WebMO Job Summary

Overview

Quantity	Value
Route	#N B3LYP/6-31G(d) SP GFINPUT POP=(FULL,NBORead) Geom=Connectivity
Stoichiometry	C₄₃H₃₀O
Symmetry	C1
Basis	6-31G(d)
RB3LYP Energy	-1731.81693691 Hartree
Dipole Moment	2.8855 Debye
Server	default (2770054)
CPU time	3271.2 sec

Rotational Constants

Constant	Frequency (GHz)	Frequency (cm^-1)
a	0.0957687	0.00319449998
b	0.0818085	0.00272883783
c	0.0621602	0.00207344109

Molecular Orbitals

Display Range		- / 720
Orbital	Symmetry	Occupancy	Energy	Actions
1	-	2	-19.15577 Hartree
2	-	2	-10.28569 Hartree
3	-	2	-10.22313 Hartree
4	-	2	-10.22059 Hartree
5	-	2	-10.20621 Hartree
6	-	2	-10.20549 Hartree
7	-	2	-10.20534 Hartree
8	-	2	-10.20469 Hartree
9	-	2	-10.20403 Hartree
10	-	2	-10.20164 Hartree
11	-	2	-10.20132 Hartree
12	-	2	-10.20012 Hartree
13	-	2	-10.19427 Hartree
14	-	2	-10.19349 Hartree
15	-	2	-10.19278 Hartree
16	-	2	-10.19239 Hartree
17	-	2	-10.19235 Hartree
18	-	2	-10.19222 Hartree
19	-	2	-10.19096 Hartree
20	-	2	-10.19059 Hartree
21	-	2	-10.19024 Hartree
22	-	2	-10.18987 Hartree
23	-	2	-10.18967 Hartree
24	-	2	-10.18962 Hartree
25	-	2	-10.18919 Hartree
26	-	2	-10.18891 Hartree
27	-	2	-10.18888 Hartree
28	-	2	-10.18882 Hartree
29	-	2	-10.18843 Hartree
30	-	2	-10.18822 Hartree
31	-	2	-10.18821 Hartree
32	-	2	-10.18817 Hartree
33	-	2	-10.18759 Hartree
34	-	2	-10.18716 Hartree
35	-	2	-10.18426 Hartree
36	-	2	-10.18303 Hartree
37	-	2	-10.18259 Hartree
38	-	2	-10.18214 Hartree
39	-	2	-10.18078 Hartree
40	-	2	-10.17998 Hartree
41	-	2	-10.17980 Hartree
42	-	2	-10.17896 Hartree
43	-	2	-10.17893 Hartree
44	-	2	-10.17812 Hartree
45	-	2	-1.05956 Hartree
46	-	2	-0.90870 Hartree
47	-	2	-0.86140 Hartree
48	-	2	-0.85615 Hartree
49	-	2	-0.85287 Hartree
50	-	2	-0.85016 Hartree
51	-	2	-0.84634 Hartree
52	-	2	-0.84096 Hartree
53	-	2	-0.79753 Hartree
54	-	2	-0.78336 Hartree
55	-	2	-0.76322 Hartree
56	-	2	-0.75493 Hartree
57	-	2	-0.74726 Hartree
58	-	2	-0.74585 Hartree
59	-	2	-0.74429 Hartree
60	-	2	-0.74271 Hartree
61	-	2	-0.74200 Hartree
62	-	2	-0.74055 Hartree
63	-	2	-0.73567 Hartree
64	-	2	-0.73340 Hartree
65	-	2	-0.71281 Hartree
66	-	2	-0.69073 Hartree
67	-	2	-0.66608 Hartree
68	-	2	-0.62891 Hartree
69	-	2	-0.61447 Hartree
70	-	2	-0.61227 Hartree
71	-	2	-0.60673 Hartree
72	-	2	-0.60352 Hartree
73	-	2	-0.60174 Hartree
74	-	2	-0.60059 Hartree
75	-	2	-0.59662 Hartree
76	-	2	-0.59506 Hartree
77	-	2	-0.59312 Hartree
78	-	2	-0.58030 Hartree
79	-	2	-0.57566 Hartree
80	-	2	-0.54724 Hartree
81	-	2	-0.53562 Hartree
82	-	2	-0.53250 Hartree
