0.000334746	3.224541870 Hartree
153	C6 Ryd(3d)	0.000509305	2.347245222 Hartree
154	C6 Ryd(4d)	0.000218166	2.954180292 Hartree
155	C6 Ryd(3d)	0.000737067	2.817962193 Hartree
156	C6 Ryd(4d)	0.000389673	3.234912364 Hartree
157	C6 Ryd(4d)	0.000430865	2.386531354 Hartree
158	C6 Ryd(3d)	0.000492128	3.254355423 Hartree
159	C6 Ryd(3d)	0.000505733	2.312799812 Hartree
160	C6 Ryd(4d)	0.000127835	2.752949918 Hartree
161	C7 Cor(1s)	1.999985951	-10.164598819 Hartree
162	C7 Val(2s)	0.921052217	-0.064903329 Hartree
163	C7 Ryd(3s)	0.000434176	2.086008795 Hartree
164	C7 Ryd(4s)	0.000004235	18.882481118 Hartree
165	C7 Val(2p)	1.099267013	-0.020348440 Hartree
166	C7 Ryd(3p)	0.004360712	0.886368741 Hartree
167	C7 Ryd(4p)	0.000251609	0.986018779 Hartree
168	C7 Ryd(5p)	0.000118474	3.298434346 Hartree
169	C7 Val(2p)	1.101647796	-0.054408173 Hartree
170	C7 Ryd(3p)	0.003811352	0.998067953 Hartree
171	C7 Ryd(4p)	0.000373844	0.842803636 Hartree
172	C7 Ryd(5p)	0.000026588	3.179779769 Hartree
173	C7 Val(2p)	1.059952319	-0.069893120 Hartree
174	C7 Ryd(3p)	0.002247595	0.783160425 Hartree
175	C7 Ryd(4p)	0.000309592	0.802706773 Hartree
176	C7 Ryd(5p)	0.000034865	2.936087751 Hartree
177	C7 Ryd(3d)	0.000602341	1.916421309 Hartree
178	C7 Ryd(4d)	0.000366092	3.623519863 Hartree
179	C7 Ryd(3d)	0.000627397	1.919936062 Hartree
180	C7 Ryd(4d)	0.000219483	3.422155713 Hartree
181	C7 Ryd(3d)	0.001366603	1.934936795 Hartree
182	C7 Ryd(4d)	0.000113773	3.451800094 Hartree
183	C7 Ryd(3d)	0.000943730	2.056892495 Hartree
184	C7 Ryd(4d)	0.000199930	3.583280941 Hartree
185	C7 Ryd(3d)	0.000672262	1.673174417 Hartree
186	C7 Ryd(4d)	0.000064154	3.199078345 Hartree
187	H8 Val(1s)	0.798070375	0.064387569 Hartree
188	H8 Ryd(2s)	0.001167333	1.049244205 Hartree
189	H8 Ryd(3s)	0.000194384	2.404886808 Hartree
190	H8 Ryd(2p)	0.000275605	2.362251367 Hartree
191	H8 Ryd(2p)	0.000413769	2.276386764 Hartree
192	H8 Ryd(2p)	0.000237909	2.055124721 Hartree
193	C9 Cor(1s)	1.999986352	-10.166819328 Hartree
194	C9 Val(2s)	1.080997131	-0.165353699 Hartree
195	C9 Ryd(3s)	0.000211479	1.077294857 Hartree
196	C9 Ryd(4s)	0.000015648	7.526564672 Hartree
197	C9 Ryd(5s)	0.000006739	16.505496375 Hartree
198	C9 Val(2p)	1.079649099	-0.071302957 Hartree
199	C9 Ryd(3p)	0.000953150	0.516129885 Hartree
200	C9 Ryd(4p)	0.000202345	1.638335539 Hartree
201	C9 Ryd(5p)	0.000067803	2.444573659 Hartree
202	C9 Val(2p)	1.209674620	-0.093526545 Hartree
203	C9 Ryd(3p)	0.002280171	0.579022528 Hartree
204	C9 Ryd(4p)	0.000048530	1.406511638 Hartree
205	C9 Ryd(5p)	0.000005441	2.308096772 Hartree
206	C9 Val(2p)	1.201605558	-0.092989618 Hartree
207	C9 Ryd(3p)	0.001407335	0.553201086 Hartree
208	C9 Ryd(4p)	0.000070455	1.345722308 Hartree
209	C9 Ryd(5p)	0.000008239	2.257540008 Hartree
210	C9 Ryd(3d)	0.000405361	1.690369235 Hartree
211	C9 Ryd(4d)	0.000061047	3.114459312 Hartree
212	C9 Ryd(3d)	0.000827751	1.672836349 Hartree
213	C9 Ryd(4d)	0.000045890	3.190815323 Hartree
214	C9 Ryd(3d)	0.001186072	1.757501169 Hartree
215	C9 Ryd(4d)	0.000044303	3.277317604 Hartree
216	C9 Ryd(3d)	0.001509958	1.841321396 Hartree
217	C9 Ryd(4d)	0.000030017	3.407797624 Hartree
218	C9 Ryd(3d)	0.000855954	1.765142834 Hartree
219	C9 Ryd(4d)	0.000033531	3.139307235 Hartree
220	H10 Val(1s)	0.793657414	0.049489228 Hartree
221	H10 Ryd(2s)	0.000657762	0.496973278 Hartree
222	H10 Ryd(3s)	0.000053683	2.317548743 Hartree
223	H10 Ryd(2p)	0.000127530	2.035419372 Hartree
224	H10 Ryd(2p)	0.000433828	2.401860244 Hartree
225	H10 Ryd(2p)	0.000080570	1.950190284 Hartree
226	H11 Val(1s)	0.791450642	0.049234205 Hartree
227	H11 Ryd(2s)	0.000695583	0.478505401 Hartree
228	H11 Ryd(3s)	0.000055824	2.351573423 Hartree
229	H11 Ryd(2p)	0.000224626	2.160063546 Hartree
230	H11 Ryd(2p)	0.000085716	1.980587426 Hartree
231	H11 Ryd(2p)	0.000326944	2.303402887 Hartree
232	H12 Val(1s)	0.787689945	0.047558298 Hartree
233	H12 Ryd(2s)	0.000792111	0.515203197 Hartree
234	H12 Ryd(3s)	0.000047657	2.370668948 Hartree
235	H12 Ryd(2p)	0.000101588	1.976557466 Hartree
236	H12 Ryd(2p)	0.000249832	2.177502112 Hartree
237	H12 Ryd(2p)	0.000310398	2.261809866 Hartree
238	H13 Val(1s)	0.799732210	0.063283929 Hartree
239	H13 Ryd(2s)	0.001329645	1.008494910 Hartree
240	H13 Ryd(3s)	0.000201923	2.410775273 Hartree
241	H13 Ryd(2p)	0.000150101	2.317124382 Hartree
242	H13 Ryd(2p)	0.000445037	2.309382219 Hartree
243	H13 Ryd(2p)	0.000342877	2.089396091 Hartree
244	C14 Cor(1s)	1.999986533	-10.168655195 Hartree
245	C14 Val(2s)	1.081513355	-0.167428583 Hartree
246	C14 Ryd(3s)	0.000458012	1.769724381 Hartree
247	C14 Ryd(4s)	0.000041040	9.639295361 Hartree
248	C14 Ryd(5s)	0.000003756	10.899895612 Hartree
249	C14 Val(2p)	1.178080823	-0.088568615 Hartree
250	C14 Ryd(3p)	0.002546983	0.598885143 Hartree
251	C14 Ryd(4p)	0.000094215	1.626684706 Hartree
252	C14 Ryd(5p)	0.000020448	2.523233447 Hartree
253	C14 Val(2p)	1.129730383	-0.083014932 Hartree
254	C14 Ryd(3p)	0.001100740	0.637883982 Hartree
255	C14 Ryd(4p)	0.000204767	1.865524858 Hartree
256	C14 Ryd(5p)	0.000027773	2.607486924 Hartree
257	C14 Val(2p)	1.189149031	-0.092522431 Hartree
258	C14 Ryd(3p)	0.001057571	0.537136354 Hartree
259	C14 Ryd(4p)	0.000092236	1.414395724 Hartree
260	C14 Ryd(5p)	0.000008901	2.422404565 Hartree
261	C14 Ryd(3d)	0.001666569	1.723629349 Hartree
262	C14 Ryd(4d)	0.000043969	3.532552581 Hartree
263	C14 Ryd(3d)	0.001508635	1.681473315 Hartree
264	C14 Ryd(4d)	0.000039438	3.457216849 Hartree
265	C14 Ryd(3d)	0.000855101	1.678708375 Hartree
266	C14 Ryd(4d)	0.000047919	3.200904335 Hartree
267	C14 Ryd(3d)	0.000397379	1.650736673 Hartree
268	C14 Ryd(4d)	0.000067428	3.187294055 Hartree
269	C14 Ryd(3d)	0.000918750	1.679665081 Hartree
270	C14 Ryd(4d)	0.000031263	3.239468849 Hartree
271	H15 Val(1s)	0.788316100	0.047587083 Hartree
272	H15 Ryd(2s)	0.000865249	0.535154014 Hartree
273	H15 Ryd(3s)	0.000073507	2.419676007 Hartree
274	H15 Ryd(2p)	0.000141747	2.051487474 Hartree
275	H15 Ryd(2p)	0.000104417	1.995686189 Hartree
276	H15 Ryd(2p)	0.000404326	2.457622619 Hartree
277	H16 Val(1s)	0.785289920	0.052840984 Hartree
278	H16 Ryd(2s)	0.000955520	0.580672567 Hartree
279	H16 Ryd(3s)	0.000077734	2.354735270 Hartree
280	H16 Ryd(2p)	0.000272807	2.291783239 Hartree
281	H16 Ryd(2p)	0.000116151	2.070802233 Hartree
282	H16 Ryd(2p)	0.000214031	2.196592213 Hartree
283	H17 Val(1s)	0.790927163	0.051611252 Hartree
284	H17 Ryd(2s)	0.000836382	0.598071943 Hartree
285	H17 Ryd(3s)	0.000069697	2.272683800 Hartree
286	H17 Ryd(2p)	0.000195865	2.174683786 Hartree
287	H17 Ryd(2p)	0.000354312	2.346643938 Hartree
288	H17 Ryd(2p)	0.000065865	1.957276116 Hartree
289	N18 Cor(1s)	1.999991844	-14.326593960 Hartree
290	N18 Val(2s)	1.355723323	-0.384239683 Hartree
291	N18 Ryd(3s)	0.003038906	3.696202441 Hartree
292	N18 Ryd(4s)	0.000185371	2.059447234 Hartree
293	N18 Ryd(5s)	0.000001680	30.753437014 Hartree
294	N18 Val(2p)	1.237032881	-0.140100011 Hartree
295	N18 Ryd(3p)	0.004001127	1.237543267 Hartree
296	N18 Ryd(4p)	0.000458489	1.070812208 Hartree
297	N18 Ryd(5p)	0.000082320	4.549653703 Hartree
298	N18 Val(2p)	1.152816459	-0.192401318 Hartree
299	N18 Ryd(3p)	0.002466825	0.663163859 Hartree
300	N18 Ryd(4p)	0.000131856	0.772070694 Hartree
301	N18 Ryd(5p)	0.000038332	4.059813949 Hartree
302	N18 Val(2p)	1.646738137	-0.215506470 Hartree
303	N18 Ryd(3p)	0.005633165	0.794437866 Hartree
304	N18 Ryd(4p)	0.000395352	0.760081586 Hartree
305	N18 Ryd(5p)	0.000024552	4.458451851 Hartree
306	N18 Ryd(3d)	0.000245885	1.531009438 Hartree
307	N18 Ryd(4d)	0.000102085	5.069002540 Hartree
308	N18 Ryd(3d)	0.004430083	2.146921657 Hartree
309	N18 Ryd(4d)	0.000134862	5.267298531 Hartree
310	N18 Ryd(3d)	0.003282924	1.422093172 Hartree
311	N18 Ryd(4d)	0.000014424	4.943180712 Hartree
312	N18 Ryd(3d)	0.001630638	1.857563459 Hartree
313	N18 Ryd(4d)	0.000060179	5.146788594 Hartree
314	N18 Ryd(3d)	0.004475061	1.655837886 Hartree
315	N18 Ryd(4d)	0.000191476	5.127532719 Hartree
316	C19 Cor(1s)	1.999985492	-10.225179902 Hartree
317	C19 Val(2s)	0.947250711	-0.116275430 Hartree
318	C19 Ryd(3s)	0.006009924	1.722928288 Hartree
319	C19 Ryd(4s)	0.000350398	13.494742643 Hartree
320	C19 Ryd(5s)	0.000016996	4.645680311 Hartree
321	C19 Val(2p)	0.977389266	-0.032381827 Hartree
322	C19 Ryd(3p)	0.004458022	1.071606937 Hartree
323	C19 Ryd(4p)	0.000344808	3.027323655 Hartree
324	C19 Ryd(5p)	0.000257659	3.008337401 Hartree
325	C19 Val(2p)	0.869854193	-0.129304517 Hartree
326	C19 Ryd(3p)	0.001385604	0.691663996 Hartree
327	C19 Ryd(4p)	0.000126533	1.461479420 Hartree
328	C19 Ryd(5p)	0.000088148	1.973440802 Hartree
329	C19 Val(2p)	1.089085708	-0.041125648 Hartree
330	C19 Ryd(3p)	0.005597237	1.233086706 Hartree
331	C19 Ryd(4p)	0.000232919	2.322112868 Hartree
332	C19 Ryd(5p)	0.000113957	2.332128341 Hartree
333	C19 Ryd(3d)	0.000714466	1.928974244 Hartree
334	C19 Ryd(4d)	0.000026182	2.708787165 Hartree
335	C19 Ryd(3d)	0.001317984	2.295013724 Hartree
336	C19 Ryd(4d)	0.000387004	3.406378594 Hartree
337	C19 Ryd(3d)	0.000540299	1.977551749 Hartree
338	C19 Ryd(4d)	0.000035817	2.485817284 Hartree
339	C19 Ryd(3d)	0.001167422	2.483462685 Hartree
340	C19 Ryd(4d)	0.000106716	3.338572399 Hartree
341	C19 Ryd(3d)	0.000864727	2.299003359 Hartree
342	C19 Ryd(4d)	0.000489246	3.353774070 Hartree
343	C20 Cor(1s)	1.999985492	-10.225157622 Hartree
344	C20 Val(2s)	0.947263052	-0.116279171 Hartree
345	C20 Ryd(3s)	0.006009442	1.721635690 Hartree
346	C20 Ryd(4s)	0.000349786	13.492738795 Hartree
347	C20 Ryd(5s)	0.000016964	4.646396932 Hartree
348	C20 Val(2p)	0.977363853	-0.032354927 Hartree
349	C20 Ryd(3p)	0.004459651	1.071480208 Hartree
350	C20 Ryd(4p)	0.000345322	3.028378640 Hartree
351	C20 Ryd(5p)	0.000257749	3.012300433 Hartree
352	C20 Val(2p)	0.869901854	-0.129312864 Hartree
353	C20 Ryd(3p)	0.001388085	0.691762363 Hartree
354	C20 Ryd(4p)	0.000126577	1.460918432 Hartree
355	C20 Ryd(5p)	0.000088350	1.973605385 Hartree
356	C20 Val(2p)	1.089146393	-0.041101988 Hartree
357	C20 Ryd(3p)	0.005598035	1.232926038 Hartree
358	C20 Ryd(4p)	0.000232704	2.320350995 Hartree
359	C20 Ryd(5p)	0.000114154	2.332990234 Hartree
360	C20 Ryd(3d)	0.000714451	1.928793218 Hartree
361	C20 Ryd(4d)	0.000026346	2.708910625 Hartree
362	C20 Ryd(3d)	0.001318356	2.294849076 Hartree
363	C20 Ryd(4d)	0.000386825	3.406601837 Hartree
364	C20 Ryd(3d)	0.000540409	1.977184575 Hartree
365	C20 Ryd(4d)	0.000035743	2.485938564 Hartree
366	C20 Ryd(3d)	0.001167649	2.483324242 Hartree
367	C20 Ryd(4d)	0.000106751	3.338640711 Hartree
368	C20 Ryd(3d)	0.000864039	2.299037697 Hartree
369	C20 Ryd(4d)	0.000489320	3.354364870 Hartree
370	N21 Cor(1s)	1.999991843	-14.326586260 Hartree
371	N21 Val(2s)	1.355738609	-0.384221862 Hartree
372	N21 Ryd(3s)	0.003029319	3.699067785 Hartree
373	N21 Ryd(4s)	0.000185289	2.062804474 Hartree
374	N21 Ryd(5s)	0.000001678	30.749577524 Hartree
375	N21 Val(2p)	1.236991208	-0.140093040 Hartree
376	N21 Ryd(3p)	0.004004260	1.238297604 Hartree
377	N21 Ryd(4p)	0.000458744	1.070603505 Hartree
378	N21 Ryd(5p)	0.000082391	4.549848935 Hartree
379	N21 Val(2p)	1.152904612	-0.192388894 Hartree
380	N21 Ryd(3p)	0.002465867	0.663422794 Hartree
381	N21 Ryd(4p)	0.000132041	0.772465615 Hartree
382	N21 Ryd(5p)	0.000038253	4.059916094 Hartree
383	N21 Val(2p)	1.646715661	-0.215504454 Hartree
384	N21 Ryd(3p)	0.005633238	0.794251362 Hartree
385	N21 Ryd(4p)	0.000395610	0.759865189 Hartree
386	N21 Ryd(5p)	0.000024604	4.458204167 Hartree
387	N21 Ryd(3d)	0.000245750	1.531078706 Hartree
388	N21 Ryd(4d)	0.000102143	5.069062034 Hartree
389	N21 Ryd(3d)	0.004429527	2.146882983 Hartree
390	N21 Ryd(4d)	0.000134830	5.267334653 Hartree
391	N21 Ryd(3d)	0.003284993	1.422338764 Hartree
392	N21 Ryd(4d)	0.000014505	4.943531610 Hartree
393	N21 Ryd(3d)	0.001630359	1.857706580 Hartree
394	N21 Ryd(4d)	0.000060233	5.146808892 Hartree
395	N21 Ryd(3d)	0.004472745	1.655740865 Hartree
396	N21 Ryd(4d)	0.000191352	5.127677480 Hartree
397	C22 Cor(1s)	1.999985362	-10.203407520 Hartree
398	C22 Val(2s)	0.823422095	-0.042683635 Hartree
399	C22 Ryd(3s)	0.000681093	1.347750851 Hartree
400	C22 Ryd(4s)	0.000008908	19.001983971 Hartree
401	C22 Val(2p)	0.917823651	0.001794277 Hartree
402	C22 Ryd(3p)	0.007243959	1.373618693 Hartree
403	C22 Ryd(4p)	0.000371473	2.243502794 Hartree
404	C22 Ryd(5p)	0.000257832	3.628841150 Hartree
405	C22 Val(2p)	1.077038135	-0.048514425 Hartree
406	C22 Ryd(3p)	0.001631449	0.940960644 Hartree
407	C22 Ryd(4p)	0.000371735	2.018204919 Hartree
408	C22 Ryd(5p)	0.000087280	3.351710012 Hartree
409	C22 Val(2p)	1.035777033	-0.066152666 Hartree
410	C22 Ryd(3p)	0.003748676	0.942179706 Hartree
411	C22 Ryd(4p)	0.000282522	1.436382012 Hartree
412	C22 Ryd(5p)	0.000081791	3.059188123 Hartree
413	C22 Ryd(3d)	0.000984541	2.252546333 Hartree
414	C22 Ryd(4d)	0.000189316	3.514948898 Hartree
415	C22 Ryd(3d)	0.000855891	2.203954560 Hartree
416	C22 Ryd(4d)	0.000285596	3.369210741 Hartree
417	C22 Ryd(3d)	0.001063359	2.537382159 Hartree
418	C22 Ryd(4d)	0.000412054	3.386984912 Hartree
419	C22 Ryd(3d)	0.000752536	2.143554600 Hartree
420	C22 Ryd(4d)	0.000438324	3.575648423 Hartree
421	C22 Ryd(3d)	0.000695041	1.996950000 Hartree
422	C22 Ryd(4d)	0.000144651	3.084380949 Hartree
423	C23 Cor(1s)	1.999987082	-10.180672989 Hartree
424	C23 Val(2s)	0.887372017	-0.051113291 Hartree
425	C23 Ryd(3s)	0.000472227	1.979388555 Hartree
426	C23 Ryd(4s)	0.000096128	11.532884983 Hartree
427	C23 Ryd(5s)	0.000010619	8.699700654 Hartree
428	C23 Val(2p)	1.077084129	-0.013822139 Hartree
429	C23 Ryd(3p)	0.004029381	0.984206743 Hartree
430	C23 Ryd(4p)	0.000254789	1.525064866 Hartree
431	C23 Ryd(5p)	0.000206104	3.828802551 Hartree
432	C23 Val(2p)	1.034680618	-0.042567816 Hartree
433	C23 Ryd(3p)	0.003101665	1.054550380 Hartree
434	C23 Ryd(4p)	0.000246454	1.269699113 Hartree
435	C23 Ryd(5p)	0.000067098	3.416823283 Hartree
436	C23 Val(2p)	1.005967659	-0.063642739 Hartree
437	C23 Ryd(3p)	0.002350846	0.923433975 Hartree
438	C23 Ryd(4p)	0.000255051	0.879748465 Hartree
439	C23 Ryd(5p)	0.000061863	3.159531992 Hartree
440	C23 Ryd(3d)	0.000573940	2.286316954 Hartree
441	C23 Ryd(4d)	0.000459769	3.448653479 Hartree
442	C23 Ryd(3d)	0.000604197	2.089345122 Hartree
443	C23 Ryd(4d)	0.000208123	3.280741818 Hartree
444	C23 Ryd(3d)	0.000768780	2.289505462 Hartree
445	C23 Ryd(4d)	0.000221034	3.336890282 Hartree
446	C23 Ryd(3d)	0.000535491	2.405904648 Hartree
447	C23 Ryd(4d)	0.000430626	3.487005883 Hartree
448	C23 Ryd(3d)	0.000509484	2.173521057 Hartree
449	C23 Ryd(4d)	0.000204836	3.052561039 Hartree
450	C24 Cor(1s)	1.999985920	-10.164565249 Hartree
451	C24 Val(2s)	0.920896103	-0.064793411 Hartree
452	C24 Ryd(3s)	0.000439855	2.073732929 Hartree
453	C24 Ryd(4s)	0.000004175	18.861099836 Hartree
454	C24 Val(2p)	1.099624854	-0.020428028 Hartree
455	C24 Ryd(3p)	0.004400471	0.890749973 Hartree
456	C24 Ryd(4p)	0.000251620	0.993619233 Hartree
457	C24 Ryd(5p)	0.000123033	3.309776763 Hartree
458	C24 Val(2p)	1.102151528	-0.054455273 Hartree
459	C24 Ryd(3p)	0.003815936	0.999664503 Hartree
460	C24 Ryd(4p)	0.000357090	0.846787800 Hartree
461	C24 Ryd(5p)	0.000026769	3.189964296 Hartree
462	C24 Val(2p)	1.059074970	-0.070016737 Hartree
463	C24 Ryd(3p)	0.002236413	0.785946452 Hartree
464	C24 Ryd(4p)	0.000318383	0.803007707 Hartree
465	C24 Ryd(5p)	0.000036157	2.941541362 Hartree
466	C24 Ryd(3d)	0.000601810	1.917694631 Hartree
467	C24 Ryd(4d)	0.000368712	3.626182228 Hartree
468	C24 Ryd(3d)	0.000631788	1.919803731 Hartree
469	C24 Ryd(4d)	0.000222235	3.424647616 Hartree
470	C24 Ryd(3d)	0.001363203	1.932199286 Hartree
471	C24 Ryd(4d)	0.000113412	3.454021818 Hartree
472	C24 Ryd(3d)	0.000932771	2.055733659 Hartree
473	C24 Ryd(4d)	0.000200955	3.584962360 Hartree
474	C24 Ryd(3d)	0.000675994	1.669704897 Hartree
475	C24 Ryd(4d)	0.000064383	3.200112975 Hartree
476	C25 Cor(1s)	1.999986922	-10.178543692 Hartree
477	C25 Val(2s)	0.889771204	-0.056002010 Hartree
478	C25 Ryd(3s)	0.000313191	1.617930471 Hartree
479	C25 Ryd(4s)	0.000067010	4.579440667 Hartree
480	C25 Ryd(5s)	0.000008554	17.319926657 Hartree
481	C25 Val(2p)	1.060170315	-0.025674379 Hartree
482	C25 Ryd(3p)	0.005512399	1.097675203 Hartree
483	C25 Ryd(4p)	0.000187427	1.197030223 Hartree
484	C25 Ryd(5p)	0.000154112	3.567776274 Hartree
485	C25 Val(2p)	1.048466899	-0.032372845 Hartree
486	C25 Ryd(3p)	0.001875977	0.855850737 Hartree
487	C25 Ryd(4p)	0.000252697	0.886692601 Hartree
488	C25 Ryd(5p)	0.000121635	3.051616132 Hartree
489	C25 Val(2p)	1.017412674	-0.059163848 Hartree
490	C25 Ryd(3p)	0.001637626	0.769129612 Hartree
491	C25 Ryd(4p)	0.000217573	0.840846967 Hartree
492	C25 Ryd(5p)	0.000091343	2.721976555 Hartree
493	C25 Ryd(3d)	0.000587011	2.452664673 Hartree
494	C25 Ryd(4d)	0.000343028	3.226528243 Hartree
495	C25 Ryd(3d)	0.000512701	2.347869118 Hartree
496	C25 Ryd(4d)	0.000214696	2.947405314 Hartree
497	C25 Ryd(3d)	0.000740102	2.818210436 Hartree
498	C25 Ryd(4d)	0.000386815	3.237431834 Hartree
499	C25 Ryd(4d)	0.000435153	2.388341733 Hartree
500	C25 Ryd(3d)	0.000490194	3.260884351 Hartree
501	C25 Ryd(3d)	0.000498021	2.314960754 Hartree
502	C25 Ryd(4d)	0.000130803	2.751988046 Hartree
503	C26 Cor(1s)	1.999986144	-10.165415731 Hartree
504	C26 Val(2s)	0.920684660	-0.067335136 Hartree
505	C26 Ryd(3s)	0.000443896	2.025911242 Hartree
506	C26 Ryd(4s)	0.000004378	19.082053939 Hartree
507	C26 Val(2p)	1.079861191	-0.015216042 Hartree
508	C26 Ryd(3p)	0.003879407	0.774966949 Hartree
509	C26 Ryd(4p)	0.000245449	1.230051647 Hartree
510	C26 Ryd(5p)	0.000131729	3.304275472 Hartree
511	C26 Val(2p)	1.110368394	-0.053115480 Hartree
512	C26 Ryd(3p)	0.004161345	1.017345774 Hartree
513	C26 Ryd(4p)	0.000284054	0.962503102 Hartree
514	C26 Ryd(5p)	0.000029786	3.170046317 Hartree
515	C26 Val(2p)	1.071997394	-0.080382179 Hartree
516	C26 Ryd(3p)	0.002959139	0.837259777 Hartree
517	C26 Ryd(4p)	0.000369667	0.683803359 Hartree
518	C26 Ryd(5p)	0.000033293	2.956604869 Hartree
519	C26 Ryd(3d)	0.000765646	2.029394181 Hartree
520	C26 Ryd(4d)	0.000289062	3.650569539 Hartree
521	C26 Ryd(3d)	0.000608205	1.681685039 Hartree
522	C26 Ryd(4d)	0.000156209	3.393532040 Hartree
523	C26 Ryd(3d)	0.001244302	1.777235028 Hartree
524	C26 Ryd(4d)	0.000186990	3.434737961 Hartree
525	C26 Ryd(3d)	0.000929606	2.053784955 Hartree
526	C26 Ryd(4d)	0.000260150	3.617614354 Hartree
527	C26 Ryd(3d)	0.000766589	1.736430381 Hartree
528	C26 Ryd(4d)	0.000076182	3.197248283 Hartree
529	C27 Cor(1s)	1.999986967	-10.184503084 Hartree
530	C27 Val(2s)	0.887626620	-0.053252514 Hartree
531	C27 Ryd(3s)	0.000721725	3.546910317 Hartree
532	C27 Ryd(4s)	0.000114936	9.926367480 Hartree
533	C27 Ryd(5s)	0.000012138	5.775397223 Hartree
534	C27 Val(2p)	1.080661309	-0.023977017 Hartree
535	C27 Ryd(3p)	0.003514095	0.976848330 Hartree
536	C27 Ryd(4p)	0.000246681	1.672215203 Hartree
537	C27 Ryd(5p)	0.000223356	3.742769436 Hartree
538	C27 Val(2p)	1.050137779	-0.041327700 Hartree
539	C27 Ryd(3p)	0.003177301	1.065130961 Hartree
540	C27 Ryd(4p)	0.000225325	1.458379399 Hartree
541	C27 Ryd(5p)	0.000078233	3.416125789 Hartree
542	C27 Val(2p)	1.007275354	-0.066673243 Hartree
543	C27 Ryd(3p)	0.001718108	0.859326634 Hartree
544	C27 Ryd(4p)	0.000253119	0.998840932 Hartree
545	C27 Ryd(5p)	0.000086341	3.074649887 Hartree
546	C27 Ryd(4d)	0.000488546	2.170749631 Hartree
547	C27 Ryd(3d)	0.000509632	3.489092902 Hartree
548	C27 Ryd(3d)	0.000479679	2.161031535 Hartree
549	C27 Ryd(4d)	0.000306368	3.262239271 Hartree
550	C27 Ryd(3d)	0.000815685	2.364083170 Hartree
551	C27 Ryd(4d)	0.000247850	3.381069885 Hartree
552	C27 Ryd(3d)	0.000630495	2.329869511 Hartree
553	C27 Ryd(4d)	0.000364480	3.548095536 Hartree
554	C27 Ryd(3d)	0.000617589	2.056976944 Hartree
555	C27 Ryd(4d)	0.000104563	3.105102321 Hartree
556	C28 Cor(1s)	1.999986530	-10.168659501 Hartree
557	C28 Val(2s)	1.081508579	-0.167426168 Hartree
558	C28 Ryd(3s)	0.000454730	1.774575797 Hartree
559	C28 Ryd(4s)	0.000040884	9.840727749 Hartree
560	C28 Ryd(5s)	0.000003683	10.648416084 Hartree
561	C28 Val(2p)	1.178105653	-0.088577539 Hartree
562	C28 Ryd(3p)	0.002549045	0.598650685 Hartree
563	C28 Ryd(4p)	0.000094614	1.624116959 Hartree
564	C28 Ryd(5p)	0.000020487	2.526702921 Hartree
565	C28 Val(2p)	1.129728473	-0.083002744 Hartree
566	C28 Ryd(3p)	0.001101643	0.637899155 Hartree
567	C28 Ryd(4p)	0.000205440	1.867653704 Hartree
568	C28 Ryd(5p)	0.000027850	2.611839781 Hartree
569	C28 Val(2p)	1.189152735	-0.092522437 Hartree
570	C28 Ryd(3p)	0.001056408	0.536803405 Hartree
571	C28 Ryd(4p)	0.000092825	1.412098639 Hartree
572	C28 Ryd(5p)	0.000008873	2.425762261 Hartree
573	C28 Ryd(3d)	0.001662167	1.724237770 Hartree
574	C28 Ryd(4d)	0.000043974	3.530940423 Hartree
575	C28 Ryd(3d)	0.001500666	1.682848585 Hartree
576	C28 Ryd(4d)	0.000039386	3.453827801 Hartree
577	C28 Ryd(3d)	0.000848593	1.679583471 Hartree
578	C28 Ryd(4d)	0.000047726	3.198518250 Hartree
579	C28 Ryd(3d)	0.000401019	1.651687021 Hartree
580	C28 Ryd(4d)	0.000067757	3.187416539 Hartree
581	C28 Ryd(3d)	0.000926548	1.680992251 Hartree
582	C28 Ryd(4d)	0.000031136	3.242181983 Hartree
583	H29 Val(1s)	0.785281892	0.052863138 Hartree
584	H29 Ryd(2s)	0.000949358	0.582000388 Hartree
585	H29 Ryd(3s)	0.000077973	2.353543131 Hartree
586	H29 Ryd(2p)	0.000274396	2.294302757 Hartree
587	H29 Ryd(2p)	0.000115525	2.068960999 Hartree
588	H29 Ryd(2p)	0.000212962	2.195239639 Hartree
589	H30 Val(1s)	0.790915500	0.051628917 Hartree
590	H30 Ryd(2s)	0.000833817	0.598266472 Hartree
591	H30 Ryd(3s)	0.000070001	2.272511486 Hartree
592	H30 Ryd(2p)	0.000195749	2.174220714 Hartree
593	H30 Ryd(2p)	0.000355190	2.348097567 Hartree
594	H30 Ryd(2p)	0.000065156	1.956366305 Hartree
595	H31 Val(1s)	0.788288939	0.047603950 Hartree
596	H31 Ryd(2s)	0.000864783	0.535225469 Hartree
597	H31 Ryd(3s)	0.000073415	2.419402774 Hartree
598	H31 Ryd(2p)	0.000140248	2.049124871 Hartree
599	H31 Ryd(2p)	0.000104265	1.994848286 Hartree
600	H31 Ryd(2p)	0.000406409	2.459907988 Hartree
601	H32 Val(1s)	0.799745631	0.063585635 Hartree
602	H32 Ryd(2s)	0.001334035	1.012505677 Hartree
603	H32 Ryd(3s)	0.000203692	2.411105513 Hartree
604	H32 Ryd(2p)	0.000149852	2.317759992 Hartree
605	H32 Ryd(2p)	0.000443784	2.308765625 Hartree
606	H32 Ryd(2p)	0.000344189	2.088961309 Hartree
607	C33 Cor(1s)	1.999986327	-10.166833794 Hartree
608	C33 Val(2s)	1.081003101	-0.165330475 Hartree
609	C33 Ryd(3s)	0.000210583	1.085946032 Hartree
610	C33 Ryd(4s)	0.000015585	7.317493751 Hartree
611	C33 Ryd(5s)	0.000006754	16.718770330 Hartree
612	C33 Val(2p)	1.079794626	-0.071368839 Hartree
613	C33 Ryd(3p)	0.000941468	0.514928647 Hartree
614	C33 Ryd(4p)	0.000201048	1.630798840 Hartree
615	C33 Ryd(5p)	0.000068108	2.444879659 Hartree
616	C33 Val(2p)	1.209662628	-0.093589622 Hartree
617	C33 Ryd(3p)	0.002261665	0.584792540 Hartree
618	C33 Ryd(4p)	0.000048252	1.422427141 Hartree
619	C33 Ryd(5p)	0.000005886	2.294606828 Hartree
620	C33 Val(2p)	1.201495769	-0.092965995 Hartree
621	C33 Ryd(3p)	0.001432635	0.551898481 Hartree
622	C33 Ryd(4p)	0.000068846	1.354067190 Hartree
623	C33 Ryd(5p)	0.000007483	2.250783717 Hartree
624	C33 Ryd(3d)	0.000345934	1.680435600 Hartree
625	C33 Ryd(4d)	0.000056206	3.103782894 Hartree
626	C33 Ryd(3d)	0.000885840	1.661749133 Hartree
627	C33 Ryd(4d)	0.000047608	3.238289211 Hartree
628	C33 Ryd(3d)	0.001241453	1.747819083 Hartree
629	C33 Ryd(4d)	0.000042503	3.313601408 Hartree
630	C33 Ryd(3d)	0.001591037	1.831094826 Hartree
631	C33 Ryd(4d)	0.000029915	3.440217485 Hartree
632	C33 Ryd(3d)	0.000803338	1.740244894 Hartree
633	C33 Ryd(4d)	0.000038046	3.096534664 Hartree
634	H34 Val(1s)	0.790196590	0.048957287 Hartree
635	H34 Ryd(2s)	0.000715084	0.477257973 Hartree
636	H34 Ryd(3s)	0.000056374	2.370343010 Hartree
637	H34 Ryd(2p)	0.000228808	2.165109996 Hartree
638	H34 Ryd(2p)	0.000059521	1.938349369 Hartree
639	H34 Ryd(2p)	0.000362799	2.340291867 Hartree
640	H35 Val(1s)	0.788022352	0.047760349 Hartree
641	H35 Ryd(2s)	0.000775971	0.507216730 Hartree
642	H35 Ryd(3s)	0.000049850	2.374185771 Hartree
643	H35 Ryd(2p)	0.000104837	1.992437203 Hartree
644	H35 Ryd(2p)	0.000314125	2.268356277 Hartree
645	H35 Ryd(2p)	0.000238925	2.175326027 Hartree
646	H36 Val(1s)	0.794486713	0.049680064 Hartree
647	H36 Ryd(2s)	0.000651587	0.506293549 Hartree
648	H36 Ryd(3s)	0.000052640	2.300143702 Hartree
649	H36 Ryd(2p)	0.000112632	2.035199419 Hartree
650	H36 Ryd(2p)	0.000386843	2.361221569 Hartree
651	H36 Ryd(2p)	0.000123748	2.003151516 Hartree
652	H37 Val(1s)	0.798076784	0.064075478 Hartree
653	H37 Ryd(2s)	0.001156064	1.050007712 Hartree
654	H37 Ryd(3s)	0.000191819	2.404720216 Hartree
655	H37 Ryd(2p)	0.000275335	2.365091580 Hartree
656	H37 Ryd(2p)	0.000414939	2.277584027 Hartree
657	H37 Ryd(2p)	0.000236081	2.054099034 Hartree
658	C38 Cor(1s)	1.999986519	-10.161432960 Hartree
659	C38 Val(2s)	1.081225314	-0.159163954 Hartree
660	C38 Ryd(3s)	0.000469889	1.251851458 Hartree
661	C38 Ryd(4s)	0.000017147	8.735478528 Hartree
662	C38 Ryd(5s)	0.000004939	13.519942010 Hartree
663	C38 Val(2p)	1.194009937	-0.083363972 Hartree
664	C38 Ryd(3p)	0.002700984	0.623355389 Hartree
665	C38 Ryd(4p)	0.000048923	1.303739661 Hartree
666	C38 Ryd(5p)	0.000015916	2.652035754 Hartree
667	C38 Val(2p)	1.140699399	-0.077484705 Hartree
668	C38 Ryd(3p)	0.001251807	0.575543214 Hartree
669	C38 Ryd(4p)	0.000149486	1.463274325 Hartree
670	C38 Ryd(5p)	0.000029594	2.567245287 Hartree
671	C38 Val(2p)	1.159497961	-0.081526315 Hartree
672	C38 Ryd(3p)	0.000759396	0.578636030 Hartree
673	C38 Ryd(4p)	0.000160937	1.377791750 Hartree
674	C38 Ryd(5p)	0.000019538	2.481437764 Hartree
675	C38 Ryd(3d)	0.001488323	1.632662934 Hartree
676	C38 Ryd(4d)	0.000065394	3.568042223 Hartree
677	C38 Ryd(3d)	0.001528963	1.599651306 Hartree
678	C38 Ryd(4d)	0.000070094	3.522055700 Hartree
679	C38 Ryd(3d)	0.001986035	1.700984088 Hartree
680	C38 Ryd(4d)	0.000051219	3.539195595 Hartree
681	C38 Ryd(3d)	0.000386355	1.645327935 Hartree
682	C38 Ryd(4d)	0.000041193	3.270474206 Hartree
683	C38 Ryd(3d)	0.000387054	1.517560473 Hartree
684	C38 Ryd(4d)	0.000019165	3.026266684 Hartree
685	H39 Val(1s)	0.775287458	0.065012222 Hartree
686	H39 Ryd(2s)	0.000934426	0.618461348 Hartree
687	H39 Ryd(3s)	0.000076747	2.338854197 Hartree
688	H39 Ryd(2p)	0.000216138	2.174208762 Hartree
689	H39 Ryd(2p)	0.000148463	2.072391226 Hartree
690	H39 Ryd(2p)	0.000249339	2.293614945 Hartree
691	H40 Val(1s)	0.787266823	0.054014474 Hartree
692	H40 Ryd(2s)	0.000877986	0.528049063 Hartree
693	H40 Ryd(3s)	0.000071287	2.427978719 Hartree
694	H40 Ryd(2p)	0.000198742	2.151275712 Hartree
695	H40 Ryd(2p)	0.000238889	2.271126821 Hartree
696	H40 Ryd(2p)	0.000171732	2.108903493 Hartree
697	H41 Val(1s)	0.797446037	0.054665205 Hartree
698	H41 Ryd(2s)	0.000794636	0.573427543 Hartree
699	H41 Ryd(3s)	0.000063788	2.291218334 Hartree
700	H41 Ryd(2p)	0.000269910	2.274662724 Hartree
701	H41 Ryd(2p)	0.000182626	2.134781770 Hartree
702	H41 Ryd(2p)	0.000151489	2.078537920 Hartree
703	H42 Val(1s)	0.825266738	0.024626868 Hartree
704	H42 Ryd(2s)	0.003028633	0.599237101 Hartree
705	H42 Ryd(3s)	0.000138647	2.424537939 Hartree
706	H42 Ryd(2p)	0.000082264	2.247725786 Hartree
707	H42 Ryd(2p)	0.000120901	1.799039852 Hartree
708	H42 Ryd(2p)	0.000973082	2.620915598 Hartree
709	H43 Val(1s)	0.825319886	0.024561146 Hartree
710	H43 Ryd(2s)	0.003032472	0.599241960 Hartree
711	H43 Ryd(3s)	0.000138761	2.424660720 Hartree
712	H43 Ryd(2p)	0.000082295	2.247716672 Hartree
713	H43 Ryd(2p)	0.000121501	1.799409049 Hartree
714	H43 Ryd(2p)	0.000972441	2.620936753 Hartree
715	H44 Val(1s)	0.775264067	0.065064885 Hartree
716	H44 Ryd(2s)	0.000935750	0.619127027 Hartree
717	H44 Ryd(3s)	0.000076779	2.338728920 Hartree
718	H44 Ryd(2p)	0.000216805	2.175414573 Hartree
719	H44 Ryd(2p)	0.000148975	2.073033102 Hartree
720	H44 Ryd(2p)	0.000248249	2.291614466 Hartree
721	H45 Val(1s)	0.787265813	0.054008361 Hartree
722	H45 Ryd(2s)	0.000875726	0.528239775 Hartree
723	H45 Ryd(3s)	0.000070979	2.428036255 Hartree
724	H45 Ryd(2p)	0.000197720	2.149833734 Hartree
725	H45 Ryd(2p)	0.000240141	2.272662279 Hartree
726	H45 Ryd(2p)	0.000171638	2.108180027 Hartree
727	H46 Val(1s)	0.797430616	0.054688819 Hartree
728	H46 Ryd(2s)	0.000793386	0.573289663 Hartree
729	H46 Ryd(3s)	0.000063783	2.291561620 Hartree
730	H46 Ryd(2p)	0.000269919	2.274662630 Hartree
731	H46 Ryd(2p)	0.000181270	2.133047018 Hartree
732	H46 Ryd(2p)	0.000152738	2.080352265 Hartree
733			********** Hartree
734			********** Hartree
735			********** Hartree
736			********** Hartree
737			********** Hartree
738			********** Hartree

Natural Hybrid Orbitals

Display Range		- / 738
Orbital	Description	Occupancy	Energy	Actions
1	CR(1)C1 s(100.00%)	1.999986520	-10.161413096 Hartree
2	CR(1)C2 s(100.00%)	1.999987079	-10.180575873 Hartree
3	CR(1)C3 s(100.00%)	1.999985360	-10.203383302 Hartree
4	CR(1)C4 s(100.00%)	1.999986969	-10.184566883 Hartree
5	CR(1)C5 s(100.00%)	1.999986141	-10.165346981 Hartree
6	CR(1)C6 s(100.00%)	1.999986933	-10.178518895 Hartree
7	CR(1)C7 s(100.00%)	1.999985951	-10.164598819 Hartree
8	CR(1)C9 s(100.00%)	1.999986352	-10.166819328 Hartree
9	CR(1)C14 s(100.00%)	1.999986533	-10.168655195 Hartree
10	CR(1)N18 s(100.00%)	1.999991844	-14.326593960 Hartree
11	CR(1)C19 s(100.00%)	1.999985492	-10.225179902 Hartree
12	CR(1)C20 s(100.00%)	1.999985492	-10.225157622 Hartree
13	CR(1)N21 s(100.00%)	1.999991843	-14.326586260 Hartree
14	CR(1)C22 s(100.00%)	1.999985362	-10.203407520 Hartree
15	CR(1)C23 s(100.00%)	1.999987082	-10.180672989 Hartree
16	CR(1)C24 s(100.00%)	1.999985920	-10.164565249 Hartree
17	CR(1)C25 s(100.00%)	1.999986922	-10.178543692 Hartree
18	CR(1)C26 s(100.00%)	1.999986144	-10.165415731 Hartree
19	CR(1)C27 s(100.00%)	1.999986967	-10.184503084 Hartree
20	CR(1)C28 s(100.00%)	1.999986530	-10.168659501 Hartree
21	CR(1)C33 s(100.00%)	1.999986327	-10.166833794 Hartree
22	CR(1)C38 s(100.00%)	1.999986519	-10.161432960 Hartree
23	LP(1)N18 s(28.47%)p2.50(71.32%)d0.01(0.21%)	1.880818440	-0.311933229 Hartree
24	LP(1)N21 s(28.47%)p2.50(71.32%)d0.01(0.21%)	1.880907737	-0.311926894 Hartree
25	BD(1)C1(C2) 1s(30.48%)p2.28(69.35%)d0.01(0.17%)	0.972925975	-0.046632347 Hartree
26	BD(1)C2(C1) 2s(31.21%)p2.20(68.73%)d0.00(0.05%)	1.023078396	-0.061777815 Hartree
27	BD(1)C1(H44) 1s(23.28%)p3.29(76.62%)d0.00(0.10%)	1.211979122	-0.114318371 Hartree
28	BD(1)H44(C1) 44s(99.94%)p0.00(0.06%)	0.775714701	0.066320488 Hartree
29	BD(1)C1(H45) 1s(22.80%)p3.38(77.10%)d0.00(0.10%)	1.199729760	-0.114496912 Hartree
30	BD(1)H45(C1) 45s(99.95%)p0.00(0.05%)	0.787703230	0.055219575 Hartree
31	BD(1)C1(H46) 1s(23.41%)p3.27(76.50%)d0.00(0.09%)	1.197307402	-0.110754291 Hartree
32	BD(1)H46(C1) 46s(99.94%)p0.00(0.06%)	0.797899062	0.055710170 Hartree
33	BD(1)C2(C3) 2s(33.45%)p1.99(66.46%)d0.00(0.09%)	0.990398829	-0.003495239 Hartree
34	BD(1)C3(C2) 3s(35.36%)p1.83(64.56%)d0.00(0.08%)	1.005595730	-0.013516263 Hartree
35	BD(1)C2(C7) 2s(35.20%)p1.84(64.73%)d0.00(0.07%)	1.014060176	-0.004083284 Hartree
36	BD(1)C7(C2) 7s(36.35%)p1.75(63.53%)d0.00(0.13%)	0.976940471	0.007752848 Hartree
37	BD(2)C2(C7) 2s(0.01%)p1.00(99.95%)d0.00(0.04%)	0.981447979	-0.094326758 Hartree
38	BD(2)C7(C2) 7s(0.00%)p1.00(99.96%)d0.00(0.04%)	1.027779620	-0.102911153 Hartree
39	BD(1)C3(C4) 3s(36.75%)p1.72(63.18%)d0.00(0.08%)	1.006655493	-0.014751502 Hartree