83	-	2	-0.52278 Hartree
84	-	2	-0.52036 Hartree
85	-	2	-0.50402 Hartree
86	-	2	-0.49456 Hartree
87	-	2	-0.49211 Hartree
88	-	2	-0.48432 Hartree
89	-	2	-0.47856 Hartree
90	-	2	-0.47706 Hartree
91	-	2	-0.46063 Hartree
92	-	2	-0.45708 Hartree
93	-	2	-0.45411 Hartree
94	-	2	-0.45286 Hartree
95	-	2	-0.44966 Hartree
96	-	2	-0.44878 Hartree
97	-	2	-0.44709 Hartree
98	-	2	-0.44421 Hartree
99	-	2	-0.44010 Hartree
100	-	2	-0.43648 Hartree
101	-	2	-0.43084 Hartree
102	-	2	-0.42925 Hartree
103	-	2	-0.42320 Hartree
104	-	2	-0.42020 Hartree
105	-	2	-0.42001 Hartree
106	-	2	-0.41826 Hartree
107	-	2	-0.41655 Hartree
108	-	2	-0.41548 Hartree
109	-	2	-0.41448 Hartree
110	-	2	-0.40796 Hartree
111	-	2	-0.40195 Hartree
112	-	2	-0.39939 Hartree
113	-	2	-0.39540 Hartree
114	-	2	-0.38373 Hartree
115	-	2	-0.38060 Hartree
116	-	2	-0.37089 Hartree
117	-	2	-0.36652 Hartree
118	-	2	-0.36210 Hartree
119	-	2	-0.35829 Hartree
120	-	2	-0.35646 Hartree
121	-	2	-0.35385 Hartree
122	-	2	-0.35209 Hartree
123	-	2	-0.34907 Hartree
124	-	2	-0.34735 Hartree
125	-	2	-0.34627 Hartree
126	-	2	-0.34413 Hartree
127	-	2	-0.34263 Hartree
128	-	2	-0.33834 Hartree
129	-	2	-0.33801 Hartree
130	-	2	-0.33368 Hartree
131	-	2	-0.33261 Hartree
132	-	2	-0.33027 Hartree
133	-	2	-0.32216 Hartree
134	-	2	-0.28936 Hartree
135	-	2	-0.27070 Hartree
136	-	2	-0.26395 Hartree
137	-	2	-0.25531 Hartree
138	-	2	-0.25272 Hartree
139	-	2	-0.25162 Hartree
140	-	2	-0.24952 Hartree
141	-	2	-0.24759 Hartree
142	-	2	-0.24425 Hartree
143	-	2	-0.24068 Hartree
144	-	2	-0.23695 Hartree
145	-	2	-0.23448 Hartree
146	-	2	-0.22889 Hartree
147	-	2	-0.22473 Hartree
148	-	2	-0.20975 Hartree
149	-	0	-0.04009 Hartree
150	-	0	-0.02809 Hartree
151	-	0	-0.00984 Hartree
152	-	0	-0.00747 Hartree
153	-	0	-0.00512 Hartree
154	-	0	-0.00266 Hartree
155	-	0	-0.00118 Hartree
156	-	0	0.00136 Hartree
157	-	0	0.00465 Hartree
158	-	0	0.00726 Hartree
159	-	0	0.01072 Hartree
160	-	0	0.01473 Hartree
161	-	0	0.01544 Hartree
162	-	0	0.02787 Hartree
163	-	0	0.05760 Hartree
164	-	0	0.08040 Hartree
165	-	0	0.09305 Hartree
166	-	0	0.09963 Hartree
167	-	0	0.10277 Hartree
168	-	0	0.10462 Hartree
169	-	0	0.10710 Hartree
170	-	0	0.12883 Hartree
171	-	0	0.13250 Hartree
172	-	0	0.13668 Hartree
173	-	0	0.14045 Hartree
174	-	0	0.14635 Hartree
175	-	0	0.14831 Hartree
176	-	0	0.15037 Hartree
177	-	0	0.15200 Hartree
178	-	0	0.15390 Hartree
179	-	0	0.15541 Hartree
180	-	0	0.15678 Hartree
181	-	0	0.15882 Hartree
182	-	0	0.16261 Hartree
183	-	0	0.16604 Hartree