40	BD(1)C4(C3) 4s(33.83%)p1.95(66.08%)d0.00(0.09%)	0.995755626	-0.004208368 Hartree
41	BD(2)C3(C4) 3s(0.00%)p1.00(99.97%)d0.00(0.03%)	1.030437707	-0.106897501 Hartree
42	BD(2)C4(C3) 4s(0.03%)p99.99(99.93%)d1.57(0.04%)	0.999244097	-0.098542330 Hartree
43	BD(1)C3(N18) 3s(27.65%)p2.61(72.24%)d0.00(0.11%)	0.815163968	-0.005415071 Hartree
44	BD(1)N18(C3) 18s(32.69%)p2.05(67.10%)d0.01(0.21%)	1.188901625	-0.212260081 Hartree
45	BD(1)C4(C5) 4s(34.87%)p1.87(65.06%)d0.00(0.07%)	1.013352665	-0.006496918 Hartree
46	BD(1)C5(C4) 5s(36.11%)p1.77(63.75%)d0.00(0.14%)	0.976249820	0.001734086 Hartree
47	BD(1)C4(C14) 4s(31.15%)p2.21(68.80%)d0.00(0.05%)	1.020376553	-0.067269667 Hartree
48	BD(1)C14(C4) 14s(30.57%)p2.27(69.30%)d0.00(0.14%)	0.976329998	-0.055735291 Hartree
49	BD(1)C5(C6) 5s(36.43%)p1.74(63.44%)d0.00(0.13%)	0.987533272	0.005925968 Hartree
50	BD(1)C6(C5) 6s(34.47%)p1.90(65.45%)d0.00(0.08%)	1.007704750	-0.001690105 Hartree
51	BD(2)C5(C6) 5s(0.00%)p1.00(99.96%)d0.00(0.03%)	1.030281901	-0.103570772 Hartree
52	BD(2)C6(C5) 6s(0.01%)p1.00(99.95%)d0.00(0.04%)	0.983740732	-0.093544260 Hartree
53	BD(1)C5(H13) 5s(27.19%)p2.68(72.75%)d0.00(0.05%)	1.195693756	-0.100919236 Hartree
54	BD(1)H13(C5) 13s(99.93%)p0.00(0.07%)	0.800328054	0.065757121 Hartree
55	BD(1)C6(C7) 6s(34.17%)p1.92(65.75%)d0.00(0.08%)	1.008324282	-0.003441713 Hartree
56	BD(1)C7(C6) 7s(36.10%)p1.77(63.77%)d0.00(0.14%)	0.986625362	0.006362131 Hartree
57	BD(1)C6(C9) 6s(31.24%)p2.20(68.72%)d0.00(0.05%)	1.019400733	-0.065408121 Hartree
58	BD(1)C9(C6) 9s(31.00%)p2.22(68.90%)d0.00(0.10%)	0.978953336	-0.053621558 Hartree
59	BD(1)C7(H8) 7s(27.30%)p2.66(72.65%)d0.00(0.05%)	1.197398907	-0.100971440 Hartree
60	BD(1)H8(C7) 8s(99.93%)p0.00(0.07%)	0.798647213	0.066713688 Hartree
61	BD(1)C9(H10) 9s(23.23%)p3.30(76.69%)d0.00(0.08%)	1.199171139	-0.117667100 Hartree
62	BD(1)H10(C9) 10s(99.94%)p0.00(0.06%)	0.794156049	0.050388422 Hartree
63	BD(1)C9(H11) 9s(23.08%)p3.33(76.84%)d0.00(0.08%)	1.200111088	-0.118523045 Hartree
64	BD(1)H11(C9) 11s(99.94%)p0.00(0.06%)	0.791921409	0.050282383 Hartree
65	BD(1)C9(H12) 9s(22.67%)p3.41(77.25%)d0.00(0.08%)	1.198974644	-0.120268808 Hartree
66	BD(1)H12(C9) 12s(99.94%)p0.00(0.06%)	0.788163461	0.049014321 Hartree
67	BD(1)C14(H15) 14s(22.90%)p3.36(77.01%)d0.00(0.09%)	1.199961735	-0.122123095 Hartree
68	BD(1)H15(C14) 15s(99.94%)p0.00(0.06%)	0.788797602	0.048830397 Hartree
69	BD(1)C14(H16) 14s(23.35%)p3.28(76.56%)d0.00(0.09%)	1.205588651	-0.120634799 Hartree
70	BD(1)H16(C14) 16s(99.94%)p0.00(0.06%)	0.785736644	0.053979240 Hartree
71	BD(1)C14(H17) 14s(23.16%)p3.31(76.75%)d0.00(0.09%)	1.202673254	-0.118246782 Hartree
72	BD(1)H17(C14) 17s(99.94%)p0.00(0.06%)	0.791390359	0.052767536 Hartree
73	BD(1)N18(C19) 18s(38.69%)p1.58(61.01%)d0.01(0.30%)	1.185245595	-0.199499400 Hartree
74	BD(1)C19(N18) 19s(35.15%)p1.84(64.72%)d0.00(0.13%)	0.810720931	0.062643060 Hartree
75	BD(2)N18(C19) 18s(0.16%)p99.99(99.56%)d1.78(0.28%)	1.155694330	-0.192868578 Hartree
76	BD(2)C19(N18) 19s(0.20%)p99.99(99.70%)d0.53(0.10%)	0.870254437	-0.127929353 Hartree
77	BD(1)C19(C20) 19s(33.54%)p1.98(66.36%)d0.00(0.10%)	1.007365082	-0.074316784 Hartree
78	BD(1)C20(C19) 20s(33.54%)p1.98(66.36%)d0.00(0.10%)	1.007367320	-0.074318369 Hartree
79	BD(1)C19(H43) 19s(31.31%)p2.19(68.63%)d0.00(0.06%)	1.203557514	-0.147110542 Hartree
80	BD(1)H43(C19) 43s(99.90%)p0.00(0.10%)	0.826140322	0.029642189 Hartree
81	BD(1)C20(N21) 20s(35.15%)p1.84(64.72%)d0.00(0.13%)	0.810708103	0.062651374 Hartree
82	BD(1)N21(C20) 21s(38.69%)p1.58(61.01%)d0.01(0.30%)	1.185268227	-0.199513584 Hartree
83	BD(2)C20(N21) 20s(0.20%)p99.99(99.70%)d0.53(0.10%)	0.870339605	-0.127933767 Hartree
84	BD(2)N21(C20) 21s(0.16%)p99.99(99.56%)d1.79(0.28%)	1.155645193	-0.192855841 Hartree
85	BD(1)C20(H42) 20s(31.31%)p2.19(68.63%)d0.00(0.06%)	1.203579539	-0.147075922 Hartree
86	BD(1)H42(C20) 42s(99.90%)p0.00(0.10%)	0.826087636	0.029704544 Hartree
87	BD(1)N21(C22) 21s(32.68%)p2.05(67.10%)d0.01(0.21%)	1.188874149	-0.212225194 Hartree
88	BD(1)C22(N21) 22s(27.65%)p2.61(72.24%)d0.00(0.11%)	0.815190042	-0.005403734 Hartree
89	BD(1)C22(C23) 22s(35.33%)p1.83(64.59%)d0.00(0.08%)	1.005626736	-0.013821374 Hartree
90	BD(1)C23(C22) 23s(33.43%)p1.99(66.48%)d0.00(0.09%)	0.990410581	-0.003812951 Hartree
91	BD(1)C22(C27) 22s(36.77%)p1.72(63.15%)d0.00(0.08%)	1.006609233	-0.014459290 Hartree
92	BD(1)C27(C22) 27s(33.86%)p1.95(66.06%)d0.00(0.09%)	0.995795360	-0.003929722 Hartree
93	BD(2)C22(C27) 22s(0.00%)p1.00(99.97%)d0.00(0.03%)	1.030409516	-0.106909714 Hartree
94	BD(2)C27(C22) 27s(0.03%)p99.99(99.93%)d1.55(0.04%)	0.999358850	-0.098538895 Hartree
95	BD(1)C23(C24) 23s(35.22%)p1.84(64.71%)d0.00(0.07%)	1.013879495	-0.003701135 Hartree
96	BD(1)C24(C23) 24s(36.39%)p1.74(63.48%)d0.00(0.13%)	0.977071764	0.008026059 Hartree
97	BD(2)C23(C24) 23s(0.01%)p1.00(99.95%)d0.00(0.04%)	0.981289765	-0.094398235 Hartree
98	BD(2)C24(C23) 24s(0.00%)p1.00(99.96%)d0.00(0.04%)	1.027265703	-0.102920158 Hartree
99	BD(1)C23(C38) 23s(31.21%)p2.20(68.73%)d0.00(0.05%)	1.023067028	-0.061819557 Hartree
100	BD(1)C38(C23) 38s(30.48%)p2.28(69.35%)d0.01(0.17%)	0.972946680	-0.046670049 Hartree
101	BD(1)C24(C25) 24s(36.07%)p1.77(63.80%)d0.00(0.14%)	0.986881246	0.006103562 Hartree
102	BD(1)C25(C24) 25s(34.10%)p1.93(65.82%)d0.00(0.08%)	1.008163208	-0.003669234 Hartree
103	BD(1)C24(H37) 24s(27.29%)p2.66(72.66%)d0.00(0.05%)	1.197330877	-0.101117656 Hartree
104	BD(1)H37(C24) 37s(99.93%)p0.00(0.07%)	0.798651431	0.066384623 Hartree
105	BD(1)C25(C26) 25s(34.54%)p1.89(65.38%)d0.00(0.08%)	1.007886203	-0.001044167 Hartree
106	BD(1)C26(C25) 26s(36.46%)p1.74(63.41%)d0.00(0.13%)	0.987268600	0.006366396 Hartree
107	BD(2)C25(C26) 25s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.983700361	-0.093544430 Hartree
108	BD(2)C26(C25) 26s(0.00%)p1.00(99.97%)d0.00(0.03%)	1.030720691	-0.103658295 Hartree
109	BD(1)C25(C33) 25s(31.23%)p2.20(68.72%)d0.00(0.05%)	1.019412426	-0.065406860 Hartree
110	BD(1)C33(C25) 33s(31.00%)p2.22(68.89%)d0.00(0.11%)	0.978943196	-0.053631098 Hartree
111	BD(1)C26(C27) 26s(36.07%)p1.77(63.80%)d0.00(0.14%)	0.976176318	0.001550056 Hartree
112	BD(1)C27(C26) 27s(34.84%)p1.87(65.08%)d0.00(0.07%)	1.013467304	-0.006767187 Hartree
113	BD(1)C26(H32) 26s(27.21%)p2.67(72.74%)d0.00(0.05%)	1.195739665	-0.100798956 Hartree
114	BD(1)H32(C26) 32s(99.93%)p0.00(0.07%)	0.800343114	0.066072752 Hartree
115	BD(1)C27(C28) 27s(31.15%)p2.21(68.80%)d0.00(0.05%)	1.020397439	-0.067289133 Hartree
116	BD(1)C28(C27) 28s(30.56%)p2.27(69.30%)d0.00(0.14%)	0.976308334	-0.055735089 Hartree
117	BD(1)C28(H29) 28s(23.35%)p3.28(76.55%)d0.00(0.09%)	1.205576893	-0.120621644 Hartree
118	BD(1)H29(C28) 29s(99.94%)p0.00(0.06%)	0.785728565	0.053996730 Hartree
119	BD(1)C28(H30) 28s(23.16%)p3.31(76.75%)d0.00(0.09%)	1.202695247	-0.118246922 Hartree
120	BD(1)H30(C28) 30s(99.94%)p0.00(0.06%)	0.791378641	0.052786273 Hartree
121	BD(1)C28(H31) 28s(22.90%)p3.36(77.01%)d0.00(0.09%)	1.199987937	-0.122141451 Hartree
122	BD(1)H31(C28) 31s(99.94%)p0.00(0.06%)	0.788770756	0.048848499 Hartree
123	BD(1)C33(H34) 33s(22.99%)p3.35(76.93%)d0.00(0.08%)	1.200259486	-0.119038960 Hartree
124	BD(1)H34(C33) 34s(99.94%)p0.00(0.06%)	0.790671522	0.050046109 Hartree
125	BD(1)C33(H35) 33s(22.72%)p3.40(77.20%)d0.00(0.09%)	1.199168433	-0.120073809 Hartree
126	BD(1)H35(C33) 35s(99.94%)p0.00(0.06%)	0.788493905	0.049147142 Hartree
127	BD(1)C33(H36) 33s(23.27%)p3.29(76.65%)d0.00(0.08%)	1.198952279	-0.117329456 Hartree
128	BD(1)H36(C33) 36s(99.94%)p0.00(0.06%)	0.794973572	0.050579158 Hartree
129	BD(1)C38(H39) 38s(23.28%)p3.29(76.62%)d0.00(0.10%)	1.211928864	-0.114330633 Hartree
130	BD(1)H39(C38) 39s(99.94%)p0.00(0.06%)	0.775738115	0.066265977 Hartree
131	BD(1)C38(H40) 38s(22.80%)p3.38(77.10%)d0.00(0.10%)	1.199749889	-0.114504115 Hartree
132	BD(1)H40(C38) 40s(99.95%)p0.00(0.05%)	0.787704165	0.055225410 Hartree
133	BD(1)C38(H41) 38s(23.41%)p3.27(76.50%)d0.00(0.09%)	1.197293896	-0.110769210 Hartree
134	BD(1)H41(C38) 41s(99.94%)p0.00(0.06%)	0.797914659	0.055686924 Hartree
135	RY(1)C1 s(0.12%)p99.99(96.74%)d26.61(3.14%)	0.002921332	0.783627523 Hartree
136	RY(2)C1 s(2.19%)p28.51(62.31%)d16.25(35.51%)	0.000909711	0.909449583 Hartree
137	RY(3)C1 s(32.84%)p1.86(60.93%)d0.19(6.23%)	0.000624892	1.064542690 Hartree
138	RY(4)C1 s(22.23%)p1.73(38.41%)d1.77(39.36%)	0.000257689	2.054191085 Hartree
139	RY(5)C1 s(9.83%)p1.96(19.24%)d7.22(70.93%)	0.000156428	1.613241604 Hartree
140	RY(6)C1 s(12.00%)p2.19(26.26%)d5.15(61.74%)	0.000101874	1.735888252 Hartree
141	RY(7)C1 s(16.27%)p1.82(29.60%)d3.33(54.13%)	0.000069947	2.827120272 Hartree
142	RY(8)C1 s(3.26%)p15.15(49.46%)d14.48(47.28%)	0.000042630	1.842034293 Hartree
143	RY(9)C1 s(1.24%)p12.43(15.42%)d67.22(83.34%)	0.000029584	1.659623528 Hartree
144	RY(10)C1 s(8.68%)p6.93(60.11%)d3.60(31.21%)	0.000020368	3.125871101 Hartree
145	RY(11)C1 s(8.07%)p6.51(52.53%)d4.89(39.40%)	0.000012289	1.788216863 Hartree
146	RY(12)C1 s(55.39%)p0.40(22.35%)d0.40(22.25%)	0.000005848	5.172562761 Hartree
147	RY(13)C1 s(47.08%)p0.77(36.18%)d0.36(16.74%)	0.000003747	2.848909397 Hartree
148	RY(14)C1 s(17.55%)p2.29(40.12%)d2.41(42.33%)	0.000003495	1.617404988 Hartree
149	RY(15)C1 s(1.68%)p44.89(75.44%)d13.61(22.88%)	0.000002195	1.738690896 Hartree
150	RY(16)C1 s(1.11%)p35.48(39.48%)d53.40(59.41%)	0.000001312	2.342083136 Hartree
151	RY(17)C1 s(42.63%)p0.86(36.86%)d0.48(20.51%)	0.000001967	8.904772488 Hartree
152	RY(18)C1 s(2.48%)p20.19(50.12%)d19.09(47.40%)	0.000000236	3.893002950 Hartree
153	RY(19)C1 s(0.03%)p99.99(8.28%)d99.99(91.69%)	0.000000016	3.303000024 Hartree
154	RY(20)C1 s(13.45%)p0.88(11.84%)d5.55(74.70%)	0.000000351	5.814283902 Hartree
155	RY(21)C1 s(0.86%)p41.21(35.64%)d73.41(63.49%)	0.000000200	3.227843008 Hartree
156	RY(22)C1 s(1.02%)p32.55(33.11%)d64.74(65.87%)	0.000000052	3.840841966 Hartree
157	RY(1)C2 s(0.05%)p99.99(91.51%)d99.99(8.44%)	0.005031877	1.409890875 Hartree
158	RY(2)C2 s(0.96%)p94.08(90.07%)d9.37(8.97%)	0.002985134	1.244913969 Hartree
159	RY(3)C2 s(1.26%)p68.33(86.01%)d10.12(12.73%)	0.001455993	0.877054010 Hartree
160	RY(4)C2 s(32.17%)p0.56(17.91%)d1.55(49.92%)	0.000665518	2.992659587 Hartree
161	RY(5)C2 s(9.57%)p1.10(10.56%)d8.35(79.87%)	0.000616404	2.053600615 Hartree
162	RY(6)C2 s(3.78%)p9.98(37.76%)d15.46(58.46%)	0.000397010	3.951441611 Hartree
163	RY(7)C2 s(7.46%)p6.73(50.23%)d5.67(42.31%)	0.000253723	3.390499327 Hartree
164	RY(8)C2 s(31.10%)p1.17(36.24%)d1.05(32.65%)	0.000217674	1.914888956 Hartree
165	RY(9)C2 s(8.49%)p2.36(20.04%)d8.42(71.47%)	0.000178743	1.631661800 Hartree
166	RY(10)C2 s(44.46%)p0.52(23.04%)d0.73(32.50%)	0.000116528	6.689370183 Hartree
167	RY(11)C2 s(3.12%)p22.42(69.94%)d8.64(26.94%)	0.000074920	2.645444170 Hartree
168	RY(12)C2 s(17.00%)p0.24(4.06%)d4.64(78.95%)	0.000057822	2.374427266 Hartree
169	RY(13)C2 s(8.53%)p5.91(50.44%)d4.81(41.04%)	0.000029794	3.146803314 Hartree
170	RY(14)C2 s(1.93%)p22.84(43.98%)d28.10(54.09%)	0.000020153	3.129003882 Hartree
171	RY(15)C2 s(17.44%)p0.68(11.79%)d4.06(70.77%)	0.000015143	3.372524166 Hartree
172	RY(16)C2 s(28.73%)p1.44(41.24%)d1.05(30.03%)	0.000011554	3.300444660 Hartree
173	RY(17)C2 s(1.99%)p18.50(36.90%)d30.64(61.11%)	0.000006769	2.479522043 Hartree
174	RY(18)C2 s(2.23%)p29.91(66.75%)d13.90(31.02%)	0.000005532	1.774360177 Hartree
175	RY(19)C2 s(13.34%)p0.25(3.37%)d6.24(83.28%)	0.000002899	3.874735486 Hartree
176	RY(20)C2 s(4.46%)p1.80(8.04%)d19.60(87.49%)	0.000002505	3.194529160 Hartree
177	RY(21)C2 s(36.26%)p1.02(36.82%)d0.74(26.91%)	0.000001210	6.581672300 Hartree
178	RY(22)C2 s(25.80%)p2.46(63.41%)d0.42(10.79%)	0.000000692	5.124590420 Hartree
179	RY(1)C3 s(0.14%)p99.99(94.46%)d38.17(5.40%)	0.007105495	1.436878740 Hartree
180	RY(2)C3 s(0.65%)p99.99(92.88%)d9.95(6.47%)	0.003459740	1.358305435 Hartree
181	RY(3)C3 s(0.49%)p99.99(82.63%)d34.44(16.88%)	0.001778398	1.343312021 Hartree
182	RY(4)C3 s(12.30%)p1.17(14.41%)d5.96(73.29%)	0.000929674	2.689026102 Hartree
183	RY(5)C3 s(47.51%)p0.20(9.42%)d0.91(43.07%)	0.000781888	2.076011339 Hartree
184	RY(6)C3 s(13.95%)p0.55(7.70%)d5.62(78.36%)	0.000664577	1.835998190 Hartree
185	RY(7)C3 s(0.82%)p10.82(8.92%)d99.99(90.25%)	0.000543672	2.007926300 Hartree
186	RY(8)C3 s(0.80%)p98.60(78.83%)d25.49(20.38%)	0.000462913	2.936931149 Hartree
187	RY(9)C3 s(10.89%)p3.84(41.87%)d4.34(47.23%)	0.000415073	2.411078792 Hartree
188	RY(10)C3 s(0.63%)p81.75(51.23%)d76.81(48.14%)	0.000257678	2.252865923 Hartree
189	RY(11)C3 s(9.91%)p0.99(9.85%)d8.09(80.23%)	0.000170483	1.959029468 Hartree
190	RY(12)C3 s(0.50%)p99.99(62.26%)d74.23(37.24%)	0.000073335	3.048851774 Hartree
191	RY(13)C3 s(1.03%)p58.02(59.91%)d37.82(39.05%)	0.000045849	2.135773150 Hartree
192	RY(14)C3 s(0.57%)p36.41(20.87%)d99.99(78.56%)	0.000043898	2.730848165 Hartree
193	RY(15)C3 s(0.03%)p99.99(27.81%)d99.99(72.16%)	0.000029179	3.150472969 Hartree
194	RY(16)C3 s(0.65%)p59.67(38.56%)d94.08(60.80%)	0.000022738	3.224077284 Hartree
195	RY(17)C3 s(0.19%)p99.99(79.05%)d99.99(20.76%)	0.000011255	3.136595999 Hartree
196	RY(18)C3 s(6.02%)p4.28(25.78%)d11.34(68.21%)	0.000008201	3.467186875 Hartree
197	RY(19)C3 s(0.34%)p48.90(16.68%)d99.99(82.98%)	0.000002643	3.534479575 Hartree
198	RY(20)C3 s(31.20%)p1.50(46.78%)d0.71(22.02%)	0.000001095	7.676104406 Hartree
199	RY(21)C3 s(61.62%)p0.49(30.15%)d0.13(8.22%)	0.000000698	13.006806309 Hartree
200	RY(1)C4 s(0.16%)p99.99(89.01%)d69.01(10.83%)	0.004454050	1.426215488 Hartree
201	RY(2)C4 s(4.91%)p17.82(87.44%)d1.56(7.65%)	0.002847621	1.339758416 Hartree
202	RY(3)C4 s(1.83%)p47.21(86.49%)d6.38(11.68%)	0.001441129	0.937717473 Hartree
203	RY(4)C4 s(47.96%)p0.38(18.05%)d0.71(34.00%)	0.000742765	2.971036091 Hartree
204	RY(5)C4 s(4.55%)p2.87(13.03%)d18.13(82.42%)	0.000693673	2.031494578 Hartree
205	RY(6)C4 s(6.32%)p4.82(30.46%)d10.00(63.22%)	0.000416154	4.034559940 Hartree
206	RY(7)C4 s(5.71%)p9.45(53.91%)d7.08(40.39%)	0.000296149	2.692827084 Hartree
207	RY(8)C4 s(20.72%)p1.42(29.50%)d2.40(49.78%)	0.000188831	4.362931634 Hartree
208	RY(9)C4 s(12.76%)p1.24(15.84%)d5.60(71.41%)	0.000155236	3.974167174 Hartree
209	RY(10)C4 s(31.50%)p1.67(52.74%)d0.50(15.76%)	0.000108428	2.897566670 Hartree
210	RY(11)C4 s(3.86%)p7.78(30.06%)d17.10(66.07%)	0.000077922	2.891279683 Hartree
211	RY(12)C4 s(7.35%)p6.94(51.03%)d5.66(41.61%)	0.000052764	2.171445035 Hartree
212	RY(13)C4 s(23.06%)p0.61(14.10%)d2.73(62.85%)	0.000039957	2.845174119 Hartree
213	RY(14)C4 s(2.98%)p18.92(56.32%)d13.68(40.71%)	0.000030266	2.703640356 Hartree
214	RY(15)C4 s(4.39%)p8.15(35.78%)d13.62(59.83%)	0.000015177	1.980227524 Hartree
215	RY(16)C4 s(14.75%)p2.09(30.83%)d3.69(54.42%)	0.000015789	3.770498891 Hartree
216	RY(17)C4 s(11.48%)p4.09(46.94%)d3.62(41.58%)	0.000012451	2.851240999 Hartree
217	RY(18)C4 s(31.58%)p1.25(39.58%)d0.91(28.84%)	0.000009170	3.301308800 Hartree
218	RY(19)C4 s(0.66%)p5.64(3.74%)d99.99(95.60%)	0.000003344	3.005223706 Hartree
219	RY(20)C4 s(34.90%)p0.35(12.32%)d1.51(52.78%)	0.000003579	4.700181209 Hartree
220	RY(21)C4 s(28.24%)p0.36(10.17%)d2.18(61.59%)	0.000001780	4.501399215 Hartree
221	RY(22)C4 s(0.47%)p99.99(92.79%)d14.33(6.74%)	0.000000169	2.939200533 Hartree
222	RY(1)C5 s(0.21%)p99.99(94.06%)d27.05(5.73%)	0.005560589	1.492855272 Hartree
223	RY(2)C5 s(0.35%)p99.99(92.93%)d19.25(6.72%)	0.002335519	0.907433270 Hartree
224	RY(3)C5 s(0.29%)p99.99(83.75%)d55.52(15.96%)	0.001051713	0.519939665 Hartree
225	RY(4)C5 s(3.84%)p0.77(2.97%)d24.24(93.18%)	0.000548991	2.252928140 Hartree
226	RY(5)C5 s(6.06%)p2.84(17.24%)d12.65(76.69%)	0.000462263	2.554654331 Hartree