184	-	0	0.16691 Hartree
185	-	0	0.16795 Hartree
186	-	0	0.17055 Hartree
187	-	0	0.17266 Hartree
188	-	0	0.17766 Hartree
189	-	0	0.18020 Hartree
190	-	0	0.18208 Hartree
191	-	0	0.18347 Hartree
192	-	0	0.18499 Hartree
193	-	0	0.18776 Hartree
194	-	0	0.19191 Hartree
195	-	0	0.19501 Hartree
196	-	0	0.19932 Hartree
197	-	0	0.20114 Hartree
198	-	0	0.20279 Hartree
199	-	0	0.20784 Hartree
200	-	0	0.21792 Hartree
201	-	0	0.22623 Hartree
202	-	0	0.23595 Hartree
203	-	0	0.23906 Hartree
204	-	0	0.24922 Hartree
205	-	0	0.25234 Hartree
206	-	0	0.26186 Hartree
207	-	0	0.26895 Hartree
208	-	0	0.27653 Hartree
209	-	0	0.28161 Hartree
210	-	0	0.29422 Hartree
211	-	0	0.29907 Hartree
212	-	0	0.30138 Hartree
213	-	0	0.30322 Hartree
214	-	0	0.30551 Hartree
215	-	0	0.30645 Hartree
216	-	0	0.30924 Hartree
217	-	0	0.31012 Hartree
218	-	0	0.31255 Hartree
219	-	0	0.31430 Hartree
220	-	0	0.31454 Hartree
221	-	0	0.31618 Hartree
222	-	0	0.31985 Hartree
223	-	0	0.32515 Hartree
224	-	0	0.33270 Hartree
225	-	0	0.33614 Hartree
226	-	0	0.33737 Hartree
227	-	0	0.34431 Hartree
228	-	0	0.34798 Hartree
229	-	0	0.35959 Hartree
230	-	0	0.36487 Hartree
231	-	0	0.36908 Hartree
232	-	0	0.37328 Hartree
233	-	0	0.38378 Hartree
234	-	0	0.39193 Hartree
235	-	0	0.40479 Hartree
236	-	0	0.41229 Hartree
237	-	0	0.43676 Hartree
238	-	0	0.44774 Hartree
239	-	0	0.46110 Hartree
240	-	0	0.46277 Hartree
241	-	0	0.47111 Hartree
242	-	0	0.47785 Hartree
243	-	0	0.48040 Hartree
244	-	0	0.48898 Hartree
245	-	0	0.49580 Hartree
246	-	0	0.49629 Hartree
247	-	0	0.50025 Hartree
248	-	0	0.50625 Hartree
249	-	0	0.51113 Hartree
250	-	0	0.51614 Hartree
251	-	0	0.52269 Hartree
252	-	0	0.52543 Hartree
253	-	0	0.52855 Hartree
254	-	0	0.53133 Hartree
255	-	0	0.53444 Hartree
256	-	0	0.53818 Hartree
257	-	0	0.54285 Hartree
258	-	0	0.54704 Hartree
259	-	0	0.54810 Hartree
260	-	0	0.54993 Hartree
261	-	0	0.55921 Hartree
262	-	0	0.56104 Hartree
263	-	0	0.56306 Hartree
264	-	0	0.56612 Hartree
265	-	0	0.56818 Hartree
266	-	0	0.57188 Hartree
267	-	0	0.57392 Hartree
268	-	0	0.57545 Hartree
269	-	0	0.58063 Hartree
270	-	0	0.58355 Hartree
271	-	0	0.58466 Hartree
272	-	0	0.58789 Hartree
273	-	0	0.58872 Hartree
274	-	0	0.58903 Hartree
275	-	0	0.59364 Hartree
276	-	0	0.59484 Hartree
277	-	0	0.59597 Hartree
278	-	0	0.59770 Hartree
279	-	0	0.59822 Hartree
280	-	0	0.60273 Hartree
281	-	0	0.60461 Hartree
282	-	0	0.60537 Hartree
283	-	0	0.60678 Hartree
284	-	0	0.60842 Hartree
285	-	0	0.60930 Hartree
286	-	0	0.61078 Hartree
287	-	0	0.61215 Hartree