227	RY(6)C5 s(1.12%)p51.54(57.95%)d36.39(40.92%)	0.000325297	2.895355952 Hartree
228	RY(7)C5 s(70.09%)p0.13(8.77%)d0.30(21.14%)	0.000185435	1.393852073 Hartree
229	RY(8)C5 s(1.81%)p2.32(4.20%)d51.89(93.99%)	0.000146580	1.986724180 Hartree
230	RY(9)C5 s(0.33%)p99.99(43.69%)d99.99(55.98%)	0.000108664	2.543867576 Hartree
231	RY(10)C5 s(0.22%)p85.89(19.15%)d99.99(80.63%)	0.000059721	1.029131075 Hartree
232	RY(11)C5 s(10.71%)p7.15(76.60%)d1.18(12.69%)	0.000036405	1.160940960 Hartree
233	RY(12)C5 s(1.57%)p33.89(53.21%)d28.80(45.22%)	0.000024719	2.157344794 Hartree
234	RY(13)C5 s(2.67%)p32.66(87.31%)d3.75(10.02%)	0.000019247	3.485174448 Hartree
235	RY(14)C5 s(0.84%)p41.85(35.07%)d76.48(64.09%)	0.000010268	1.837120788 Hartree
236	RY(15)C5 s(2.83%)p24.10(68.19%)d10.24(28.98%)	0.000005703	1.833188401 Hartree
237	RY(16)C5 s(0.64%)p62.21(39.79%)d93.14(59.57%)	0.000004180	2.764420284 Hartree
238	RY(17)C5 s(43.60%)p0.08(3.60%)d1.21(52.80%)	0.000001905	9.553969752 Hartree
239	RY(18)C5 s(11.61%)p0.84(9.78%)d6.77(78.61%)	0.000000967	5.847876327 Hartree
240	RY(19)C5 s(1.45%)p57.59(83.28%)d10.56(15.28%)	0.000000214	3.317180501 Hartree
241	RY(20)C5 s(39.40%)p0.23(9.01%)d1.31(51.59%)	0.000000402	9.636578564 Hartree
242	RY(21)C5 s(0.62%)p15.45(9.53%)d99.99(89.85%)	0.000000047	3.459456806 Hartree
243	RY(1)C6 s(1.86%)p47.87(89.13%)d4.84(9.01%)	0.005990297	1.241608407 Hartree
244	RY(2)C6 s(0.11%)p99.99(89.65%)d91.55(10.24%)	0.001933463	1.391651362 Hartree
245	RY(3)C6 s(4.71%)p17.78(83.73%)d2.46(11.56%)	0.001450790	0.933505286 Hartree
246	RY(4)C6 s(0.50%)p3.07(1.54%)d99.99(97.96%)	0.000564085	2.430179868 Hartree
247	RY(5)C6 s(0.88%)p44.99(39.70%)d67.35(59.42%)	0.000409556	3.513520269 Hartree
248	RY(6)C6 s(11.24%)p1.79(20.15%)d6.10(68.61%)	0.000368223	2.968279660 Hartree
249	RY(7)C6 s(10.57%)p2.52(26.61%)d5.94(62.82%)	0.000216511	1.767171857 Hartree
250	RY(8)C6 s(21.46%)p1.65(35.36%)d2.01(43.19%)	0.000167586	2.673184758 Hartree
251	RY(9)C6 s(14.88%)p1.79(26.58%)d3.93(58.54%)	0.000146296	3.229179164 Hartree
252	RY(10)C6 s(1.77%)p39.97(70.89%)d15.41(27.33%)	0.000062324	1.717781084 Hartree
253	RY(11)C6 s(29.03%)p1.26(36.44%)d1.19(34.53%)	0.000045281	2.838965657 Hartree
254	RY(12)C6 s(16.20%)p3.09(50.10%)d2.08(33.70%)	0.000030536	1.531031653 Hartree
255	RY(13)C6 s(23.62%)p1.75(41.30%)d1.49(35.08%)	0.000020504	1.984722015 Hartree
256	RY(14)C6 s(14.06%)p1.91(26.84%)d4.20(59.10%)	0.000009970	4.001925528 Hartree
257	RY(15)C6 s(3.72%)p8.27(30.75%)d17.62(65.53%)	0.000008815	3.058900506 Hartree
258	RY(16)C6 s(26.05%)p1.61(41.94%)d1.23(32.02%)	0.000005579	6.004198670 Hartree
259	RY(17)C6 s(34.70%)p1.45(50.42%)d0.43(14.88%)	0.000004170	2.177717688 Hartree
260	RY(18)C6 s(68.28%)p0.07(4.68%)d0.40(27.04%)	0.000000810	11.151083502 Hartree
261	RY(19)C6 s(12.28%)p0.82(10.08%)d6.32(77.64%)	0.000001655	3.841448117 Hartree
262	RY(20)C6 s(2.73%)p7.31(19.93%)d28.37(77.34%)	0.000001143	2.541088448 Hartree
263	RY(21)C6 s(1.04%)p16.33(17.04%)d78.51(81.92%)	0.000000441	2.312057715 Hartree
264	RY(22)C6 s(0.43%)p99.99(87.27%)d28.82(12.30%)	0.000000067	2.867573806 Hartree
265	RY(1)C7 s(0.27%)p99.99(93.56%)d23.30(6.18%)	0.005518073	1.442011270 Hartree
266	RY(2)C7 s(0.59%)p99.99(93.11%)d10.62(6.29%)	0.001989819	1.002392498 Hartree
267	RY(3)C7 s(0.02%)p99.99(82.43%)d99.99(17.55%)	0.000984878	0.552679316 Hartree
268	RY(4)C7 s(2.58%)p1.87(4.83%)d35.86(92.59%)	0.000534550	2.159270673 Hartree
269	RY(5)C7 s(3.00%)p5.03(15.09%)d27.31(81.91%)	0.000434650	2.583794200 Hartree
270	RY(6)C7 s(1.16%)p49.03(56.69%)d36.46(42.15%)	0.000306497	2.821292064 Hartree
271	RY(7)C7 s(64.08%)p0.26(16.41%)d0.30(19.51%)	0.000171871	1.657400896 Hartree
272	RY(8)C7 s(0.74%)p22.58(16.62%)d99.99(82.64%)	0.000142066	2.234071018 Hartree
273	RY(9)C7 s(0.39%)p95.12(37.18%)d99.99(62.43%)	0.000080665	2.474965948 Hartree
274	RY(10)C7 s(0.61%)p30.59(18.69%)d99.99(80.70%)	0.000059262	1.082478303 Hartree
275	RY(11)C7 s(13.29%)p4.24(56.39%)d2.28(30.32%)	0.000038273	1.397920232 Hartree
276	RY(12)C7 s(1.81%)p33.10(60.03%)d21.03(38.15%)	0.000025902	2.110422745 Hartree
277	RY(13)C7 s(6.42%)p11.71(75.22%)d2.86(18.36%)	0.000014309	3.352239887 Hartree
278	RY(14)C7 s(3.10%)p20.09(62.22%)d11.20(34.68%)	0.000011198	1.446497830 Hartree
279	RY(15)C7 s(2.29%)p20.34(46.51%)d22.40(51.21%)	0.000004936	2.075683472 Hartree
280	RY(16)C7 s(13.62%)p2.54(34.64%)d3.80(51.73%)	0.000003619	4.178233943 Hartree
281	RY(17)C7 s(3.94%)p22.00(86.61%)d2.40(9.45%)	0.000000144	3.572499231 Hartree
282	RY(18)C7 s(5.09%)p1.64(8.33%)d17.01(86.59%)	0.000001063	4.615053672 Hartree
283	RY(19)C7 s(15.44%)p0.71(10.96%)d4.77(73.60%)	0.000000607	5.823760314 Hartree
284	RY(20)C7 s(59.84%)p0.27(15.99%)d0.40(24.17%)	0.000001333	12.262310242 Hartree
285	RY(21)C7 s(1.99%)p4.32(8.58%)d44.98(89.43%)	0.000000075	3.598350917 Hartree
286	RY(1)H8 s(97.53%)p0.03(2.47%)	0.001194922	1.114981728 Hartree
287	RY(2)H8 s(67.24%)p0.49(32.76%)	0.000279326	2.691606796 Hartree
288	RY(3)H8 s(0.78%)p99.99(99.22%)	0.000167902	1.837244213 Hartree
289	RY(4)H8 s(1.18%)p83.65(98.82%)	0.000039517	2.238051392 Hartree
290	RY(5)H8 s(33.33%)p2.00(66.67%)	0.000030497	2.263683617 Hartree
291	RY(1)C9 s(0.00%)p1.00(96.80%)d0.03(3.20%)	0.003184012	0.663614831 Hartree
292	RY(2)C9 s(0.05%)p99.99(51.37%)d99.99(48.58%)	0.000944490	0.961114227 Hartree
293	RY(3)C9 s(3.12%)p18.08(56.50%)d12.93(40.38%)	0.000408029	1.517463544 Hartree
294	RY(4)C9 s(2.39%)p6.79(16.26%)d33.97(81.35%)	0.000147537	1.622203857 Hartree
295	RY(5)C9 s(5.29%)p7.85(41.53%)d10.05(53.17%)	0.000136564	2.039660461 Hartree
296	RY(6)C9 s(35.78%)p1.15(41.11%)d0.65(23.11%)	0.000050445	2.839552508 Hartree
297	RY(7)C9 s(26.54%)p1.48(39.36%)d1.28(34.10%)	0.000042808	1.211990738 Hartree
298	RY(8)C9 s(0.35%)p12.11(4.24%)d99.99(95.41%)	0.000039012	1.345914868 Hartree
299	RY(9)C9 s(22.54%)p1.46(33.00%)d1.97(44.46%)	0.000019170	1.599970405 Hartree
300	RY(10)C9 s(4.07%)p17.91(72.88%)d5.66(23.05%)	0.000010554	1.741517761 Hartree
301	RY(11)C9 s(37.24%)p0.90(33.37%)d0.79(29.39%)	0.000004932	1.764726628 Hartree
302	RY(12)C9 s(23.55%)p2.62(61.73%)d0.63(14.72%)	0.000001028	1.331360667 Hartree
303	RY(13)C9 s(41.26%)p0.73(30.13%)d0.69(28.61%)	0.000001929	2.312096795 Hartree
304	RY(14)C9 s(0.08%)p99.99(8.62%)d99.99(91.30%)	0.000000011	3.213678136 Hartree
305	RY(15)C9 s(41.45%)p0.55(22.81%)d0.86(35.74%)	0.000000547	8.929502867 Hartree
306	RY(16)C9 s(8.69%)p6.46(56.14%)d4.05(35.17%)	0.000001442	4.033006150 Hartree
307	RY(17)C9 s(0.04%)p99.99(76.35%)d99.99(23.61%)	0.000000037	3.412565468 Hartree
308	RY(18)C9 s(30.64%)p0.46(14.15%)d1.80(55.20%)	0.000000148	8.531830874 Hartree
309	RY(19)C9 s(6.23%)p9.65(60.11%)d5.40(33.66%)	0.000000319	4.278103119 Hartree
310	RY(20)C9 s(1.72%)p8.20(14.13%)d48.87(84.15%)	0.000000018	3.404170492 Hartree
311	RY(21)C9 s(8.92%)p7.28(64.91%)d2.94(26.17%)	0.000000381	2.824039281 Hartree
312	RY(22)C9 s(0.06%)p79.17(4.83%)d99.99(95.11%)	0.000000002	3.424181422 Hartree
313	RY(1)H10 s(97.33%)p0.03(2.67%)	0.000674930	0.552025011 Hartree
314	RY(2)H10 s(54.79%)p0.83(45.21%)	0.000074085	2.092037913 Hartree
315	RY(3)H10 s(7.12%)p13.04(92.88%)	0.000048208	1.944009474 Hartree
316	RY(4)H10 s(14.22%)p6.03(85.78%)	0.000035265	2.531778865 Hartree
317	RY(5)H10 s(26.60%)p2.76(73.40%)	0.000022251	2.081241464 Hartree
318	RY(1)H11 s(97.88%)p0.02(2.12%)	0.000709962	0.523296700 Hartree
319	RY(2)H11 s(42.23%)p1.37(57.77%)	0.000090911	2.000977590 Hartree
320	RY(3)H11 s(6.76%)p13.80(93.24%)	0.000053626	1.949833728 Hartree
321	RY(4)H11 s(17.43%)p4.74(82.57%)	0.000040309	2.709458543 Hartree
322	RY(5)H11 s(35.76%)p1.80(64.24%)	0.000023117	2.089517945 Hartree
323	RY(1)H12 s(97.16%)p0.03(2.84%)	0.000815833	0.552216733 Hartree
324	RY(2)H12 s(42.21%)p1.37(57.79%)	0.000106463	1.997256271 Hartree
325	RY(3)H12 s(0.05%)p99.99(99.95%)	0.000051667	2.211711615 Hartree
326	RY(4)H12 s(0.59%)p99.99(99.41%)	0.000046702	2.276694098 Hartree
327	RY(5)H12 s(60.05%)p0.67(39.95%)	0.000007404	2.262406850 Hartree
328	RY(1)H13 s(98.07%)p0.02(1.93%)	0.001355222	1.061129690 Hartree
329	RY(2)H13 s(70.50%)p0.42(29.50%)	0.000280284	2.696684601 Hartree
330	RY(3)H13 s(0.29%)p99.99(99.71%)	0.000176086	1.824559522 Hartree
331	RY(4)H13 s(0.25%)p99.99(99.75%)	0.000035300	2.265788288 Hartree
332	RY(5)H13 s(30.96%)p2.23(69.04%)	0.000026847	2.284537581 Hartree
333	RY(1)C14 s(1.91%)p49.63(94.97%)d1.63(3.12%)	0.002744610	0.780662255 Hartree
334	RY(2)C14 s(4.57%)p13.17(60.15%)d7.72(35.28%)	0.001054844	0.970024558 Hartree
335	RY(3)C14 s(26.35%)p2.55(67.24%)d0.24(6.41%)	0.000583235	1.133819563 Hartree
336	RY(4)C14 s(11.90%)p3.30(39.27%)d4.10(48.83%)	0.000273784	2.177115121 Hartree
337	RY(5)C14 s(4.33%)p3.12(13.51%)d18.97(82.16%)	0.000163068	1.413459241 Hartree
338	RY(6)C14 s(19.07%)p1.60(30.57%)d2.64(50.36%)	0.000092031	2.840971183 Hartree
339	RY(7)C14 s(32.69%)p0.80(26.25%)d1.26(41.06%)	0.000073368	4.669218437 Hartree
340	RY(8)C14 s(1.44%)p31.23(45.07%)d37.07(53.49%)	0.000056694	1.221029811 Hartree
341	RY(9)C14 s(1.42%)p33.05(46.92%)d36.39(51.66%)	0.000040734	1.275562824 Hartree
342	RY(10)C14 s(24.42%)p1.39(33.93%)d1.71(41.65%)	0.000027590	2.831785792 Hartree
343	RY(11)C14 s(3.54%)p13.46(47.71%)d13.76(48.75%)	0.000013649	1.760156552 Hartree
344	RY(12)C14 s(25.20%)p2.16(54.41%)d0.81(20.40%)	0.000009034	2.531661860 Hartree
345	RY(13)C14 s(22.06%)p2.16(47.69%)d1.37(30.26%)	0.000007036	3.155298085 Hartree
346	RY(14)C14 s(5.66%)p8.71(49.32%)d7.95(45.02%)	0.000004489	2.410475561 Hartree
347	RY(15)C14 s(13.68%)p2.40(32.83%)d3.91(53.48%)	0.000002750	5.654821331 Hartree
348	RY(16)C14 s(35.50%)p1.03(36.45%)d0.79(28.06%)	0.000002329	3.442509667 Hartree
349	RY(17)C14 s(11.55%)p5.62(64.95%)d2.04(23.50%)	0.000000767	3.710295962 Hartree
350	RY(18)C14 s(34.01%)p1.38(47.09%)d0.56(18.89%)	0.000001672	4.405086208 Hartree
351	RY(19)C14 s(1.42%)p19.83(28.13%)d49.67(70.45%)	0.000000580	3.475123893 Hartree
352	RY(20)C14 s(0.20%)p66.32(13.57%)d99.99(86.22%)	0.000000041	3.322583277 Hartree
353	RY(21)C14 s(16.90%)p0.93(15.69%)d3.99(67.41%)	0.000000332	4.513465835 Hartree
354	RY(22)C14 s(2.19%)p2.14(4.69%)d42.51(93.12%)	0.000000210	3.864278910 Hartree
355	RY(1)H15 s(98.28%)p0.02(1.72%)	0.000881700	0.551639154 Hartree
356	RY(2)H15 s(70.51%)p0.42(29.49%)	0.000090604	2.187424693 Hartree
357	RY(3)H15 s(1.23%)p80.29(98.77%)	0.000070382	2.005423125 Hartree
358	RY(4)H15 s(15.62%)p5.40(84.38%)	0.000035732	2.047700553 Hartree
359	RY(5)H15 s(14.42%)p5.93(85.58%)	0.000029327	2.666195463 Hartree
360	RY(1)H16 s(98.87%)p0.01(1.13%)	0.000967340	0.595266565 Hartree
361	RY(2)H16 s(75.34%)p0.33(24.66%)	0.000088477	2.211751236 Hartree
362	RY(3)H16 s(6.87%)p13.56(93.13%)	0.000067088	2.047430838 Hartree
363	RY(4)H16 s(15.23%)p5.56(84.77%)	0.000040591	2.225612225 Hartree
364	RY(5)H16 s(3.75%)p25.69(96.25%)	0.000026024	2.413386402 Hartree
365	RY(1)H17 s(97.63%)p0.02(2.37%)	0.000856494	0.631102860 Hartree
366	RY(2)H17 s(67.90%)p0.47(32.10%)	0.000089257	2.274567515 Hartree
367	RY(3)H17 s(2.22%)p43.96(97.78%)	0.000053464	1.922757183 Hartree
368	RY(4)H17 s(13.35%)p6.49(86.65%)	0.000039219	2.265471481 Hartree
369	RY(5)H17 s(18.95%)p4.28(81.05%)	0.000020490	2.254304262 Hartree
370	RY(1)N18 s(14.11%)p5.83(82.28%)d0.26(3.61%)	0.007148776	0.908259724 Hartree
371	RY(2)N18 s(0.16%)p99.99(96.75%)d19.95(3.09%)	0.002811779	0.950452519 Hartree
372	RY(3)N18 s(9.73%)p6.83(66.46%)d2.45(23.80%)	0.000976140	1.570247135 Hartree
373	RY(4)N18 s(5.95%)p11.00(65.38%)d4.82(28.67%)	0.000517295	1.412254558 Hartree
374	RY(5)N18 s(10.28%)p8.03(82.55%)d0.70(7.18%)	0.000367718	1.594386007 Hartree
375	RY(6)N18 s(38.91%)p0.82(32.09%)d0.75(28.99%)	0.000240280	2.761214831 Hartree
376	RY(7)N18 s(1.42%)p20.00(28.35%)d49.56(70.24%)	0.000166191	2.403037499 Hartree
377	RY(8)N18 s(13.96%)p1.96(27.32%)d4.21(58.72%)	0.000149477	1.863416741 Hartree
378	RY(9)N18 s(1.83%)p15.18(27.71%)d38.60(70.46%)	0.000087898	2.761203002 Hartree
379	RY(10)N18 s(3.63%)p14.97(54.37%)d11.56(42.00%)	0.000078347	1.363521060 Hartree
380	RY(11)N18 s(2.17%)p29.20(63.46%)d15.81(34.37%)	0.000036254	3.830411846 Hartree
381	RY(12)N18 s(9.69%)p1.28(12.45%)d8.03(77.85%)	0.000034010	2.114828272 Hartree
382	RY(13)N18 s(17.03%)p0.71(12.15%)d4.16(70.82%)	0.000023074	1.717623826 Hartree
383	RY(14)N18 s(21.38%)p1.58(33.73%)d2.10(44.90%)	0.000011657	3.628809306 Hartree
384	RY(15)N18 s(12.12%)p2.26(27.41%)d4.99(60.47%)	0.000009503	3.416154174 Hartree
385	RY(16)N18 s(28.90%)p1.01(29.19%)d1.45(41.91%)	0.000009883	3.023491479 Hartree
386	RY(17)N18 s(1.69%)p13.06(22.04%)d45.19(76.27%)	0.000004753	4.830433659 Hartree
387	RY(18)N18 s(8.58%)p6.20(53.19%)d4.46(38.24%)	0.000001776	5.119187732 Hartree
388	RY(19)N18 s(47.25%)p0.11(4.98%)d1.01(47.77%)	0.000000302	16.887634176 Hartree
389	RY(20)N18 s(41.58%)p0.13(5.26%)d1.28(53.16%)	0.000000403	15.750804159 Hartree
390	RY(21)N18 s(2.61%)p26.03(67.94%)d11.28(29.45%)	0.000000670	4.173137565 Hartree
391	RY(22)N18 s(7.03%)p0.85(5.95%)d12.38(87.02%)	0.000000217	6.946148912 Hartree
392	RY(1)C19 s(11.21%)p7.45(83.49%)d0.47(5.30%)	0.006381494	1.386817716 Hartree
393	RY(2)C19 s(39.67%)p1.10(43.76%)d0.42(16.57%)	0.004821644	1.620790583 Hartree
394	RY(3)C19 s(26.85%)p2.57(69.08%)d0.15(4.06%)	0.001856184	1.404647176 Hartree
395	RY(4)C19 s(3.54%)p24.17(85.48%)d3.11(10.99%)	0.001098079	0.960056697 Hartree
396	RY(5)C19 s(16.16%)p1.08(17.38%)d4.11(66.46%)	0.000737553	2.568659705 Hartree
397	RY(6)C19 s(16.30%)p1.73(28.15%)d3.41(55.55%)	0.000589242	2.673093652 Hartree
398	RY(7)C19 s(28.07%)p1.12(31.45%)d1.44(40.48%)	0.000305840	5.493813649 Hartree
399	RY(8)C19 s(7.96%)p7.38(58.74%)d4.18(33.29%)	0.000141000	3.082174031 Hartree
400	RY(9)C19 s(1.05%)p49.00(51.63%)d44.91(47.32%)	0.000127227	2.209102633 Hartree
401	RY(10)C19 s(2.44%)p14.25(34.79%)d25.71(62.77%)	0.000071003	2.378779713 Hartree
402	RY(11)C19 s(0.66%)p83.70(55.09%)d67.22(44.25%)	0.000063549	1.934375612 Hartree
403	RY(12)C19 s(6.98%)p8.83(61.58%)d4.51(31.45%)	0.000034310	4.062148691 Hartree
404	RY(13)C19 s(1.82%)p15.42(28.14%)d38.38(70.04%)	0.000028740	2.453895227 Hartree
405	RY(14)C19 s(15.27%)p1.38(21.01%)d4.17(63.72%)	0.000016261	3.691371128 Hartree
406	RY(15)C19 s(14.16%)p1.52(21.55%)d4.54(64.29%)	0.000012055	2.878652954 Hartree
407	RY(16)C19 s(5.76%)p10.12(58.28%)d6.24(35.96%)	0.000010086	3.426749689 Hartree
408	RY(17)C19 s(25.85%)p1.45(37.42%)d1.42(36.73%)	0.000005703	2.943758466 Hartree
409	RY(18)C19 s(20.39%)p2.70(55.14%)d1.20(24.47%)	0.000003754	3.158296112 Hartree
410	RY(19)C19 s(30.11%)p0.79(23.90%)d1.53(45.99%)	0.000004368	3.145342037 Hartree
411	RY(20)C19 s(24.86%)p0.64(15.98%)d2.38(59.16%)	0.000003239	5.068167667 Hartree
412	RY(21)C19 s(0.53%)p7.62(4.08%)d99.99(95.39%)	0.000001014	3.311608983 Hartree
413	RY(22)C19 s(0.15%)p93.90(14.46%)d99.99(85.38%)	0.000001636	3.377190719 Hartree
414	RY(1)C20 s(11.16%)p7.48(83.54%)d0.47(5.29%)	0.006382477	1.385229515 Hartree
415	RY(2)C20 s(39.70%)p1.10(43.73%)d0.42(16.57%)	0.004820951	1.620733058 Hartree
416	RY(3)C20 s(26.84%)p2.57(69.10%)d0.15(4.06%)	0.001858662	1.406887709 Hartree
417	RY(4)C20 s(3.55%)p24.07(85.51%)d3.08(10.94%)	0.001098929	0.958735726 Hartree
418	RY(5)C20 s(16.22%)p1.07(17.43%)d4.09(66.35%)	0.000737699	2.571496472 Hartree
419	RY(6)C20 s(16.23%)p1.73(28.02%)d3.44(55.75%)	0.000589397	2.669241005 Hartree
420	RY(7)C20 s(27.97%)p1.13(31.48%)d1.45(40.54%)	0.000305414	5.485828606 Hartree
421	RY(8)C20 s(7.82%)p7.38(57.71%)d4.41(34.47%)	0.000140895	3.046661243 Hartree
422	RY(9)C20 s(1.18%)p44.50(52.70%)d38.93(46.11%)	0.000126740	2.243679883 Hartree
423	RY(10)C20 s(2.45%)p14.23(34.85%)d25.60(62.70%)	0.000071041	2.389024240 Hartree
424	RY(11)C20 s(0.59%)p94.57(55.38%)d75.19(44.03%)	0.000063686	1.918512734 Hartree
425	RY(12)C20 s(6.93%)p8.81(61.08%)d4.61(31.99%)	0.000034456	4.056252508 Hartree
426	RY(13)C20 s(1.87%)p15.28(28.53%)d37.28(69.61%)	0.000028653	2.506313306 Hartree
427	RY(14)C20 s(15.23%)p1.38(21.05%)d4.18(63.72%)	0.000016309	3.672263686 Hartree
428	RY(15)C20 s(14.47%)p1.52(22.02%)d4.39(63.51%)	0.000012101	2.854951050 Hartree
429	RY(16)C20 s(5.76%)p9.99(57.54%)d6.37(36.70%)	0.000010059	3.419694339 Hartree
430	RY(17)C20 s(27.17%)p1.33(36.09%)d1.35(36.74%)	0.000005756	2.960335909 Hartree
431	RY(18)C20 s(17.90%)p3.18(56.99%)d1.40(25.11%)	0.000003784	3.143804383 Hartree
432	RY(19)C20 s(30.77%)p0.76(23.35%)d1.49(45.88%)	0.000004365	3.123851799 Hartree
433	RY(20)C20 s(25.33%)p0.63(15.84%)d2.32(58.83%)	0.000003263	5.113618136 Hartree
434	RY(21)C20 s(0.14%)p99.99(14.55%)d99.99(85.31%)	0.000001637	3.372258663 Hartree
435	RY(22)C20 s(0.51%)p8.01(4.09%)d99.99(95.40%)	0.000001018	3.311383324 Hartree
436	RY(1)N21 s(14.06%)p5.86(82.34%)d0.26(3.61%)	0.007147485	0.907796657 Hartree
437	RY(2)N21 s(0.16%)p99.99(96.75%)d19.72(3.10%)	0.002811526	0.952365230 Hartree
438	RY(3)N21 s(9.54%)p6.97(66.54%)d2.51(23.92%)	0.000971339	1.567501308 Hartree
439	RY(4)N21 s(5.89%)p11.11(65.43%)d4.87(28.67%)	0.000517349	1.410542939 Hartree
440	RY(5)N21 s(10.38%)p7.95(82.49%)d0.69(7.13%)	0.000368211	1.597009928 Hartree
441	RY(6)N21 s(39.10%)p0.82(32.00%)d0.74(28.91%)	0.000239932	2.762456369 Hartree
442	RY(7)N21 s(1.57%)p18.18(28.50%)d44.61(69.93%)	0.000167198	2.404614976 Hartree
443	RY(8)N21 s(13.83%)p1.98(27.33%)d4.25(58.84%)	0.000150233	1.854933303 Hartree
444	RY(9)N21 s(1.83%)p15.62(28.51%)d38.17(69.66%)	0.000088032	2.740550271 Hartree
445	RY(10)N21 s(3.57%)p14.98(53.45%)d12.05(42.98%)	0.000078565	1.382396754 Hartree
446	RY(11)N21 s(1.67%)p37.59(62.74%)d21.33(35.59%)	0.000036341	3.751918592 Hartree
447	RY(12)N21 s(10.35%)p1.26(13.02%)d7.40(76.63%)	0.000034077	2.183487934 Hartree
448	RY(13)N21 s(16.88%)p0.72(12.13%)d4.20(70.99%)	0.000022994	1.725923038 Hartree
449	RY(14)N21 s(20.91%)p1.62(33.93%)d2.16(45.16%)	0.000011656	3.638982584 Hartree
450	RY(15)N21 s(32.29%)p0.96(31.09%)d1.13(36.62%)	0.000009984	2.964113086 Hartree
451	RY(16)N21 s(9.25%)p2.81(25.96%)d7.01(64.79%)	0.000009469	3.481393516 Hartree
452	RY(17)N21 s(1.75%)p12.28(21.54%)d43.74(76.71%)	0.000004763	4.852597576 Hartree
453	RY(18)N21 s(8.58%)p6.16(52.90%)d4.49(38.52%)	0.000001779	5.116778575 Hartree
454	RY(19)N21 s(39.92%)p0.13(5.25%)d1.37(54.83%)	0.000000399	15.324374772 Hartree
455	RY(20)N21 s(49.82%)p0.09(4.68%)d0.91(45.50%)	0.000000297	17.559132023 Hartree
456	RY(21)N21 s(2.57%)p26.52(68.16%)d11.39(29.27%)	0.000000667	4.174731122 Hartree
457	RY(22)N21 s(6.08%)p1.04(6.30%)d14.41(87.62%)	0.000000218	6.677200326 Hartree
458	RY(1)C22 s(0.15%)p99.99(94.45%)d36.66(5.40%)	0.007109669	1.435674731 Hartree
459	RY(2)C22 s(0.62%)p99.99(92.94%)d10.32(6.44%)	0.003461009	1.360890489 Hartree
460	RY(3)C22 s(0.45%)p99.99(82.60%)d37.74(16.95%)	0.001777057	1.340735414 Hartree
461	RY(4)C22 s(12.49%)p1.15(14.36%)d5.86(73.15%)	0.000930392	2.688645330 Hartree
462	RY(5)C22 s(47.25%)p0.20(9.38%)d0.92(43.36%)	0.000782191	2.073261820 Hartree
463	RY(6)C22 s(14.02%)p0.56(7.81%)d5.58(78.17%)	0.000661515	1.834302930 Hartree
464	RY(7)C22 s(0.69%)p12.19(8.42%)d99.99(90.89%)	0.000544689	2.014576957 Hartree
465	RY(8)C22 s(0.87%)p90.59(79.15%)d22.87(19.98%)	0.000462825	2.935297878 Hartree
466	RY(9)C22 s(10.99%)p3.84(42.19%)d4.26(46.82%)	0.000415452	2.400248497 Hartree
467	RY(10)C22 s(0.61%)p83.30(50.88%)d79.41(48.51%)	0.000258098	2.243879602 Hartree
468	RY(11)C22 s(9.97%)p0.99(9.89%)d8.04(80.14%)	0.000170869	1.964193981 Hartree
469	RY(12)C22 s(0.47%)p99.99(62.58%)d78.03(36.95%)	0.000073545	3.053189839 Hartree
470	RY(13)C22 s(1.14%)p56.26(64.17%)d30.41(34.69%)	0.000045552	2.082993035 Hartree
471	RY(14)C22 s(0.42%)p44.57(18.66%)d99.99(80.92%)	0.000043851	2.749796334 Hartree
472	RY(15)C22 s(0.03%)p99.99(26.82%)d99.99(73.14%)	0.000029899	3.134611528 Hartree
473	RY(16)C22 s(0.67%)p56.89(38.12%)d91.36(61.21%)	0.000022894	3.269017190 Hartree
474	RY(17)C22 s(0.15%)p99.99(78.77%)d99.99(21.08%)	0.000011327	3.130961569 Hartree
475	RY(18)C22 s(5.86%)p4.31(25.26%)d11.75(68.88%)	0.000008173	3.427393806 Hartree
476	RY(19)C22 s(0.36%)p45.58(16.55%)d99.99(83.08%)	0.000002647	3.543425491 Hartree
477	RY(20)C22 s(57.61%)p0.58(33.60%)d0.15(8.78%)	0.000000674	12.386063012 Hartree
478	RY(21)C22 s(35.41%)p1.23(43.45%)d0.60(21.15%)	0.000001088	8.325762685 Hartree
479	RY(1)C23 s(0.04%)p99.99(91.50%)d99.99(8.45%)	0.005027402	1.407117744 Hartree
480	RY(2)C23 s(0.94%)p95.79(90.02%)d9.62(9.04%)	0.002973053	1.248050616 Hartree
481	RY(3)C23 s(1.22%)p69.88(85.60%)d10.76(13.18%)	0.001456800	0.881040547 Hartree
482	RY(4)C23 s(33.47%)p0.54(18.09%)d1.45(48.43%)	0.000663228	2.966974387 Hartree
483	RY(5)C23 s(7.82%)p1.36(10.67%)d10.42(81.51%)	0.000615378	2.060303779 Hartree
484	RY(6)C23 s(3.75%)p10.03(37.67%)d15.60(58.57%)	0.000398128	3.965619875 Hartree
485	RY(7)C23 s(8.36%)p5.96(49.86%)d5.00(41.78%)	0.000252409	3.428083717 Hartree
486	RY(8)C23 s(30.28%)p1.20(36.19%)d1.11(33.53%)	0.000217942	1.937915641 Hartree
487	RY(9)C23 s(8.16%)p2.51(20.46%)d8.75(71.38%)	0.000177162	1.553546519 Hartree
488	RY(10)C23 s(44.52%)p0.51(22.89%)d0.73(32.60%)	0.000115229	6.705224470 Hartree
489	RY(11)C23 s(3.06%)p22.71(69.60%)d8.92(27.34%)	0.000075014	2.633413220 Hartree
490	RY(12)C23 s(16.65%)p0.27(4.56%)d4.73(78.80%)	0.000057530	2.373908821 Hartree
491	RY(13)C23 s(9.39%)p5.32(49.96%)d4.33(40.65%)	0.000030308	3.217484414 Hartree
492	RY(14)C23 s(2.20%)p21.58(47.42%)d22.93(50.38%)	0.000019602	3.054084855 Hartree
493	RY(15)C23 s(16.09%)p0.56(9.01%)d4.65(74.90%)	0.000015419	3.411045491 Hartree
494	RY(16)C23 s(29.23%)p1.39(40.51%)d1.03(30.25%)	0.000011689	3.197229445 Hartree
495	RY(17)C23 s(2.79%)p15.54(43.44%)d19.24(53.77%)	0.000007359	2.314667381 Hartree
496	RY(18)C23 s(0.71%)p88.51(63.18%)d50.58(36.10%)	0.000004922	1.821592589 Hartree
497	RY(19)C23 s(17.15%)p0.10(1.74%)d4.73(81.11%)	0.000003168	4.276146789 Hartree
498	RY(20)C23 s(3.17%)p2.13(6.77%)d28.37(90.05%)	0.000002414	3.184448051 Hartree
499	RY(21)C23 s(38.80%)p0.86(33.35%)d0.72(27.85%)	0.000001207	6.683395921 Hartree
500	RY(22)C23 s(22.31%)p3.03(67.63%)d0.45(10.06%)	0.000000696	4.775572923 Hartree
501	RY(1)C24 s(0.28%)p99.99(93.58%)d21.57(6.13%)	0.005562757	1.438161487 Hartree
502	RY(2)C24 s(0.65%)p99.99(93.13%)d9.52(6.22%)	0.002010926	1.011478068 Hartree
503	RY(3)C24 s(0.01%)p1.00(81.59%)d0.23(18.40%)	0.000990988	0.558350672 Hartree
504	RY(4)C24 s(2.26%)p2.23(5.03%)d41.04(92.71%)	0.000526770	2.139708857 Hartree
505	RY(5)C24 s(2.65%)p5.53(14.66%)d31.20(82.69%)	0.000426358	2.616505808 Hartree
506	RY(6)C24 s(1.59%)p35.03(55.83%)d26.72(42.58%)	0.000311173	2.807981498 Hartree
507	RY(7)C24 s(65.22%)p0.27(17.56%)d0.26(17.23%)	0.000175789	1.723576244 Hartree
508	RY(8)C24 s(0.54%)p31.65(17.20%)d99.99(82.26%)	0.000143616	2.231334183 Hartree
509	RY(9)C24 s(0.61%)p66.24(40.43%)d96.58(58.96%)	0.000074853	2.481059535 Hartree
510	RY(10)C24 s(0.39%)p47.12(18.33%)d99.99(81.29%)	0.000055415	1.079532553 Hartree
511	RY(11)C24 s(11.19%)p4.48(50.13%)d3.46(38.68%)	0.000039439	1.532301866 Hartree
512	RY(12)C24 s(3.04%)p17.83(54.16%)d14.09(42.80%)	0.000028121	2.003310231 Hartree
513	RY(13)C24 s(6.56%)p11.62(76.23%)d2.62(17.21%)	0.000014026	3.389543925 Hartree
514	RY(14)C24 s(3.01%)p21.65(65.06%)d10.63(31.93%)	0.000011198	1.403339207 Hartree
515	RY(15)C24 s(3.34%)p13.95(46.60%)d14.99(50.06%)	0.000005156	2.337235736 Hartree
516	RY(16)C24 s(14.95%)p2.38(35.64%)d3.30(49.41%)	0.000003339	4.289097262 Hartree
517	RY(17)C24 s(65.49%)p0.22(14.50%)d0.31(20.01%)	0.000001189	13.258531140 Hartree
518	RY(18)C24 s(1.73%)p5.77(10.01%)d50.88(88.26%)	0.000001044	3.915010955 Hartree
519	RY(19)C24 s(11.43%)p1.16(13.30%)d6.59(75.28%)	0.000000657	5.206841858 Hartree
520	RY(20)C24 s(4.08%)p23.30(95.00%)d0.23(0.92%)	0.000000120	3.516126790 Hartree
521	RY(21)C24 s(1.24%)p1.72(2.13%)d77.90(96.63%)	0.000000095	3.522140924 Hartree
522	RY(1)C25 s(1.89%)p47.11(89.09%)d4.77(9.02%)	0.006000378	1.240550298 Hartree
523	RY(2)C25 s(0.45%)p99.99(89.06%)d23.42(10.49%)	0.001939648	1.404041851 Hartree
524	RY(3)C25 s(2.46%)p35.02(86.08%)d4.66(11.46%)	0.001411209	0.915807736 Hartree
525	RY(4)C25 s(0.69%)p2.07(1.43%)d99.99(97.89%)	0.000565594	2.415095421 Hartree
526	RY(5)C25 s(2.24%)p19.28(43.16%)d24.39(54.60%)	0.000429428	3.402177589 Hartree
527	RY(6)C25 s(13.60%)p1.28(17.34%)d5.08(69.06%)	0.000368510	2.890504172 Hartree
528	RY(7)C25 s(8.35%)p2.86(23.88%)d8.12(67.77%)	0.000205115	1.928576667 Hartree
529	RY(8)C25 s(22.63%)p1.70(38.51%)d1.72(38.85%)	0.000169700	2.589206464 Hartree
530	RY(9)C25 s(15.16%)p1.25(18.93%)d4.35(65.91%)	0.000150751	3.222143548 Hartree
531	RY(10)C25 s(5.18%)p12.39(64.11%)d5.94(30.72%)	0.000067455	2.148706444 Hartree
532	RY(11)C25 s(28.31%)p1.60(45.23%)d0.93(26.46%)	0.000043285	2.651203638 Hartree
533	RY(12)C25 s(21.07%)p2.51(52.92%)d1.23(26.02%)	0.000033038	1.439127158 Hartree
534	RY(13)C25 s(18.33%)p2.40(43.98%)d2.06(37.70%)	0.000019626	2.096298880 Hartree
535	RY(14)C25 s(12.34%)p2.30(28.41%)d4.80(59.24%)	0.000010257	3.835321076 Hartree
536	RY(15)C25 s(6.00%)p5.56(33.36%)d10.10(60.64%)	0.000008871	3.053977524 Hartree
537	RY(16)C25 s(27.33%)p1.48(40.48%)d1.18(32.19%)	0.000005640	6.062814755 Hartree
538	RY(17)C25 s(28.07%)p1.76(49.37%)d0.80(22.56%)	0.000004421	2.004153446 Hartree
539	RY(18)C25 s(69.94%)p0.07(4.56%)d0.36(25.50%)	0.000000830	11.330436743 Hartree
540	RY(19)C25 s(2.23%)p7.69(17.13%)d36.18(80.64%)	0.000001191	2.605426315 Hartree
541	RY(20)C25 s(12.88%)p0.93(11.94%)d5.84(75.18%)	0.000001711	3.875508645 Hartree
542	RY(21)C25 s(0.38%)p99.99(82.47%)d45.60(17.15%)	0.000000060	2.800876634 Hartree
543	RY(22)C25 s(0.61%)p30.77(18.68%)d99.99(80.71%)	0.000000242	2.330673205 Hartree
544	RY(1)C26 s(0.20%)p99.99(94.04%)d29.30(5.76%)	0.005525319	1.497375687 Hartree
545	RY(2)C26 s(0.28%)p99.99(92.78%)d24.81(6.94%)	0.002300272	0.909828999 Hartree
546	RY(3)C26 s(0.27%)p99.99(85.03%)d53.45(14.70%)	0.001060910	0.505512401 Hartree
547	RY(4)C26 s(4.21%)p0.84(3.54%)d21.92(92.25%)	0.000550997	2.269321843 Hartree
548	RY(5)C26 s(5.44%)p2.96(16.09%)d14.43(78.47%)	0.000473932	2.536113334 Hartree
549	RY(6)C26 s(0.65%)p90.50(58.52%)d63.15(40.84%)	0.000316817	2.944565637 Hartree
550	RY(7)C26 s(69.98%)p0.12(8.62%)d0.31(21.40%)	0.000183888	1.351650953 Hartree
551	RY(8)C26 s(2.89%)p1.49(4.30%)d32.09(92.81%)	0.000144099	2.012557401 Hartree
552	RY(9)C26 s(0.29%)p99.99(42.41%)d99.99(57.30%)	0.000109095	2.524872819 Hartree
553	RY(10)C26 s(0.10%)p99.99(16.96%)d99.99(82.94%)	0.000064167	0.981956341 Hartree
554	RY(11)C26 s(11.40%)p6.82(77.74%)d0.95(10.85%)	0.000035882	1.149568224 Hartree
555	RY(12)C26 s(2.50%)p24.90(62.13%)d14.18(35.38%)	0.000021640	2.463595889 Hartree
556	RY(13)C26 s(1.18%)p75.74(89.49%)d7.89(9.32%)	0.000018842	2.960946781 Hartree
557	RY(14)C26 s(0.81%)p30.83(25.08%)d91.12(74.11%)	0.000011745	2.077800165 Hartree
558	RY(15)C26 s(1.46%)p54.43(79.46%)d13.07(19.08%)	0.000006171	1.228599496 Hartree
559	RY(16)C26 s(1.07%)p28.49(30.39%)d64.26(68.54%)	0.000004029	3.244789557 Hartree
560	RY(17)C26 s(0.66%)p99.99(87.53%)d17.76(11.81%)	0.000000238	3.160754879 Hartree
561	RY(18)C26 s(9.94%)p1.03(10.29%)d8.02(79.76%)	0.000000981	5.570449779 Hartree
562	RY(19)C26 s(45.72%)p0.06(2.74%)d1.13(51.54%)	0.000001980	9.882786279 Hartree
563	RY(20)C26 s(40.79%)p0.15(6.06%)d1.30(53.15%)	0.000000395	9.884108614 Hartree
564	RY(21)C26 s(0.42%)p16.26(6.89%)d99.99(92.69%)	0.000000047	3.440391096 Hartree
565	RY(1)C27 s(0.16%)p99.99(89.04%)d67.36(10.80%)	0.004459835	1.427009841 Hartree
566	RY(2)C27 s(4.85%)p18.04(87.50%)d1.58(7.65%)	0.002852243	1.331716241 Hartree
567	RY(3)C27 s(1.82%)p47.58(86.49%)d6.43(11.69%)	0.001447737	0.940634912 Hartree
568	RY(4)C27 s(50.01%)p0.37(18.65%)d0.63(31.34%)	0.000738425	2.961064568 Hartree
569	RY(5)C27 s(2.45%)p5.18(12.66%)d34.69(84.89%)	0.000689880	2.033531451 Hartree
570	RY(6)C27 s(6.26%)p4.81(30.13%)d10.16(63.61%)	0.000414824	4.009927298 Hartree
571	RY(7)C27 s(5.33%)p10.17(54.22%)d7.58(40.44%)	0.000296396	2.671071869 Hartree
572	RY(8)C27 s(22.52%)p1.39(31.23%)d2.05(46.25%)	0.000189182	4.641978158 Hartree
573	RY(9)C27 s(11.33%)p1.25(14.13%)d6.58(74.54%)	0.000156125	3.730266152 Hartree
574	RY(10)C27 s(31.62%)p1.65(52.31%)d0.51(16.07%)	0.000108845	2.927006308 Hartree
575	RY(11)C27 s(4.03%)p7.87(31.74%)d15.93(64.23%)	0.000078200	2.902481428 Hartree
576	RY(12)C27 s(7.52%)p6.82(51.29%)d5.48(41.19%)	0.000053140	2.183947879 Hartree
577	RY(13)C27 s(21.25%)p0.71(15.14%)d2.99(63.61%)	0.000040398	2.767432278 Hartree
578	RY(14)C27 s(4.63%)p11.77(54.48%)d8.83(40.89%)	0.000031607	2.771312254 Hartree
579	RY(15)C27 s(4.18%)p11.17(46.65%)d11.78(49.18%)	0.000015363	1.730479179 Hartree
580	RY(16)C27 s(14.00%)p2.42(33.92%)d3.72(52.08%)	0.000015712	3.731666616 Hartree
581	RY(17)C27 s(14.10%)p2.35(33.08%)d3.75(52.82%)	0.000012882	3.050026243 Hartree
582	RY(18)C27 s(29.62%)p1.33(39.47%)d1.04(30.91%)	0.000008869	3.392173398 Hartree
583	RY(19)C27 s(33.14%)p0.36(11.93%)d1.66(54.93%)	0.000003659	4.548694365 Hartree
584	RY(20)C27 s(0.91%)p4.44(4.04%)d99.99(95.05%)	0.000003058	3.022619148 Hartree
585	RY(21)C27 s(29.86%)p0.31(9.37%)d2.04(60.77%)	0.000001809	4.645713154 Hartree
586	RY(22)C27 s(0.53%)p99.99(92.65%)d12.97(6.82%)	0.000000161	2.951814020 Hartree
587	RY(1)C28 s(1.92%)p49.38(94.97%)d1.62(3.11%)	0.002745576	0.780597778 Hartree
588	RY(2)C28 s(4.35%)p13.86(60.25%)d8.14(35.40%)	0.001055924	0.967399912 Hartree
589	RY(3)C28 s(26.36%)p2.56(67.41%)d0.24(6.23%)	0.000582128	1.134734490 Hartree
590	RY(4)C28 s(11.79%)p3.32(39.21%)d4.15(48.99%)	0.000273599	2.182202469 Hartree
591	RY(5)C28 s(4.32%)p3.15(13.62%)d19.01(82.07%)	0.000162701	1.408025372 Hartree
592	RY(6)C28 s(18.89%)p1.60(30.17%)d2.70(50.94%)	0.000091959	2.829445181 Hartree
593	RY(7)C28 s(32.74%)p0.81(26.67%)d1.24(40.59%)	0.000073197	4.758446341 Hartree
594	RY(8)C28 s(1.59%)p28.43(45.31%)d33.32(53.09%)	0.000056553	1.234401136 Hartree
595	RY(9)C28 s(1.36%)p34.66(46.98%)d38.12(51.66%)	0.000040347	1.285198746 Hartree
596	RY(10)C28 s(24.19%)p1.42(34.23%)d1.72(41.58%)	0.000027682	2.841718311 Hartree
597	RY(11)C28 s(3.49%)p13.75(48.00%)d13.90(48.51%)	0.000013393	1.755331895 Hartree
598	RY(12)C28 s(25.38%)p2.13(54.06%)d0.81(20.57%)	0.000009110	2.504688621 Hartree
599	RY(13)C28 s(22.70%)p2.06(46.70%)d1.35(30.60%)	0.000007097	3.165214300 Hartree
600	RY(14)C28 s(5.42%)p9.30(50.41%)d8.15(44.17%)	0.000004477	2.484954210 Hartree
601	RY(15)C28 s(8.96%)p3.71(33.27%)d6.45(57.77%)	0.000002740	5.100393503 Hartree
602	RY(16)C28 s(40.17%)p0.87(34.86%)d0.62(24.97%)	0.000002327	3.714376354 Hartree
603	RY(17)C28 s(10.99%)p5.87(64.50%)d2.23(24.51%)	0.000000779	3.655080796 Hartree
604	RY(18)C28 s(35.31%)p1.32(46.58%)d0.51(18.11%)	0.000001724	4.635584079 Hartree
605	RY(19)C28 s(1.57%)p18.42(28.84%)d44.46(69.59%)	0.000000580	3.477443109 Hartree
606	RY(20)C28 s(0.22%)p63.22(13.74%)d99.99(86.04%)	0.000000043	3.324214284 Hartree
607	RY(21)C28 s(15.66%)p1.05(16.45%)d4.34(67.90%)	0.000000340	4.340667659 Hartree
608	RY(22)C28 s(2.65%)p1.57(4.16%)d35.18(93.19%)	0.000000209	3.942578905 Hartree
609	RY(1)H29 s(98.85%)p0.01(1.15%)	0.000961223	0.596847591 Hartree
610	RY(2)H29 s(75.54%)p0.32(24.46%)	0.000088600	2.212322374 Hartree
611	RY(3)H29 s(7.01%)p13.26(92.99%)	0.000067165	2.048171655 Hartree