288	-	0	0.61263 Hartree
289	-	0	0.61429 Hartree
290	-	0	0.61593 Hartree
291	-	0	0.61825 Hartree
292	-	0	0.61895 Hartree
293	-	0	0.62019 Hartree
294	-	0	0.62145 Hartree
295	-	0	0.62517 Hartree
296	-	0	0.62891 Hartree
297	-	0	0.62993 Hartree
298	-	0	0.63275 Hartree
299	-	0	0.63382 Hartree
300	-	0	0.63567 Hartree
301	-	0	0.63926 Hartree
302	-	0	0.64195 Hartree
303	-	0	0.64363 Hartree
304	-	0	0.65034 Hartree
305	-	0	0.65443 Hartree
306	-	0	0.65648 Hartree
307	-	0	0.66325 Hartree
308	-	0	0.66750 Hartree
309	-	0	0.67300 Hartree
310	-	0	0.67613 Hartree
311	-	0	0.67926 Hartree
312	-	0	0.68168 Hartree
313	-	0	0.69129 Hartree
314	-	0	0.69947 Hartree
315	-	0	0.70108 Hartree
316	-	0	0.70236 Hartree
317	-	0	0.70531 Hartree
318	-	0	0.70908 Hartree
319	-	0	0.72266 Hartree
320	-	0	0.73258 Hartree
321	-	0	0.73812 Hartree
322	-	0	0.74371 Hartree
323	-	0	0.75661 Hartree
324	-	0	0.76336 Hartree
325	-	0	0.76906 Hartree
326	-	0	0.78063 Hartree
327	-	0	0.78173 Hartree
328	-	0	0.78955 Hartree
329	-	0	0.80646 Hartree
330	-	0	0.81214 Hartree
331	-	0	0.81987 Hartree
332	-	0	0.82424 Hartree
333	-	0	0.83208 Hartree
334	-	0	0.83394 Hartree
335	-	0	0.83882 Hartree
336	-	0	0.84014 Hartree
337	-	0	0.84114 Hartree
338	-	0	0.84253 Hartree
339	-	0	0.84600 Hartree
340	-	0	0.84644 Hartree
341	-	0	0.84740 Hartree
342	-	0	0.84897 Hartree
343	-	0	0.85157 Hartree
344	-	0	0.85381 Hartree
345	-	0	0.85412 Hartree
346	-	0	0.85534 Hartree
347	-	0	0.85848 Hartree
348	-	0	0.86341 Hartree
349	-	0	0.86746 Hartree
350	-	0	0.87205 Hartree
351	-	0	0.87614 Hartree
352	-	0	0.88460 Hartree
353	-	0	0.89102 Hartree
354	-	0	0.89573 Hartree
355	-	0	0.89977 Hartree
356	-	0	0.90082 Hartree
357	-	0	0.90396 Hartree
358	-	0	0.90532 Hartree
359	-	0	0.90898 Hartree
360	-	0	0.91197 Hartree
361	-	0	0.91413 Hartree
362	-	0	0.91860 Hartree
363	-	0	0.92454 Hartree
364	-	0	0.92719 Hartree
365	-	0	0.93222 Hartree
366	-	0	0.93626 Hartree
367	-	0	0.94045 Hartree
368	-	0	0.94359 Hartree
369	-	0	0.94817 Hartree
370	-	0	0.95501 Hartree
371	-	0	0.95804 Hartree
372	-	0	0.95901 Hartree
373	-	0	0.96468 Hartree
374	-	0	0.96786 Hartree
375	-	0	0.96996 Hartree
376	-	0	0.97145 Hartree
377	-	0	0.98068 Hartree
378	-	0	0.98690 Hartree
379	-	0	0.99157 Hartree
380	-	0	0.99671 Hartree
381	-	0	1.00132 Hartree
382	-	0	1.00861 Hartree
383	-	0	1.01923 Hartree
384	-	0	1.02227 Hartree
385	-	0	1.02433 Hartree
386	-	0	1.03068 Hartree
387	-	0	1.04065 Hartree
388	-	0	1.04478 Hartree
389	-	0	1.04917 Hartree
390	-	0	1.04994 Hartree
391	-	0	1.06017 Hartree
392	-	0	1.07467 Hartree
393	-	0	1.08190 Hartree
394	-	0	1.08591 Hartree
395	-	0	1.08743 Hartree
396	-	0	1.09968 Hartree
397	-	0	1.11069 Hartree
398	-	0	1.11211 Hartree
399	-	0	1.13126 Hartree
400	-	0	1.13158 Hartree
401	-	0	1.13304 Hartree
402	-	0	1.13973 Hartree
403	-	0	1.14652 Hartree
404	-	0	1.15027 Hartree
405	-	0	1.15515 Hartree
406	-	0	1.15649 Hartree
407	-	0	1.16358 Hartree
408	-	0	1.16978 Hartree
409	-	0	1.17950 Hartree
410	-	0	1.18118 Hartree
411	-	0	1.18486 Hartree
412	-	0	1.18907 Hartree
413	-	0	1.19852 Hartree
414	-	0	1.20814 Hartree
415	-	0	1.21368 Hartree
416	-	0	1.21757 Hartree
417	-	0	1.22309 Hartree
418	-	0	1.22642 Hartree
419	-	0	1.23184 Hartree
420	-	0	1.24142 Hartree
421	-	0	1.25021 Hartree
422	-	0	1.25942 Hartree
423	-	0	1.26308 Hartree
424	-	0	1.26565 Hartree
425	-	0	1.27239 Hartree
426	-	0	1.27817 Hartree
427	-	0	1.28110 Hartree
428	-	0	1.28843 Hartree
429	-	0	1.29730 Hartree
430	-	0	1.30221 Hartree
431	-	0	1.31368 Hartree
432	-	0	1.31481 Hartree
433	-	0	1.32618 Hartree
434	-	0	1.32877 Hartree
435	-	0	1.33752 Hartree
436	-	0	1.34682 Hartree
437	-	0	1.37313 Hartree
438	-	0	1.38721 Hartree
439	-	0	1.41348 Hartree
440	-	0	1.41499 Hartree
441	-	0	1.42447 Hartree
442	-	0	1.42649 Hartree
443	-	0	1.43277 Hartree
444	-	0	1.43730 Hartree
445	-	0	1.44194 Hartree
446	-	0	1.44758 Hartree
447	-	0	1.44982 Hartree
448	-	0	1.45485 Hartree
449	-	0	1.45937 Hartree
450	-	0	1.46094 Hartree
451	-	0	1.46500 Hartree
452	-	0	1.47104 Hartree
453	-	0	1.47415 Hartree
454	-	0	1.47916 Hartree
455	-	0	1.48310 Hartree
456	-	0	1.48550 Hartree
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458	-	0	1.48818 Hartree
459	-	0	1.49155 Hartree
460	-	0	1.49301 Hartree
461	-	0	1.49802 Hartree
462	-	0	1.49900 Hartree
463	-	0	1.49934 Hartree
464	-	0	1.50237 Hartree
465	-	0	1.50633 Hartree
466	-	0	1.50698 Hartree
467	-	0	1.51039 Hartree
468	-	0	1.51439 Hartree
469	-	0	1.51513 Hartree
470	-	0	1.51739 Hartree
471	-	0	1.51847 Hartree
472	-	0	1.52186 Hartree
473	-	0	1.52644 Hartree
474	-	0	1.52737 Hartree
475	-	0	1.53056 Hartree
476	-	0	1.54293 Hartree
477	-	0	1.55214 Hartree
478	-	0	1.55814 Hartree
479	-	0	1.59771 Hartree
480	-	0	1.61524 Hartree
481	-	0	1.64870 Hartree
482	-	0	1.66123 Hartree
483	-	0	1.67600 Hartree
484	-	0	1.68954 Hartree
485	-	0	1.69768 Hartree
486	-	0	1.71006 Hartree
487	-	0	1.73963 Hartree
488	-	0	1.75682 Hartree
489	-	0	1.76110 Hartree
490	-	0	1.78449 Hartree
491	-	0	1.78898 Hartree
492	-	0	1.79420 Hartree
493	-	0	1.79828 Hartree
494	-	0	1.80715 Hartree