612	RY(4)H29 s(14.96%)p5.69(85.04%)	0.000040592	2.220189065 Hartree
613	RY(5)H29 s(3.69%)p26.08(96.31%)	0.000025960	2.415382636 Hartree
614	RY(1)H30 s(97.62%)p0.02(2.38%)	0.000853934	0.631394620 Hartree
615	RY(2)H30 s(68.13%)p0.47(31.87%)	0.000089492	2.275576091 Hartree
616	RY(3)H30 s(2.22%)p44.01(97.78%)	0.000053529	1.922828332 Hartree
617	RY(4)H30 s(13.23%)p6.56(86.77%)	0.000039323	2.263868399 Hartree
618	RY(5)H30 s(18.86%)p4.30(81.14%)	0.000020493	2.254637747 Hartree
619	RY(1)H31 s(98.25%)p0.02(1.75%)	0.000881444	0.551933106 Hartree
620	RY(2)H31 s(70.41%)p0.42(29.59%)	0.000090545	2.185881295 Hartree
621	RY(3)H31 s(1.31%)p75.52(98.69%)	0.000070274	2.005884812 Hartree
622	RY(4)H31 s(15.42%)p5.48(84.58%)	0.000035788	2.049796840 Hartree
623	RY(5)H31 s(14.67%)p5.82(85.33%)	0.000029253	2.663768787 Hartree
624	RY(1)H32 s(98.08%)p0.02(1.92%)	0.001359631	1.064273358 Hartree
625	RY(2)H32 s(70.96%)p0.41(29.04%)	0.000281517	2.697336224 Hartree
626	RY(3)H32 s(0.12%)p99.99(99.88%)	0.000175631	1.824118545 Hartree
627	RY(4)H32 s(0.25%)p99.99(99.75%)	0.000034626	2.266933031 Hartree
628	RY(5)H32 s(30.66%)p2.26(69.34%)	0.000026664	2.283949843 Hartree
629	RY(1)C33 s(0.01%)p1.00(96.87%)d0.03(3.13%)	0.003153504	0.675532570 Hartree
630	RY(2)C33 s(0.06%)p99.99(52.36%)d99.99(47.58%)	0.000969130	0.920094860 Hartree
631	RY(3)C33 s(3.06%)p18.28(55.97%)d13.38(40.97%)	0.000407329	1.529459686 Hartree
632	RY(4)C33 s(5.22%)p5.17(27.01%)d12.97(67.76%)	0.000143985	1.819533779 Hartree
633	RY(5)C33 s(2.80%)p11.65(32.60%)d23.09(64.60%)	0.000130527	1.819013583 Hartree
634	RY(6)C33 s(46.41%)p0.73(34.09%)d0.42(19.50%)	0.000049177	3.033328777 Hartree
635	RY(7)C33 s(6.16%)p4.66(28.71%)d10.57(65.13%)	0.000046422	1.340817563 Hartree
636	RY(8)C33 s(6.58%)p3.76(24.74%)d10.44(68.68%)	0.000040257	1.159796500 Hartree
637	RY(9)C33 s(24.80%)p1.10(27.38%)d1.93(47.81%)	0.000020705	1.515893640 Hartree
638	RY(10)C33 s(3.79%)p19.82(75.08%)d5.58(21.13%)	0.000010713	1.672475333 Hartree
639	RY(11)C33 s(37.99%)p0.85(32.13%)d0.79(29.89%)	0.000004870	1.827682820 Hartree
640	RY(12)C33 s(31.43%)p1.11(34.86%)d1.07(33.71%)	0.000002296	1.973134243 Hartree
641	RY(13)C33 s(25.74%)p2.32(59.58%)d0.57(14.68%)	0.000000992	1.453698152 Hartree
642	RY(14)C33 s(0.06%)p99.99(90.82%)d99.99(9.12%)	0.000000037	3.350977027 Hartree
643	RY(15)C33 s(42.48%)p0.46(19.71%)d0.89(37.81%)	0.000000591	9.491541616 Hartree
644	RY(16)C33 s(18.36%)p2.70(49.57%)d1.75(32.07%)	0.000001537	4.646878999 Hartree
645	RY(17)C33 s(0.06%)p99.99(6.63%)d99.99(93.31%)	0.000000021	3.140015695 Hartree
646	RY(18)C33 s(1.60%)p5.80(9.30%)d55.58(89.10%)	0.000000017	3.385241619 Hartree
647	RY(19)C33 s(13.05%)p4.72(61.65%)d1.94(25.30%)	0.000000281	5.103174603 Hartree
648	RY(20)C33 s(26.46%)p0.53(14.15%)d2.24(59.39%)	0.000000127	7.702908296 Hartree
649	RY(21)C33 s(3.86%)p16.85(65.04%)d8.05(31.10%)	0.000000405	1.970979825 Hartree
650	RY(22)C33 s(0.04%)p59.10(2.09%)d99.99(97.87%)	0.000000002	3.479801558 Hartree
651	RY(1)H34 s(97.79%)p0.02(2.21%)	0.000730663	0.520218704 Hartree
652	RY(2)H34 s(40.14%)p1.49(59.86%)	0.000098030	1.984672744 Hartree
653	RY(3)H34 s(5.61%)p16.83(94.39%)	0.000053525	1.948971321 Hartree
654	RY(4)H34 s(13.13%)p6.61(86.87%)	0.000041863	2.725385303 Hartree
655	RY(5)H34 s(43.39%)p1.30(56.61%)	0.000023573	2.111015320 Hartree
656	RY(1)H35 s(97.35%)p0.03(2.65%)	0.000797451	0.544214584 Hartree
657	RY(2)H35 s(42.20%)p1.37(57.80%)	0.000105990	2.003531202 Hartree
658	RY(3)H35 s(0.34%)p99.99(99.66%)	0.000051762	2.069866799 Hartree
659	RY(4)H35 s(1.39%)p70.95(98.61%)	0.000046349	2.446951686 Hartree
660	RY(5)H35 s(58.77%)p0.70(41.23%)	0.000010603	2.251570943 Hartree
661	RY(1)H36 s(97.22%)p0.03(2.78%)	0.000669367	0.563214512 Hartree
662	RY(2)H36 s(57.23%)p0.75(42.77%)	0.000071607	2.133164654 Hartree
663	RY(3)H36 s(5.07%)p18.71(94.93%)	0.000045438	1.923094738 Hartree
664	RY(4)H36 s(16.63%)p5.01(83.37%)	0.000033597	2.465087187 Hartree
665	RY(5)H36 s(23.90%)p3.18(76.10%)	0.000020582	2.120549570 Hartree
666	RY(1)H37 s(97.50%)p0.03(2.50%)	0.001183702	1.116919171 Hartree
667	RY(2)H37 s(67.08%)p0.49(32.92%)	0.000276344	2.691050458 Hartree
668	RY(3)H37 s(0.53%)p99.99(99.47%)	0.000168007	1.834795770 Hartree
669	RY(4)H37 s(1.54%)p63.99(98.46%)	0.000040512	2.241093539 Hartree
670	RY(5)H37 s(33.42%)p1.99(66.58%)	0.000031026	2.265334485 Hartree
671	RY(1)C38 s(0.12%)p99.99(96.75%)d26.44(3.14%)	0.002921960	0.783615325 Hartree
672	RY(2)C38 s(2.16%)p28.79(62.21%)d16.49(35.63%)	0.000906734	0.909939969 Hartree
673	RY(3)C38 s(33.03%)p1.84(60.78%)d0.19(6.19%)	0.000625545	1.065070369 Hartree
674	RY(4)C38 s(22.29%)p1.73(38.45%)d1.76(39.25%)	0.000257846	2.048820910 Hartree
675	RY(5)C38 s(9.86%)p1.96(19.30%)d7.18(70.83%)	0.000156473	1.614062517 Hartree
676	RY(6)C38 s(11.77%)p2.20(25.94%)d5.29(62.29%)	0.000102262	1.735644329 Hartree
677	RY(7)C38 s(16.14%)p1.86(29.96%)d3.34(53.91%)	0.000069745	2.812968583 Hartree
678	RY(8)C38 s(3.19%)p15.61(49.78%)d14.74(47.03%)	0.000042718	1.800848663 Hartree
679	RY(9)C38 s(1.58%)p9.90(15.67%)d52.27(82.74%)	0.000030182	1.703404422 Hartree
680	RY(10)C38 s(8.44%)p7.07(59.69%)d3.78(31.88%)	0.000020519	3.054046413 Hartree
681	RY(11)C38 s(8.61%)p6.04(51.97%)d4.58(39.42%)	0.000012240	1.832588826 Hartree
682	RY(12)C38 s(55.10%)p0.41(22.32%)d0.41(22.58%)	0.000005905	5.079248302 Hartree
683	RY(13)C38 s(39.42%)p1.06(41.69%)d0.48(18.89%)	0.000003700	2.713774697 Hartree
684	RY(14)C38 s(25.61%)p1.35(34.68%)d1.55(39.71%)	0.000003476	1.903082067 Hartree
685	RY(15)C38 s(1.30%)p56.99(74.22%)d18.80(24.48%)	0.000002177	1.867646905 Hartree
686	RY(16)C38 s(1.34%)p28.73(38.60%)d44.71(60.06%)	0.000001345	2.306621489 Hartree
687	RY(17)C38 s(42.17%)p0.91(38.46%)d0.46(19.36%)	0.000001920	8.735110492 Hartree
688	RY(18)C38 s(1.37%)p40.33(55.32%)d31.57(43.31%)	0.000000246	3.804318205 Hartree
689	RY(19)C38 s(1.19%)p31.14(37.10%)d51.79(61.71%)	0.000000059	3.832133764 Hartree
690	RY(20)C38 s(14.19%)p0.69(9.84%)d5.35(75.97%)	0.000000360	5.977027122 Hartree
691	RY(21)C38 s(1.11%)p28.20(31.32%)d60.86(67.57%)	0.000000205	3.227114346 Hartree
692	RY(22)C38 s(0.03%)p99.99(6.36%)d99.99(93.61%)	0.000000017	3.330199660 Hartree
693	RY(1)H39 s(99.30%)p0.01(0.70%)	0.000942956	0.628115795 Hartree
694	RY(2)H39 s(68.37%)p0.46(31.63%)	0.000096665	2.233171931 Hartree
695	RY(3)H39 s(4.58%)p20.83(95.42%)	0.000077562	1.986749112 Hartree
696	RY(4)H39 s(10.54%)p8.49(89.46%)	0.000034513	2.502679824 Hartree
697	RY(5)H39 s(17.27%)p4.79(82.73%)	0.000022760	2.145560060 Hartree
698	RY(1)H40 s(98.35%)p0.02(1.65%)	0.000893814	0.549531354 Hartree
699	RY(2)H40 s(60.48%)p0.65(39.52%)	0.000097920	2.195620636 Hartree
700	RY(3)H40 s(4.08%)p23.51(95.92%)	0.000070402	1.996982995 Hartree
701	RY(4)H40 s(9.70%)p9.31(90.30%)	0.000033585	2.327467993 Hartree
702	RY(5)H40 s(27.44%)p2.64(72.56%)	0.000025574	2.416519894 Hartree
703	RY(1)H41 s(97.67%)p0.02(2.33%)	0.000813007	0.610807475 Hartree
704	RY(2)H41 s(68.06%)p0.47(31.94%)	0.000082974	2.312374288 Hartree
705	RY(3)H41 s(2.41%)p40.48(97.59%)	0.000042905	1.975075647 Hartree
706	RY(4)H41 s(8.32%)p11.02(91.68%)	0.000036772	2.248527519 Hartree
707	RY(5)H41 s(23.59%)p3.24(76.41%)	0.000018171	2.204821645 Hartree
708	RY(1)H42 s(99.78%)p0.00(0.22%)	0.003108752	0.602534632 Hartree
709	RY(2)H42 s(61.83%)p0.62(38.17%)	0.000184011	2.701766499 Hartree
710	RY(3)H42 s(0.02%)p99.99(99.98%)	0.000120833	1.860644662 Hartree
711	RY(4)H42 s(37.03%)p1.70(62.97%)	0.000067889	2.259755798 Hartree
712	RY(5)H42 s(1.44%)p68.38(98.56%)	0.000041144	2.261677008 Hartree
713	RY(1)H43 s(99.78%)p0.00(0.22%)	0.003112733	0.602531275 Hartree
714	RY(2)H43 s(61.86%)p0.62(38.14%)	0.000184076	2.701967999 Hartree
715	RY(3)H43 s(0.02%)p99.99(99.98%)	0.000121091	1.860550820 Hartree
716	RY(4)H43 s(37.02%)p1.70(62.98%)	0.000067975	2.260200632 Hartree
717	RY(5)H43 s(1.43%)p69.05(98.57%)	0.000041157	2.261633385 Hartree
718	RY(1)H44 s(99.30%)p0.01(0.70%)	0.000944246	0.628718664 Hartree
719	RY(2)H44 s(68.40%)p0.46(31.60%)	0.000096645	2.233693862 Hartree
720	RY(3)H44 s(4.59%)p20.77(95.41%)	0.000077673	1.986417021 Hartree
721	RY(4)H44 s(10.53%)p8.50(89.47%)	0.000034529	2.501592178 Hartree
722	RY(5)H44 s(17.23%)p4.80(82.77%)	0.000022828	2.146240759 Hartree
723	RY(1)H45 s(98.33%)p0.02(1.67%)	0.000891646	0.549898613 Hartree
724	RY(2)H45 s(60.12%)p0.66(39.88%)	0.000097809	2.194084785 Hartree
725	RY(3)H45 s(4.21%)p22.75(95.79%)	0.000070303	1.997314791 Hartree
726	RY(4)H45 s(9.76%)p9.24(90.24%)	0.000033577	2.327761172 Hartree
727	RY(5)H45 s(27.62%)p2.62(72.38%)	0.000025452	2.416681496 Hartree
728	RY(1)H46 s(97.68%)p0.02(2.32%)	0.000811686	0.610719311 Hartree
729	RY(2)H46 s(67.95%)p0.47(32.05%)	0.000083083	2.310671034 Hartree
730	RY(3)H46 s(2.41%)p40.54(97.59%)	0.000042917	1.974999069 Hartree
731	RY(4)H46 s(8.29%)p11.07(91.71%)	0.000036798	2.252617358 Hartree
732	RY(5)H46 s(23.73%)p3.21(76.27%)	0.000018166	2.202885073 Hartree
733			********** Hartree
734			********** Hartree
735			********** Hartree
736			********** Hartree
737			********** Hartree
738			********** Hartree

Natural Bond Orbitals

Display Range		- / 738
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	CR(1)C1	469	1.999986520	-10.161413096 Hartree
2	CR(1)C2	470	1.999987079	-10.180575873 Hartree
3	CR(1)C3	471	1.999985360	-10.203383302 Hartree
4	CR(1)C4	472	1.999986969	-10.184566883 Hartree
5	CR(1)C5	473	1.999986141	-10.165346981 Hartree
6	CR(1)C6	474	1.999986933	-10.178518895 Hartree
7	CR(1)C7	475	1.999985951	-10.164598819 Hartree
8	CR(1)C9	476	1.999986352	-10.166819328 Hartree
9	CR(1)C14	477	1.999986533	-10.168655195 Hartree
10	CR(1)N18	478	1.999991844	-14.326593960 Hartree
11	CR(1)C19	479	1.999985492	-10.225179902 Hartree
12	CR(1)C20	480	1.999985492	-10.225157622 Hartree
13	CR(1)N21	481	1.999991843	-14.326586260 Hartree
14	CR(1)C22	482	1.999985362	-10.203407520 Hartree
15	CR(1)C23	483	1.999987082	-10.180672989 Hartree
16	CR(1)C24	484	1.999985920	-10.164565249 Hartree
17	CR(1)C25	485	1.999986922	-10.178543692 Hartree
18	CR(1)C26	486	1.999986144	-10.165415731 Hartree
19	CR(1)C27	487	1.999986967	-10.184503084 Hartree
20	CR(1)C28	488	1.999986530	-10.168659501 Hartree
21	CR(1)C33	489	1.999986327	-10.166833794 Hartree
22	CR(1)C38	490	1.999986519	-10.161432960 Hartree
23	LP(1)N18	491	1.880818440	-0.311933229 Hartree
24	LP(1)N21	492	1.880907737	-0.311926894 Hartree
25	BD(1)C1-C2	493, 494	1.981417998	-0.534176067 Hartree
26	BD(1)C1-H44	495, 496	1.978909028	-0.458658123 Hartree
27	BD(1)C1-H45	497, 498	1.976942968	-0.460920041 Hartree
28	BD(1)C1-H46	499, 500	1.989321816	-0.464167396 Hartree
29	BD(1)C2-C3	501, 502	1.963485064	-0.579842159 Hartree
30	BD(1)C2-C7	503, 504	1.970843623	-0.581698623 Hartree
31	BD(2)C2-C7	505, 506	1.674840839	-0.242923380 Hartree
32	BD(1)C3-C4	507, 508	1.966336802	-0.585842849 Hartree
33	BD(2)C3-C4	509, 510	1.636967407	-0.245712732 Hartree
34	BD(1)C3-N18	511, 512	1.977668532	-0.664519140 Hartree
35	BD(1)C4-C5	513, 514	1.969204740	-0.578895214 Hartree
36	BD(1)C4-C14	515, 516	1.981905693	-0.538032437 Hartree
37	BD(1)C5-C6	517, 518	1.971984918	-0.581104785 Hartree
38	BD(2)C5-C6	519, 520	1.661184366	-0.242100122 Hartree
39	BD(1)C5-H13	521, 522	1.980027670	-0.472803903 Hartree
40	BD(1)C6-C7	523, 524	1.971560866	-0.578436449 Hartree
41	BD(1)C6-C9	525, 526	1.982899264	-0.537110121 Hartree
42	BD(1)C7-H8	527, 528	1.980136844	-0.472120143 Hartree
43	BD(1)C9-H10	529, 530	1.988398661	-0.468115193 Hartree
44	BD(1)C9-H11	531, 532	1.985495005	-0.467418404 Hartree
45	BD(1)C9-H12	533, 534	1.976262670	-0.465283580 Hartree
46	BD(1)C14-H15	535, 536	1.977852909	-0.469320411 Hartree
47	BD(1)C14-H16	537, 538	1.983952655	-0.469627019 Hartree
48	BD(1)C14-H17	539, 540	1.987209645	-0.468908557 Hartree
49	BD(1)N18-C19	541, 542	1.986847157	-0.763569199 Hartree
50	BD(2)N18-C19	543, 544	1.907062244	-0.337627916 Hartree
51	BD(1)C19-C20	545, 546	1.977284422	-0.592718844 Hartree
52	BD(1)C19-H43	547, 548	1.986253628	-0.508318030 Hartree
53	BD(1)C20-N21	549, 550	1.986855334	-0.763563312 Hartree
54	BD(2)C20-N21	551, 552	1.906937829	-0.337606843 Hartree
55	BD(1)C20-H42	553, 554	1.986240576	-0.508296681 Hartree
56	BD(1)N21-C22	555, 556	1.977670683	-0.664535841 Hartree
57	BD(1)C22-C23	557, 558	1.963479017	-0.579579830 Hartree
58	BD(1)C22-C27	559, 560	1.966367158	-0.586099483 Hartree
59	BD(2)C22-C27	561, 562	1.639378835	-0.245907920 Hartree
60	BD(1)C23-C24	563, 564	1.970868852	-0.582020532 Hartree
61	BD(2)C23-C24	565, 566	1.677499897	-0.243183764 Hartree
62	BD(1)C23-C38	567, 568	1.981425956	-0.534215973 Hartree
63	BD(1)C24-C25	569, 570	1.971503458	-0.578108283 Hartree
64	BD(1)C24-H37	571, 572	1.980097356	-0.472133867 Hartree
65	BD(1)C25-C26	573, 574	1.972058751	-0.581460216 Hartree
66	BD(2)C25-C26	575, 576	1.663981699	-0.242277317 Hartree
67	BD(1)C25-C33	577, 578	1.982897095	-0.537119209 Hartree
68	BD(1)C26-C27	579, 580	1.969171234	-0.578594437 Hartree
69	BD(1)C26-H32	581, 582	1.980062236	-0.472828883 Hartree
70	BD(1)C27-C28	583, 584	1.981903411	-0.538009895 Hartree
71	BD(1)C28-H29	585, 586	1.983974900	-0.469660013 Hartree
72	BD(1)C28-H30	587, 588	1.987180453	-0.468890677 Hartree
73	BD(1)C28-H31	589, 590	1.977840715	-0.469306920 Hartree
74	BD(1)C33-H34	591, 592	1.983297415	-0.466983324 Hartree
75	BD(1)C33-H35	593, 594	1.977291324	-0.465558428 Hartree
76	BD(1)C33-H36	595, 596	1.989591656	-0.468305269 Hartree
77	BD(1)C38-H39	597, 598	1.978879844	-0.458679321 Hartree
78	BD(1)C38-H40	599, 600	1.976971018	-0.460939649 Hartree
79	BD(1)C38-H41	601, 602	1.989327130	-0.464191747 Hartree
80	BD*(1)C1-C2		0.014586374	0.425765906 Hartree
81	BD*(1)C1-H44		0.008784796	0.410660241 Hartree
82	BD*(1)C1-H45		0.010490022	0.401642704 Hartree
83	BD*(1)C1-H46		0.005884648	0.409123275 Hartree
84	BD*(1)C2-C3		0.032509494	0.562830658 Hartree
85	BD*(1)C2-C7		0.020157024	0.585368187 Hartree
86	BD*(2)C2-C7		0.334386760	0.045685469 Hartree
87	BD*(1)C3-C4		0.036074317	0.566882978 Hartree
88	BD*(2)C3-C4		0.392714397	0.040272901 Hartree
89	BD*(1)C3-N18		0.026397061	0.446843988 Hartree
90	BD*(1)C4-C5		0.020397745	0.574132382 Hartree
91	BD*(1)C4-C14		0.014800858	0.415027479 Hartree
92	BD*(1)C5-C6		0.023253104	0.585340648 Hartree
93	BD*(2)C5-C6		0.352838267	0.044985090 Hartree
94	BD*(1)C5-H13		0.015994139	0.437641789 Hartree
95	BD*(1)C6-C7		0.023388779	0.581356868 Hartree
96	BD*(1)C6-C9		0.015454804	0.418080442 Hartree
97	BD*(1)C7-H8		0.015909276	0.437862391 Hartree
98	BD*(1)C9-H10		0.004928527	0.400836515 Hartree
99	BD*(1)C9-H11		0.006537492	0.399177742 Hartree
100	BD*(1)C9-H12		0.010875435	0.394029094 Hartree
101	BD*(1)C14-H15		0.010906428	0.396027712 Hartree
102	BD*(1)C14-H16		0.007372639	0.402971459 Hartree
103	BD*(1)C14-H17		0.006853969	0.403429312 Hartree
104	BD*(1)N18-C19		0.009119369	0.626712859 Hartree
105	BD*(2)N18-C19		0.118886524	0.016829985 Hartree
106	BD*(1)C19-C20		0.037447980	0.444083691 Hartree
107	BD*(1)C19-H43		0.043444208	0.390849677 Hartree
108	BD*(1)C20-N21		0.009120995	0.626701102 Hartree
109	BD*(2)C20-N21		0.119046969	0.016817235 Hartree
110	BD*(1)C20-H42		0.043426598	0.390925302 Hartree
111	BD*(1)N21-C22		0.026393509	0.446906913 Hartree
112	BD*(1)C22-C23		0.032558300	0.561945505 Hartree
113	BD*(1)C22-C27		0.036037436	0.567710471 Hartree
114	BD*(2)C22-C27		0.390389532	0.040459311 Hartree
115	BD*(1)C23-C24		0.020082407	0.586345455 Hartree
116	BD*(2)C23-C24		0.331055571	0.045865371 Hartree
117	BD*(1)C23-C38		0.014587752	0.425726367 Hartree
118	BD*(1)C24-C25		0.023540996	0.580542611 Hartree