495	-	0	1.80997 Hartree
496	-	0	1.81879 Hartree
497	-	0	1.82093 Hartree
498	-	0	1.82458 Hartree
499	-	0	1.82661 Hartree
500	-	0	1.83318 Hartree
501	-	0	1.83557 Hartree
502	-	0	1.84533 Hartree
503	-	0	1.84752 Hartree
504	-	0	1.85347 Hartree
505	-	0	1.86078 Hartree
506	-	0	1.86895 Hartree
507	-	0	1.87093 Hartree
508	-	0	1.87850 Hartree
509	-	0	1.88649 Hartree
510	-	0	1.89111 Hartree
511	-	0	1.89405 Hartree
512	-	0	1.90621 Hartree
513	-	0	1.90762 Hartree
514	-	0	1.91251 Hartree
515	-	0	1.91739 Hartree
516	-	0	1.92188 Hartree
517	-	0	1.92872 Hartree
518	-	0	1.93103 Hartree
519	-	0	1.93778 Hartree
520	-	0	1.93898 Hartree
521	-	0	1.94503 Hartree
522	-	0	1.95585 Hartree
523	-	0	1.95935 Hartree
524	-	0	1.97182 Hartree
525	-	0	1.98192 Hartree
526	-	0	1.98250 Hartree
527	-	0	1.98628 Hartree
528	-	0	1.98865 Hartree
529	-	0	1.99097 Hartree
530	-	0	1.99707 Hartree
531	-	0	2.00724 Hartree
532	-	0	2.02410 Hartree
533	-	0	2.03116 Hartree
534	-	0	2.04330 Hartree
535	-	0	2.04754 Hartree
536	-	0	2.05123 Hartree
537	-	0	2.05661 Hartree
538	-	0	2.05732 Hartree
539	-	0	2.06214 Hartree
540	-	0	2.07062 Hartree
541	-	0	2.07403 Hartree
542	-	0	2.08338 Hartree
543	-	0	2.08950 Hartree
544	-	0	2.09593 Hartree
545	-	0	2.10677 Hartree
546	-	0	2.12061 Hartree
547	-	0	2.13100 Hartree
548	-	0	2.13705 Hartree
549	-	0	2.14291 Hartree
550	-	0	2.14564 Hartree
551	-	0	2.14783 Hartree
552	-	0	2.14977 Hartree
553	-	0	2.15215 Hartree
554	-	0	2.15456 Hartree
555	-	0	2.15589 Hartree
556	-	0	2.15764 Hartree
557	-	0	2.16008 Hartree
558	-	0	2.16396 Hartree
559	-	0	2.16721 Hartree
560	-	0	2.17043 Hartree
561	-	0	2.17179 Hartree
562	-	0	2.17385 Hartree
563	-	0	2.17718 Hartree
564	-	0	2.18437 Hartree
565	-	0	2.18619 Hartree
566	-	0	2.20266 Hartree
567	-	0	2.21239 Hartree
568	-	0	2.21471 Hartree
569	-	0	2.22053 Hartree
570	-	0	2.23251 Hartree
571	-	0	2.24099 Hartree
572	-	0	2.24320 Hartree
573	-	0	2.26550 Hartree
574	-	0	2.27669 Hartree
575	-	0	2.28168 Hartree
576	-	0	2.29794 Hartree
577	-	0	2.29848 Hartree
578	-	0	2.29948 Hartree
579	-	0	2.30668 Hartree
580	-	0	2.30853 Hartree
581	-	0	2.31249 Hartree
582	-	0	2.31585 Hartree
583	-	0	2.31905 Hartree
584	-	0	2.32172 Hartree
585	-	0	2.32493 Hartree
586	-	0	2.32580 Hartree
587	-	0	2.33137 Hartree
588	-	0	2.33992 Hartree
589	-	0	2.34485 Hartree
590	-	0	2.36394 Hartree
591	-	0	2.37350 Hartree
592	-	0	2.37778 Hartree
593	-	0	2.40198 Hartree
594	-	0	2.40791 Hartree
595	-	0	2.42197 Hartree
596	-	0	2.42475 Hartree
597	-	0	2.43375 Hartree
598	-	0	2.44806 Hartree