119	BD*(1)C24-H37		0.015884952	0.437400835 Hartree
120	BD*(1)C25-C26		0.023096051	0.586782445 Hartree
121	BD*(2)C25-C26		0.350439354	0.045074592 Hartree
122	BD*(1)C25-C33		0.015458527	0.418081251 Hartree
123	BD*(1)C26-C27		0.020472389	0.573377305 Hartree
124	BD*(1)C26-H32		0.016020543	0.438102679 Hartree
125	BD*(1)C27-C28		0.014802362	0.414985673 Hartree
126	BD*(1)C28-H29		0.007330557	0.403035099 Hartree
127	BD*(1)C28-H30		0.006893434	0.403430027 Hartree
128	BD*(1)C28-H31		0.010917978	0.396013968 Hartree
129	BD*(1)C33-H34		0.007633592	0.397990473 Hartree
130	BD*(1)C33-H35		0.010371013	0.394631761 Hartree
131	BD*(1)C33-H36		0.004334196	0.401554971 Hartree
132	BD*(1)C38-H39		0.008787135	0.410614664 Hartree
133	BD*(1)C38-H40		0.010483037	0.401660944 Hartree
134	BD*(1)C38-H41		0.005881425	0.409109460 Hartree
135	RY(1)C1	603	0.002921332	0.783627523 Hartree
136	RY(2)C1	604	0.000909711	0.909449583 Hartree
137	RY(3)C1	605	0.000624892	1.064542690 Hartree
138	RY(4)C1	606	0.000257689	2.054191085 Hartree
139	RY(5)C1	607	0.000156428	1.613241604 Hartree
140	RY(6)C1	608	0.000101874	1.735888252 Hartree
141	RY(7)C1	609	0.000069947	2.827120272 Hartree
142	RY(8)C1	610	0.000042630	1.842034293 Hartree
143	RY(9)C1	611	0.000029584	1.659623528 Hartree
144	RY(10)C1	612	0.000020368	3.125871101 Hartree
145	RY(11)C1	613	0.000012289	1.788216863 Hartree
146	RY(12)C1	614	0.000005848	5.172562761 Hartree
147	RY(13)C1	615	0.000003747	2.848909397 Hartree
148	RY(14)C1	616	0.000003495	1.617404988 Hartree
149	RY(15)C1	617	0.000002195	1.738690896 Hartree
150	RY(16)C1	618	0.000001312	2.342083136 Hartree
151	RY(17)C1	619	0.000001967	8.904772488 Hartree
152	RY(18)C1	620	0.000000236	3.893002950 Hartree
153	RY(19)C1	621	0.000000016	3.303000024 Hartree
154	RY(20)C1	622	0.000000351	5.814283902 Hartree
155	RY(21)C1	623	0.000000200	3.227843008 Hartree
156	RY(22)C1	624	0.000000052	3.840841966 Hartree
157	RY(1)C2	625	0.005031877	1.409890875 Hartree
158	RY(2)C2	626	0.002985134	1.244913969 Hartree
159	RY(3)C2	627	0.001455993	0.877054010 Hartree
160	RY(4)C2	628	0.000665518	2.992659587 Hartree
161	RY(5)C2	629	0.000616404	2.053600615 Hartree
162	RY(6)C2	630	0.000397010	3.951441611 Hartree
163	RY(7)C2	631	0.000253723	3.390499327 Hartree
164	RY(8)C2	632	0.000217674	1.914888956 Hartree
165	RY(9)C2	633	0.000178743	1.631661800 Hartree
166	RY(10)C2	634	0.000116528	6.689370183 Hartree
167	RY(11)C2	635	0.000074920	2.645444170 Hartree
168	RY(12)C2	636	0.000057822	2.374427266 Hartree
169	RY(13)C2	637	0.000029794	3.146803314 Hartree
170	RY(14)C2	638	0.000020153	3.129003882 Hartree
171	RY(15)C2	639	0.000015143	3.372524166 Hartree
172	RY(16)C2	640	0.000011554	3.300444660 Hartree
173	RY(17)C2	641	0.000006769	2.479522043 Hartree
174	RY(18)C2	642	0.000005532	1.774360177 Hartree
175	RY(19)C2	643	0.000002899	3.874735486 Hartree
176	RY(20)C2	644	0.000002505	3.194529160 Hartree
177	RY(21)C2	645	0.000001210	6.581672300 Hartree
178	RY(22)C2	646	0.000000692	5.124590420 Hartree
179	RY(1)C3	647	0.007105495	1.436878740 Hartree
180	RY(2)C3	648	0.003459740	1.358305435 Hartree
181	RY(3)C3	649	0.001778398	1.343312021 Hartree
182	RY(4)C3	650	0.000929674	2.689026102 Hartree
183	RY(5)C3	651	0.000781888	2.076011339 Hartree
184	RY(6)C3	652	0.000664577	1.835998190 Hartree
185	RY(7)C3	653	0.000543672	2.007926300 Hartree
186	RY(8)C3	654	0.000462913	2.936931149 Hartree
187	RY(9)C3	655	0.000415073	2.411078792 Hartree
188	RY(10)C3	656	0.000257678	2.252865923 Hartree
189	RY(11)C3	657	0.000170483	1.959029468 Hartree
190	RY(12)C3	658	0.000073335	3.048851774 Hartree
191	RY(13)C3	659	0.000045849	2.135773150 Hartree
192	RY(14)C3	660	0.000043898	2.730848165 Hartree
193	RY(15)C3	661	0.000029179	3.150472969 Hartree
194	RY(16)C3	662	0.000022738	3.224077284 Hartree
195	RY(17)C3	663	0.000011255	3.136595999 Hartree
196	RY(18)C3	664	0.000008201	3.467186875 Hartree
197	RY(19)C3	665	0.000002643	3.534479575 Hartree
198	RY(20)C3	666	0.000001095	7.676104406 Hartree
199	RY(21)C3	667	0.000000698	13.006806309 Hartree
200	RY(1)C4	668	0.004454050	1.426215488 Hartree
201	RY(2)C4	669	0.002847621	1.339758416 Hartree
202	RY(3)C4	670	0.001441129	0.937717473 Hartree
203	RY(4)C4	671	0.000742765	2.971036091 Hartree
204	RY(5)C4	672	0.000693673	2.031494578 Hartree
205	RY(6)C4	673	0.000416154	4.034559940 Hartree
206	RY(7)C4	674	0.000296149	2.692827084 Hartree
207	RY(8)C4	675	0.000188831	4.362931634 Hartree
208	RY(9)C4	676	0.000155236	3.974167174 Hartree
209	RY(10)C4	677	0.000108428	2.897566670 Hartree
210	RY(11)C4	678	0.000077922	2.891279683 Hartree
211	RY(12)C4	679	0.000052764	2.171445035 Hartree
212	RY(13)C4	680	0.000039957	2.845174119 Hartree
213	RY(14)C4	681	0.000030266	2.703640356 Hartree
214	RY(15)C4	682	0.000015177	1.980227524 Hartree
215	RY(16)C4	683	0.000015789	3.770498891 Hartree
216	RY(17)C4	684	0.000012451	2.851240999 Hartree
217	RY(18)C4	685	0.000009170	3.301308800 Hartree
218	RY(19)C4	686	0.000003344	3.005223706 Hartree
219	RY(20)C4	687	0.000003579	4.700181209 Hartree
220	RY(21)C4	688	0.000001780	4.501399215 Hartree
221	RY(22)C4	689	0.000000169	2.939200533 Hartree
222	RY(1)C5	690	0.005560589	1.492855272 Hartree
223	RY(2)C5	691	0.002335519	0.907433270 Hartree
224	RY(3)C5	692	0.001051713	0.519939665 Hartree
225	RY(4)C5	693	0.000548991	2.252928140 Hartree
226	RY(5)C5	694	0.000462263	2.554654331 Hartree
227	RY(6)C5	695	0.000325297	2.895355952 Hartree
228	RY(7)C5	696	0.000185435	1.393852073 Hartree
229	RY(8)C5	697	0.000146580	1.986724180 Hartree
230	RY(9)C5	698	0.000108664	2.543867576 Hartree
231	RY(10)C5	699	0.000059721	1.029131075 Hartree
232	RY(11)C5	700	0.000036405	1.160940960 Hartree
233	RY(12)C5	701	0.000024719	2.157344794 Hartree
234	RY(13)C5	702	0.000019247	3.485174448 Hartree
235	RY(14)C5	703	0.000010268	1.837120788 Hartree
236	RY(15)C5	704	0.000005703	1.833188401 Hartree
237	RY(16)C5	705	0.000004180	2.764420284 Hartree
238	RY(17)C5	706	0.000001905	9.553969752 Hartree
239	RY(18)C5	707	0.000000967	5.847876327 Hartree
240	RY(19)C5	708	0.000000214	3.317180501 Hartree
241	RY(20)C5	709	0.000000402	9.636578564 Hartree
242	RY(21)C5	710	0.000000047	3.459456806 Hartree
243	RY(1)C6	711	0.005990297	1.241608407 Hartree
244	RY(2)C6	712	0.001933463	1.391651362 Hartree
245	RY(3)C6	713	0.001450790	0.933505286 Hartree
246	RY(4)C6	714	0.000564085	2.430179868 Hartree
247	RY(5)C6	715	0.000409556	3.513520269 Hartree
248	RY(6)C6	716	0.000368223	2.968279660 Hartree
249	RY(7)C6	717	0.000216511	1.767171857 Hartree
250	RY(8)C6	718	0.000167586	2.673184758 Hartree
251	RY(9)C6	719	0.000146296	3.229179164 Hartree
252	RY(10)C6	720	0.000062324	1.717781084 Hartree
253	RY(11)C6	721	0.000045281	2.838965657 Hartree
254	RY(12)C6	722	0.000030536	1.531031653 Hartree
255	RY(13)C6	723	0.000020504	1.984722015 Hartree
256	RY(14)C6	724	0.000009970	4.001925528 Hartree
257	RY(15)C6	725	0.000008815	3.058900506 Hartree
258	RY(16)C6	726	0.000005579	6.004198670 Hartree
259	RY(17)C6	727	0.000004170	2.177717688 Hartree
260	RY(18)C6	728	0.000000810	11.151083502 Hartree
261	RY(19)C6	729	0.000001655	3.841448117 Hartree
262	RY(20)C6	730	0.000001143	2.541088448 Hartree
263	RY(21)C6	731	0.000000441	2.312057715 Hartree
264	RY(22)C6	732	0.000000067	2.867573806 Hartree
265	RY(1)C7	733	0.005518073	1.442011270 Hartree
266	RY(2)C7	734	0.001989819	1.002392498 Hartree
267	RY(3)C7	735	0.000984878	0.552679316 Hartree
268	RY(4)C7	736	0.000534550	2.159270673 Hartree
269	RY(5)C7	737	0.000434650	2.583794200 Hartree
270	RY(6)C7	738	0.000306497	2.821292064 Hartree
271	RY(7)C7	739	0.000171871	1.657400896 Hartree
272	RY(8)C7	740	0.000142066	2.234071018 Hartree
273	RY(9)C7	741	0.000080665	2.474965948 Hartree
274	RY(10)C7	742	0.000059262	1.082478303 Hartree
275	RY(11)C7	743	0.000038273	1.397920232 Hartree
276	RY(12)C7	744	0.000025902	2.110422745 Hartree
277	RY(13)C7	745	0.000014309	3.352239887 Hartree
278	RY(14)C7	746	0.000011198	1.446497830 Hartree
279	RY(15)C7	747	0.000004936	2.075683472 Hartree
280	RY(16)C7	748	0.000003619	4.178233943 Hartree
281	RY(17)C7	749	0.000000144	3.572499231 Hartree
282	RY(18)C7	750	0.000001063	4.615053672 Hartree
283	RY(19)C7	751	0.000000607	5.823760314 Hartree
284	RY(20)C7	752	0.000001333	12.262310242 Hartree
285	RY(21)C7	753	0.000000075	3.598350917 Hartree
286	RY(1)H8	754	0.001194922	1.114981728 Hartree
287	RY(2)H8	755	0.000279326	2.691606796 Hartree
288	RY(3)H8	756	0.000167902	1.837244213 Hartree
289	RY(4)H8	757	0.000039517	2.238051392 Hartree
290	RY(5)H8	758	0.000030497	2.263683617 Hartree
291	RY(1)C9	759	0.003184012	0.663614831 Hartree
292	RY(2)C9	760	0.000944490	0.961114227 Hartree
293	RY(3)C9	761	0.000408029	1.517463544 Hartree
294	RY(4)C9	762	0.000147537	1.622203857 Hartree
295	RY(5)C9	763	0.000136564	2.039660461 Hartree
296	RY(6)C9	764	0.000050445	2.839552508 Hartree
297	RY(7)C9	765	0.000042808	1.211990738 Hartree
298	RY(8)C9	766	0.000039012	1.345914868 Hartree
299	RY(9)C9	767	0.000019170	1.599970405 Hartree
300	RY(10)C9	768	0.000010554	1.741517761 Hartree
301	RY(11)C9	769	0.000004932	1.764726628 Hartree
302	RY(12)C9	770	0.000001028	1.331360667 Hartree
303	RY(13)C9	771	0.000001929	2.312096795 Hartree
304	RY(14)C9	772	0.000000011	3.213678136 Hartree
305	RY(15)C9	773	0.000000547	8.929502867 Hartree
306	RY(16)C9	774	0.000001442	4.033006150 Hartree
307	RY(17)C9	775	0.000000037	3.412565468 Hartree
308	RY(18)C9	776	0.000000148	8.531830874 Hartree
309	RY(19)C9	777	0.000000319	4.278103119 Hartree
310	RY(20)C9	778	0.000000018	3.404170492 Hartree
311	RY(21)C9	779	0.000000381	2.824039281 Hartree
312	RY(22)C9	780	0.000000002	3.424181422 Hartree
313	RY(1)H10	781	0.000674930	0.552025011 Hartree
314	RY(2)H10	782	0.000074085	2.092037913 Hartree
315	RY(3)H10	783	0.000048208	1.944009474 Hartree
316	RY(4)H10	784	0.000035265	2.531778865 Hartree
317	RY(5)H10	785	0.000022251	2.081241464 Hartree
318	RY(1)H11	786	0.000709962	0.523296700 Hartree
319	RY(2)H11	787	0.000090911	2.000977590 Hartree
320	RY(3)H11	788	0.000053626	1.949833728 Hartree
321	RY(4)H11	789	0.000040309	2.709458543 Hartree
322	RY(5)H11	790	0.000023117	2.089517945 Hartree
323	RY(1)H12	791	0.000815833	0.552216733 Hartree
324	RY(2)H12	792	0.000106463	1.997256271 Hartree
325	RY(3)H12	793	0.000051667	2.211711615 Hartree
326	RY(4)H12	794	0.000046702	2.276694098 Hartree
327	RY(5)H12	795	0.000007404	2.262406850 Hartree
328	RY(1)H13	796	0.001355222	1.061129690 Hartree
329	RY(2)H13	797	0.000280284	2.696684601 Hartree
330	RY(3)H13	798	0.000176086	1.824559522 Hartree
331	RY(4)H13	799	0.000035300	2.265788288 Hartree
332	RY(5)H13	800	0.000026847	2.284537581 Hartree
333	RY(1)C14	801	0.002744610	0.780662255 Hartree
334	RY(2)C14	802	0.001054844	0.970024558 Hartree
335	RY(3)C14	803	0.000583235	1.133819563 Hartree
336	RY(4)C14	804	0.000273784	2.177115121 Hartree
337	RY(5)C14	805	0.000163068	1.413459241 Hartree
338	RY(6)C14	806	0.000092031	2.840971183 Hartree
339	RY(7)C14	807	0.000073368	4.669218437 Hartree
340	RY(8)C14	808	0.000056694	1.221029811 Hartree
341	RY(9)C14	809	0.000040734	1.275562824 Hartree
342	RY(10)C14	810	0.000027590	2.831785792 Hartree
343	RY(11)C14	811	0.000013649	1.760156552 Hartree
344	RY(12)C14	812	0.000009034	2.531661860 Hartree
345	RY(13)C14	813	0.000007036	3.155298085 Hartree
346	RY(14)C14	814	0.000004489	2.410475561 Hartree
347	RY(15)C14	815	0.000002750	5.654821331 Hartree
348	RY(16)C14	816	0.000002329	3.442509667 Hartree
349	RY(17)C14	817	0.000000767	3.710295962 Hartree
350	RY(18)C14	818	0.000001672	4.405086208 Hartree
351	RY(19)C14	819	0.000000580	3.475123893 Hartree
352	RY(20)C14	820	0.000000041	3.322583277 Hartree
353	RY(21)C14	821	0.000000332	4.513465835 Hartree
354	RY(22)C14	822	0.000000210	3.864278910 Hartree
355	RY(1)H15	823	0.000881700	0.551639154 Hartree
356	RY(2)H15	824	0.000090604	2.187424693 Hartree
357	RY(3)H15	825	0.000070382	2.005423125 Hartree
358	RY(4)H15	826	0.000035732	2.047700553 Hartree
359	RY(5)H15	827	0.000029327	2.666195463 Hartree
360	RY(1)H16	828	0.000967340	0.595266565 Hartree
361	RY(2)H16	829	0.000088477	2.211751236 Hartree
362	RY(3)H16	830	0.000067088	2.047430838 Hartree
363	RY(4)H16	831	0.000040591	2.225612225 Hartree
364	RY(5)H16	832	0.000026024	2.413386402 Hartree
365	RY(1)H17	833	0.000856494	0.631102860 Hartree
366	RY(2)H17	834	0.000089257	2.274567515 Hartree
367	RY(3)H17	835	0.000053464	1.922757183 Hartree
368	RY(4)H17	836	0.000039219	2.265471481 Hartree
369	RY(5)H17	837	0.000020490	2.254304262 Hartree
370	RY(1)N18	838	0.007148776	0.908259724 Hartree
371	RY(2)N18	839	0.002811779	0.950452519 Hartree
372	RY(3)N18	840	0.000976140	1.570247135 Hartree
373	RY(4)N18	841	0.000517295	1.412254558 Hartree
374	RY(5)N18	842	0.000367718	1.594386007 Hartree
375	RY(6)N18	843	0.000240280	2.761214831 Hartree
376	RY(7)N18	844	0.000166191	2.403037499 Hartree
377	RY(8)N18	845	0.000149477	1.863416741 Hartree
378	RY(9)N18	846	0.000087898	2.761203002 Hartree
379	RY(10)N18	847	0.000078347	1.363521060 Hartree
380	RY(11)N18	848	0.000036254	3.830411846 Hartree
381	RY(12)N18	849	0.000034010	2.114828272 Hartree
382	RY(13)N18	850	0.000023074	1.717623826 Hartree
383	RY(14)N18	851	0.000011657	3.628809306 Hartree
384	RY(15)N18	852	0.000009503	3.416154174 Hartree
385	RY(16)N18	853	0.000009883	3.023491479 Hartree
386	RY(17)N18	854	0.000004753	4.830433659 Hartree
387	RY(18)N18	855	0.000001776	5.119187732 Hartree
388	RY(19)N18	856	0.000000302	16.887634176 Hartree
389	RY(20)N18	857	0.000000403	15.750804159 Hartree
390	RY(21)N18	858	0.000000670	4.173137565 Hartree
391	RY(22)N18	859	0.000000217	6.946148912 Hartree
392	RY(1)C19	860	0.006381494	1.386817716 Hartree
393	RY(2)C19	861	0.004821644	1.620790583 Hartree
394	RY(3)C19	862	0.001856184	1.404647176 Hartree
395	RY(4)C19	863	0.001098079	0.960056697 Hartree
396	RY(5)C19	864	0.000737553	2.568659705 Hartree
397	RY(6)C19	865	0.000589242	2.673093652 Hartree
398	RY(7)C19	866	0.000305840	5.493813649 Hartree
399	RY(8)C19	867	0.000141000	3.082174031 Hartree
400	RY(9)C19	868	0.000127227	2.209102633 Hartree
401	RY(10)C19	869	0.000071003	2.378779713 Hartree
402	RY(11)C19	870	0.000063549	1.934375612 Hartree
403	RY(12)C19	871	0.000034310	4.062148691 Hartree
404	RY(13)C19	872	0.000028740	2.453895227 Hartree
405	RY(14)C19	873	0.000016261	3.691371128 Hartree
406	RY(15)C19	874	0.000012055	2.878652954 Hartree
407	RY(16)C19	875	0.000010086	3.426749689 Hartree
408	RY(17)C19	876	0.000005703	2.943758466 Hartree
409	RY(18)C19	877	0.000003754	3.158296112 Hartree
410	RY(19)C19	878	0.000004368	3.145342037 Hartree
411	RY(20)C19	879	0.000003239	5.068167667 Hartree
412	RY(21)C19	880	0.000001014	3.311608983 Hartree
413	RY(22)C19	881	0.000001636	3.377190719 Hartree
414	RY(1)C20	882	0.006382477	1.385229515 Hartree
415	RY(2)C20	883	0.004820951	1.620733058 Hartree
416	RY(3)C20	884	0.001858662	1.406887709 Hartree
417	RY(4)C20	885	0.001098929	0.958735726 Hartree
418	RY(5)C20	886	0.000737699	2.571496472 Hartree
419	RY(6)C20	887	0.000589397	2.669241005 Hartree
420	RY(7)C20	888	0.000305414	5.485828606 Hartree
421	RY(8)C20	889	0.000140895	3.046661243 Hartree
422	RY(9)C20	890	0.000126740	2.243679883 Hartree
423	RY(10)C20	891	0.000071041	2.389024240 Hartree
424	RY(11)C20	892	0.000063686	1.918512734 Hartree
425	RY(12)C20	893	0.000034456	4.056252508 Hartree
426	RY(13)C20	894	0.000028653	2.506313306 Hartree
427	RY(14)C20	895	0.000016309	3.672263686 Hartree
428	RY(15)C20	896	0.000012101	2.854951050 Hartree
429	RY(16)C20	897	0.000010059	3.419694339 Hartree
430	RY(17)C20	898	0.000005756	2.960335909 Hartree
431	RY(18)C20	899	0.000003784	3.143804383 Hartree
432	RY(19)C20	900	0.000004365	3.123851799 Hartree