599	-	0	2.45513 Hartree
600	-	0	2.47273 Hartree
601	-	0	2.50482 Hartree
602	-	0	2.52052 Hartree
603	-	0	2.52455 Hartree
604	-	0	2.53511 Hartree
605	-	0	2.55415 Hartree
606	-	0	2.57516 Hartree
607	-	0	2.58307 Hartree
608	-	0	2.59018 Hartree
609	-	0	2.59261 Hartree
610	-	0	2.59673 Hartree
611	-	0	2.60118 Hartree
612	-	0	2.60860 Hartree
613	-	0	2.61003 Hartree
614	-	0	2.61530 Hartree
615	-	0	2.62508 Hartree
616	-	0	2.62916 Hartree
617	-	0	2.63706 Hartree
618	-	0	2.64057 Hartree
619	-	0	2.65041 Hartree
620	-	0	2.65553 Hartree
621	-	0	2.65632 Hartree
622	-	0	2.65828 Hartree
623	-	0	2.66214 Hartree
624	-	0	2.67165 Hartree
625	-	0	2.68197 Hartree
626	-	0	2.70228 Hartree
627	-	0	2.70369 Hartree
628	-	0	2.71521 Hartree
629	-	0	2.71917 Hartree
630	-	0	2.72198 Hartree
631	-	0	2.73207 Hartree
632	-	0	2.73464 Hartree
633	-	0	2.74066 Hartree
634	-	0	2.74408 Hartree
635	-	0	2.74551 Hartree
636	-	0	2.74892 Hartree
637	-	0	2.75045 Hartree
638	-	0	2.75445 Hartree
639	-	0	2.76164 Hartree
640	-	0	2.76439 Hartree
641	-	0	2.77184 Hartree
642	-	0	2.77562 Hartree
643	-	0	2.77861 Hartree
644	-	0	2.78271 Hartree
645	-	0	2.78789 Hartree
646	-	0	2.79479 Hartree
647	-	0	2.80160 Hartree
648	-	0	2.80293 Hartree
649	-	0	2.81339 Hartree
650	-	0	2.83152 Hartree
651	-	0	2.85033 Hartree
652	-	0	2.86121 Hartree
653	-	0	2.88139 Hartree
654	-	0	2.89139 Hartree
655	-	0	2.90482 Hartree
656	-	0	2.92817 Hartree
657	-	0	2.96249 Hartree
658	-	0	2.97812 Hartree
659	-	0	3.00954 Hartree
660	-	0	3.03273 Hartree
661	-	0	3.04647 Hartree
662	-	0	3.05649 Hartree
663	-	0	3.08763 Hartree
664	-	0	3.10216 Hartree
665	-	0	3.10635 Hartree
666	-	0	3.14501 Hartree
667	-	0	3.17546 Hartree
668	-	0	3.17872 Hartree
669	-	0	3.24006 Hartree
670	-	0	3.26477 Hartree
671	-	0	3.40562 Hartree
672	-	0	3.40722 Hartree
673	-	0	3.41584 Hartree
674	-	0	3.42819 Hartree
675	-	0	3.43503 Hartree
676	-	0	3.45440 Hartree
677	-	0	4.08672 Hartree
678	-	0	4.09334 Hartree
679	-	0	4.09654 Hartree
680	-	0	4.09707 Hartree
681	-	0	4.09858 Hartree
682	-	0	4.10208 Hartree
683	-	0	4.10477 Hartree
684	-	0	4.10691 Hartree
685	-	0	4.12359 Hartree
686	-	0	4.12865 Hartree
687	-	0	4.14801 Hartree
688	-	0	4.15473 Hartree
689	-	0	4.15805 Hartree
690	-	0	4.17253 Hartree
691	-	0	4.19960 Hartree
692	-	0	4.20993 Hartree
693	-	0	4.23780 Hartree
694	-	0	4.25136 Hartree
695	-	0	4.25711 Hartree
696	-	0	4.29711 Hartree
697	-	0	4.31398 Hartree
698	-	0	4.31526 Hartree
699	-	0	4.33336 Hartree
700	-	0	4.35787 Hartree
701	-	0	4.36477 Hartree
702	-	0	4.37134 Hartree