433	RY(20)C20	901	0.000003263	5.113618136 Hartree
434	RY(21)C20	902	0.000001637	3.372258663 Hartree
435	RY(22)C20	903	0.000001018	3.311383324 Hartree
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437	RY(2)N21	905	0.002811526	0.952365230 Hartree
438	RY(3)N21	906	0.000971339	1.567501308 Hartree
439	RY(4)N21	907	0.000517349	1.410542939 Hartree
440	RY(5)N21	908	0.000368211	1.597009928 Hartree
441	RY(6)N21	909	0.000239932	2.762456369 Hartree
442	RY(7)N21	910	0.000167198	2.404614976 Hartree
443	RY(8)N21	911	0.000150233	1.854933303 Hartree
444	RY(9)N21	912	0.000088032	2.740550271 Hartree
445	RY(10)N21	913	0.000078565	1.382396754 Hartree
446	RY(11)N21	914	0.000036341	3.751918592 Hartree
447	RY(12)N21	915	0.000034077	2.183487934 Hartree
448	RY(13)N21	916	0.000022994	1.725923038 Hartree
449	RY(14)N21	917	0.000011656	3.638982584 Hartree
450	RY(15)N21	918	0.000009984	2.964113086 Hartree
451	RY(16)N21	919	0.000009469	3.481393516 Hartree
452	RY(17)N21	920	0.000004763	4.852597576 Hartree
453	RY(18)N21	921	0.000001779	5.116778575 Hartree
454	RY(19)N21	922	0.000000399	15.324374772 Hartree
455	RY(20)N21	923	0.000000297	17.559132023 Hartree
456	RY(21)N21	924	0.000000667	4.174731122 Hartree
457	RY(22)N21	925	0.000000218	6.677200326 Hartree
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459	RY(2)C22	927	0.003461009	1.360890489 Hartree
460	RY(3)C22	928	0.001777057	1.340735414 Hartree
461	RY(4)C22	929	0.000930392	2.688645330 Hartree
462	RY(5)C22	930	0.000782191	2.073261820 Hartree
463	RY(6)C22	931	0.000661515	1.834302930 Hartree
464	RY(7)C22	932	0.000544689	2.014576957 Hartree
465	RY(8)C22	933	0.000462825	2.935297878 Hartree
466	RY(9)C22	934	0.000415452	2.400248497 Hartree
467	RY(10)C22	935	0.000258098	2.243879602 Hartree
468	RY(11)C22	936	0.000170869	1.964193981 Hartree
469	RY(12)C22	937	0.000073545	3.053189839 Hartree
470	RY(13)C22	938	0.000045552	2.082993035 Hartree
471	RY(14)C22	939	0.000043851	2.749796334 Hartree
472	RY(15)C22	940	0.000029899	3.134611528 Hartree
473	RY(16)C22	941	0.000022894	3.269017190 Hartree
474	RY(17)C22	942	0.000011327	3.130961569 Hartree
475	RY(18)C22	943	0.000008173	3.427393806 Hartree
476	RY(19)C22	944	0.000002647	3.543425491 Hartree
477	RY(20)C22	945	0.000000674	12.386063012 Hartree
478	RY(21)C22	946	0.000001088	8.325762685 Hartree
479	RY(1)C23	947	0.005027402	1.407117744 Hartree
480	RY(2)C23	948	0.002973053	1.248050616 Hartree
481	RY(3)C23	949	0.001456800	0.881040547 Hartree
482	RY(4)C23	950	0.000663228	2.966974387 Hartree
483	RY(5)C23	951	0.000615378	2.060303779 Hartree
484	RY(6)C23	952	0.000398128	3.965619875 Hartree
485	RY(7)C23	953	0.000252409	3.428083717 Hartree
486	RY(8)C23	954	0.000217942	1.937915641 Hartree
487	RY(9)C23	955	0.000177162	1.553546519 Hartree
488	RY(10)C23	956	0.000115229	6.705224470 Hartree
489	RY(11)C23	957	0.000075014	2.633413220 Hartree
490	RY(12)C23	958	0.000057530	2.373908821 Hartree
491	RY(13)C23	959	0.000030308	3.217484414 Hartree
492	RY(14)C23	960	0.000019602	3.054084855 Hartree
493	RY(15)C23	961	0.000015419	3.411045491 Hartree
494	RY(16)C23	962	0.000011689	3.197229445 Hartree
495	RY(17)C23	963	0.000007359	2.314667381 Hartree
496	RY(18)C23	964	0.000004922	1.821592589 Hartree
497	RY(19)C23	965	0.000003168	4.276146789 Hartree
498	RY(20)C23	966	0.000002414	3.184448051 Hartree
499	RY(21)C23	967	0.000001207	6.683395921 Hartree
500	RY(22)C23	968	0.000000696	4.775572923 Hartree
501	RY(1)C24	969	0.005562757	1.438161487 Hartree
502	RY(2)C24	970	0.002010926	1.011478068 Hartree
503	RY(3)C24	971	0.000990988	0.558350672 Hartree
504	RY(4)C24	972	0.000526770	2.139708857 Hartree
505	RY(5)C24	973	0.000426358	2.616505808 Hartree
506	RY(6)C24	974	0.000311173	2.807981498 Hartree
507	RY(7)C24	975	0.000175789	1.723576244 Hartree
508	RY(8)C24	976	0.000143616	2.231334183 Hartree
509	RY(9)C24	977	0.000074853	2.481059535 Hartree
510	RY(10)C24	978	0.000055415	1.079532553 Hartree
511	RY(11)C24	979	0.000039439	1.532301866 Hartree
512	RY(12)C24	980	0.000028121	2.003310231 Hartree
513	RY(13)C24	981	0.000014026	3.389543925 Hartree
514	RY(14)C24	982	0.000011198	1.403339207 Hartree
515	RY(15)C24	983	0.000005156	2.337235736 Hartree
516	RY(16)C24	984	0.000003339	4.289097262 Hartree
517	RY(17)C24	985	0.000001189	13.258531140 Hartree
518	RY(18)C24	986	0.000001044	3.915010955 Hartree
519	RY(19)C24	987	0.000000657	5.206841858 Hartree
520	RY(20)C24	988	0.000000120	3.516126790 Hartree
521	RY(21)C24	989	0.000000095	3.522140924 Hartree
522	RY(1)C25	990	0.006000378	1.240550298 Hartree
523	RY(2)C25	991	0.001939648	1.404041851 Hartree
524	RY(3)C25	992	0.001411209	0.915807736 Hartree
525	RY(4)C25	993	0.000565594	2.415095421 Hartree
526	RY(5)C25	994	0.000429428	3.402177589 Hartree
527	RY(6)C25	995	0.000368510	2.890504172 Hartree
528	RY(7)C25	996	0.000205115	1.928576667 Hartree
529	RY(8)C25	997	0.000169700	2.589206464 Hartree
530	RY(9)C25	998	0.000150751	3.222143548 Hartree
531	RY(10)C25	999	0.000067455	2.148706444 Hartree
532	RY(11)C25	1000	0.000043285	2.651203638 Hartree
533	RY(12)C25	1001	0.000033038	1.439127158 Hartree
534	RY(13)C25	1002	0.000019626	2.096298880 Hartree
535	RY(14)C25	1003	0.000010257	3.835321076 Hartree
536	RY(15)C25	1004	0.000008871	3.053977524 Hartree
537	RY(16)C25	1005	0.000005640	6.062814755 Hartree
538	RY(17)C25	1006	0.000004421	2.004153446 Hartree
539	RY(18)C25	1007	0.000000830	11.330436743 Hartree
540	RY(19)C25	1008	0.000001191	2.605426315 Hartree
541	RY(20)C25	1009	0.000001711	3.875508645 Hartree
542	RY(21)C25	1010	0.000000060	2.800876634 Hartree
543	RY(22)C25	1011	0.000000242	2.330673205 Hartree
544	RY(1)C26	1012	0.005525319	1.497375687 Hartree
545	RY(2)C26	1013	0.002300272	0.909828999 Hartree
546	RY(3)C26	1014	0.001060910	0.505512401 Hartree
547	RY(4)C26	1015	0.000550997	2.269321843 Hartree
548	RY(5)C26	1016	0.000473932	2.536113334 Hartree
549	RY(6)C26	1017	0.000316817	2.944565637 Hartree
550	RY(7)C26	1018	0.000183888	1.351650953 Hartree
551	RY(8)C26	1019	0.000144099	2.012557401 Hartree
552	RY(9)C26	1020	0.000109095	2.524872819 Hartree
553	RY(10)C26	1021	0.000064167	0.981956341 Hartree
554	RY(11)C26	1022	0.000035882	1.149568224 Hartree
555	RY(12)C26	1023	0.000021640	2.463595889 Hartree
556	RY(13)C26	1024	0.000018842	2.960946781 Hartree
557	RY(14)C26	1025	0.000011745	2.077800165 Hartree
558	RY(15)C26	1026	0.000006171	1.228599496 Hartree
559	RY(16)C26	1027	0.000004029	3.244789557 Hartree
560	RY(17)C26	1028	0.000000238	3.160754879 Hartree
561	RY(18)C26	1029	0.000000981	5.570449779 Hartree
562	RY(19)C26	1030	0.000001980	9.882786279 Hartree
563	RY(20)C26	1031	0.000000395	9.884108614 Hartree
564	RY(21)C26	1032	0.000000047	3.440391096 Hartree
565	RY(1)C27	1033	0.004459835	1.427009841 Hartree
566	RY(2)C27	1034	0.002852243	1.331716241 Hartree
567	RY(3)C27	1035	0.001447737	0.940634912 Hartree
568	RY(4)C27	1036	0.000738425	2.961064568 Hartree
569	RY(5)C27	1037	0.000689880	2.033531451 Hartree
570	RY(6)C27	1038	0.000414824	4.009927298 Hartree
571	RY(7)C27	1039	0.000296396	2.671071869 Hartree
572	RY(8)C27	1040	0.000189182	4.641978158 Hartree
573	RY(9)C27	1041	0.000156125	3.730266152 Hartree
574	RY(10)C27	1042	0.000108845	2.927006308 Hartree
575	RY(11)C27	1043	0.000078200	2.902481428 Hartree
576	RY(12)C27	1044	0.000053140	2.183947879 Hartree
577	RY(13)C27	1045	0.000040398	2.767432278 Hartree
578	RY(14)C27	1046	0.000031607	2.771312254 Hartree
579	RY(15)C27	1047	0.000015363	1.730479179 Hartree
580	RY(16)C27	1048	0.000015712	3.731666616 Hartree
581	RY(17)C27	1049	0.000012882	3.050026243 Hartree
582	RY(18)C27	1050	0.000008869	3.392173398 Hartree
583	RY(19)C27	1051	0.000003659	4.548694365 Hartree
584	RY(20)C27	1052	0.000003058	3.022619148 Hartree
585	RY(21)C27	1053	0.000001809	4.645713154 Hartree
586	RY(22)C27	1054	0.000000161	2.951814020 Hartree
587	RY(1)C28	1055	0.002745576	0.780597778 Hartree
588	RY(2)C28	1056	0.001055924	0.967399912 Hartree
589	RY(3)C28	1057	0.000582128	1.134734490 Hartree
590	RY(4)C28	1058	0.000273599	2.182202469 Hartree
591	RY(5)C28	1059	0.000162701	1.408025372 Hartree
592	RY(6)C28	1060	0.000091959	2.829445181 Hartree
593	RY(7)C28	1061	0.000073197	4.758446341 Hartree
594	RY(8)C28	1062	0.000056553	1.234401136 Hartree
595	RY(9)C28	1063	0.000040347	1.285198746 Hartree
596	RY(10)C28	1064	0.000027682	2.841718311 Hartree
597	RY(11)C28	1065	0.000013393	1.755331895 Hartree
598	RY(12)C28	1066	0.000009110	2.504688621 Hartree
599	RY(13)C28	1067	0.000007097	3.165214300 Hartree
600	RY(14)C28	1068	0.000004477	2.484954210 Hartree
601	RY(15)C28	1069	0.000002740	5.100393503 Hartree
602	RY(16)C28	1070	0.000002327	3.714376354 Hartree
603	RY(17)C28	1071	0.000000779	3.655080796 Hartree
604	RY(18)C28	1072	0.000001724	4.635584079 Hartree
605	RY(19)C28	1073	0.000000580	3.477443109 Hartree
606	RY(20)C28	1074	0.000000043	3.324214284 Hartree
607	RY(21)C28	1075	0.000000340	4.340667659 Hartree
608	RY(22)C28	1076	0.000000209	3.942578905 Hartree
609	RY(1)H29	1077	0.000961223	0.596847591 Hartree
610	RY(2)H29	1078	0.000088600	2.212322374 Hartree
611	RY(3)H29	1079	0.000067165	2.048171655 Hartree
612	RY(4)H29	1080	0.000040592	2.220189065 Hartree
613	RY(5)H29	1081	0.000025960	2.415382636 Hartree
614	RY(1)H30	1082	0.000853934	0.631394620 Hartree
615	RY(2)H30	1083	0.000089492	2.275576091 Hartree
616	RY(3)H30	1084	0.000053529	1.922828332 Hartree
617	RY(4)H30	1085	0.000039323	2.263868399 Hartree
618	RY(5)H30	1086	0.000020493	2.254637747 Hartree
619	RY(1)H31	1087	0.000881444	0.551933106 Hartree
620	RY(2)H31	1088	0.000090545	2.185881295 Hartree
621	RY(3)H31	1089	0.000070274	2.005884812 Hartree
622	RY(4)H31	1090	0.000035788	2.049796840 Hartree
623	RY(5)H31	1091	0.000029253	2.663768787 Hartree
624	RY(1)H32	1092	0.001359631	1.064273358 Hartree
625	RY(2)H32	1093	0.000281517	2.697336224 Hartree
626	RY(3)H32	1094	0.000175631	1.824118545 Hartree
627	RY(4)H32	1095	0.000034626	2.266933031 Hartree
628	RY(5)H32	1096	0.000026664	2.283949843 Hartree
629	RY(1)C33	1097	0.003153504	0.675532570 Hartree
630	RY(2)C33	1098	0.000969130	0.920094860 Hartree
631	RY(3)C33	1099	0.000407329	1.529459686 Hartree
632	RY(4)C33	1100	0.000143985	1.819533779 Hartree
633	RY(5)C33	1101	0.000130527	1.819013583 Hartree
634	RY(6)C33	1102	0.000049177	3.033328777 Hartree
635	RY(7)C33	1103	0.000046422	1.340817563 Hartree
636	RY(8)C33	1104	0.000040257	1.159796500 Hartree
637	RY(9)C33	1105	0.000020705	1.515893640 Hartree
638	RY(10)C33	1106	0.000010713	1.672475333 Hartree
639	RY(11)C33	1107	0.000004870	1.827682820 Hartree
640	RY(12)C33	1108	0.000002296	1.973134243 Hartree
641	RY(13)C33	1109	0.000000992	1.453698152 Hartree
642	RY(14)C33	1110	0.000000037	3.350977027 Hartree
643	RY(15)C33	1111	0.000000591	9.491541616 Hartree
644	RY(16)C33	1112	0.000001537	4.646878999 Hartree
645	RY(17)C33	1113	0.000000021	3.140015695 Hartree
646	RY(18)C33	1114	0.000000017	3.385241619 Hartree
647	RY(19)C33	1115	0.000000281	5.103174603 Hartree
648	RY(20)C33	1116	0.000000127	7.702908296 Hartree
649	RY(21)C33	1117	0.000000405	1.970979825 Hartree
650	RY(22)C33	1118	0.000000002	3.479801558 Hartree
651	RY(1)H34	1119	0.000730663	0.520218704 Hartree
652	RY(2)H34	1120	0.000098030	1.984672744 Hartree
653	RY(3)H34	1121	0.000053525	1.948971321 Hartree
654	RY(4)H34	1122	0.000041863	2.725385303 Hartree
655	RY(5)H34	1123	0.000023573	2.111015320 Hartree
656	RY(1)H35	1124	0.000797451	0.544214584 Hartree
657	RY(2)H35	1125	0.000105990	2.003531202 Hartree
658	RY(3)H35	1126	0.000051762	2.069866799 Hartree
659	RY(4)H35	1127	0.000046349	2.446951686 Hartree
660	RY(5)H35	1128	0.000010603	2.251570943 Hartree
661	RY(1)H36	1129	0.000669367	0.563214512 Hartree
662	RY(2)H36	1130	0.000071607	2.133164654 Hartree
663	RY(3)H36	1131	0.000045438	1.923094738 Hartree
664	RY(4)H36	1132	0.000033597	2.465087187 Hartree
665	RY(5)H36	1133	0.000020582	2.120549570 Hartree
666	RY(1)H37	1134	0.001183702	1.116919171 Hartree
667	RY(2)H37	1135	0.000276344	2.691050458 Hartree
668	RY(3)H37	1136	0.000168007	1.834795770 Hartree
669	RY(4)H37	1137	0.000040512	2.241093539 Hartree
670	RY(5)H37	1138	0.000031026	2.265334485 Hartree
671	RY(1)C38	1139	0.002921960	0.783615325 Hartree
672	RY(2)C38	1140	0.000906734	0.909939969 Hartree
673	RY(3)C38	1141	0.000625545	1.065070369 Hartree
674	RY(4)C38	1142	0.000257846	2.048820910 Hartree
675	RY(5)C38	1143	0.000156473	1.614062517 Hartree
676	RY(6)C38	1144	0.000102262	1.735644329 Hartree
677	RY(7)C38	1145	0.000069745	2.812968583 Hartree
678	RY(8)C38	1146	0.000042718	1.800848663 Hartree
679	RY(9)C38	1147	0.000030182	1.703404422 Hartree
680	RY(10)C38	1148	0.000020519	3.054046413 Hartree
681	RY(11)C38	1149	0.000012240	1.832588826 Hartree
682	RY(12)C38	1150	0.000005905	5.079248302 Hartree
683	RY(13)C38	1151	0.000003700	2.713774697 Hartree
684	RY(14)C38	1152	0.000003476	1.903082067 Hartree
685	RY(15)C38	1153	0.000002177	1.867646905 Hartree
686	RY(16)C38	1154	0.000001345	2.306621489 Hartree
687	RY(17)C38	1155	0.000001920	8.735110492 Hartree
688	RY(18)C38	1156	0.000000246	3.804318205 Hartree
689	RY(19)C38	1157	0.000000059	3.832133764 Hartree
690	RY(20)C38	1158	0.000000360	5.977027122 Hartree
691	RY(21)C38	1159	0.000000205	3.227114346 Hartree
692	RY(22)C38	1160	0.000000017	3.330199660 Hartree
693	RY(1)H39	1161	0.000942956	0.628115795 Hartree
694	RY(2)H39	1162	0.000096665	2.233171931 Hartree
695	RY(3)H39	1163	0.000077562	1.986749112 Hartree
696	RY(4)H39	1164	0.000034513	2.502679824 Hartree
697	RY(5)H39	1165	0.000022760	2.145560060 Hartree
698	RY(1)H40	1166	0.000893814	0.549531354 Hartree
699	RY(2)H40	1167	0.000097920	2.195620636 Hartree
700	RY(3)H40	1168	0.000070402	1.996982995 Hartree
701	RY(4)H40	1169	0.000033585	2.327467993 Hartree
702	RY(5)H40	1170	0.000025574	2.416519894 Hartree
703	RY(1)H41	1171	0.000813007	0.610807475 Hartree
704	RY(2)H41	1172	0.000082974	2.312374288 Hartree
705	RY(3)H41	1173	0.000042905	1.975075647 Hartree
706	RY(4)H41	1174	0.000036772	2.248527519 Hartree
707	RY(5)H41	1175	0.000018171	2.204821645 Hartree
708	RY(1)H42	1176	0.003108752	0.602534632 Hartree
709	RY(2)H42	1177	0.000184011	2.701766499 Hartree
710	RY(3)H42	1178	0.000120833	1.860644662 Hartree
711	RY(4)H42	1179	0.000067889	2.259755798 Hartree
712	RY(5)H42	1180	0.000041144	2.261677008 Hartree
713	RY(1)H43	1181	0.003112733	0.602531275 Hartree
714	RY(2)H43	1182	0.000184076	2.701967999 Hartree
715	RY(3)H43	1183	0.000121091	1.860550820 Hartree
716	RY(4)H43	1184	0.000067975	2.260200632 Hartree
717	RY(5)H43	1185	0.000041157	2.261633385 Hartree
718	RY(1)H44	1186	0.000944246	0.628718664 Hartree
719	RY(2)H44	1187	0.000096645	2.233693862 Hartree
720	RY(3)H44	1188	0.000077673	1.986417021 Hartree
721	RY(4)H44	1189	0.000034529	2.501592178 Hartree
722	RY(5)H44	1190	0.000022828	2.146240759 Hartree
723	RY(1)H45	1191	0.000891646	0.549898613 Hartree
724	RY(2)H45	1192	0.000097809	2.194084785 Hartree
725	RY(3)H45	1193	0.000070303	1.997314791 Hartree
726	RY(4)H45	1194	0.000033577	2.327761172 Hartree
727	RY(5)H45	1195	0.000025452	2.416681496 Hartree
728	RY(1)H46	1196	0.000811686	0.610719311 Hartree
729	RY(2)H46	1197	0.000083083	2.310671034 Hartree
730	RY(3)H46	1198	0.000042917	1.974999069 Hartree
731	RY(4)H46	1199	0.000036798	2.252617358 Hartree
732	RY(5)H46	1200	0.000018166	2.202885073 Hartree
733		1200		********** Hartree
734		1200		********** Hartree
735		1200		********** Hartree
736		1200		********** Hartree
737		1200		********** Hartree
738		1200		********** Hartree

Quote

ARTHROPOD AXIOM: A COMPUTER SYSTEM IS LIKE A SPIDER'S WEB. YOU CANNOT PULL ON ONE END WITHOUT MAKING THE OTHER END MOVE. -- GREG WETTSTEIN