703	-	0	4.38012 Hartree
704	-	0	4.39530 Hartree
705	-	0	4.40329 Hartree
706	-	0	4.42764 Hartree
707	-	0	4.43245 Hartree
708	-	0	4.47957 Hartree
709	-	0	4.49109 Hartree
710	-	0	4.57168 Hartree
711	-	0	4.58971 Hartree
712	-	0	4.60772 Hartree
713	-	0	4.71470 Hartree
714	-	0	4.72690 Hartree
715	-	0	4.73632 Hartree
716	-	0	4.76019 Hartree
717	-	0	4.79546 Hartree
718	-	0	4.81499 Hartree
719	-	0	4.89661 Hartree
720	-	0	5.02893 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom	Symbol	Charge
1	C	-0.15905
2	C	0.00517
3	C	0.02243
4	C	-0.16004
5	C	0.02175
6	C	0.00820
7	C	-0.07446
8	C	-0.21348
9	C	-0.22850
10	C	-0.23309
11	C	-0.22774
12	C	-0.20849
13	H	0.24618
14	H	0.23923
15	H	0.23723
16	H	0.23795
17	H	0.23479
18	C	-0.07452
19	C	-0.20827
20	C	-0.22960
21	C	-0.23337
22	C	-0.23132
23	C	-0.20886
24	H	0.24105
25	H	0.23712
26	H	0.23589
27	H	0.23799
28	H	0.24582
29	C	0.67123
30	O	-0.51547
31	C	-0.05567
32	C	-0.22295
33	C	-0.23337
34	C	-0.23347
35	C	-0.22886
36	C	-0.21066
37	H	0.24596
38	H	0.23674
39	H	0.23437
40	H	0.23603
41	H	0.25850
42	C	-0.07797
43	C	-0.20937
44	C	-0.23099
45	C	-0.23410
46	C	-0.22911
47	C	-0.21154
48	H	0.24702
49	H	0.23858
50	H	0.23636
51	H	0.23766
52	H	0.24181
53	C	-0.07357
54	C	-0.20176
55	C	-0.23187
56	C	-0.22905
57	C	-0.23069
58	C	-0.20654
59	H	0.23638
60	H	0.23749
61	H	0.23603
62	H	0.23781
63	H	0.24575
64	C	-0.04859
65	C	-0.21425
66	C	-0.22975
67	C	-0.23277
68	C	-0.22783
69	C	-0.20662
70	H	0.24054
71	H	0.23611
72	H	0.23416
73	H	0.23488
74	H	0.24340

Natural Atomic Orbitals

Display Range		- / 720
Orbital	Description	Occupancy	Energy	Actions
1	C1 Cor(1S)	1.998909187	-10.071532326 Hartree
2	C1 Val(2S)	0.910760023	-0.188178003 Hartree
3	C1 Ryd(3S)	0.001934673	2.072095759 Hartree
4	C1 Ryd(4S)	0.000032009	4.395446255 Hartree
5	C1 Val(2p)	1.093979640	-0.093146760 Hartree
6	C1 Ryd(3p)	0.006642400	1.347338791 Hartree
7	C1 Val(2p)	1.051936150	-0.092210764 Hartree
8	C1 Ryd(3p)	0.004709649	1.005825552 Hartree
9	C1 Val(2p)	1.083431527	-0.104807868 Hartree
10	C1 Ryd(3p)	0.002493422	0.921317520 Hartree
11	C1 Ryd(3d)	0.000697137	2.274881755 Hartree
12	C1 Ryd(3d)	0.001113062	2.388247563 Hartree
13	C1 Ryd(3d)	0.000818030	2.259483813 Hartree
14	C1 Ryd(3d)	0.001002791	2.381532128 Hartree
15	C1 Ryd(3d)	0.000585831	2.152320256 Hartree
16	C2 Cor(1S)	1.998825768	-10.048904561 Hartree
17	C2 Val(2S)	0.858178450	-0.126222852 Hartree
18	C2 Ryd(3S)	0.001538063	1.179191595 Hartree
19	C2 Ryd(4S)	0.000045263	4.375191396 Hartree
20	C2 Val(2p)	1.090725412	-0.054917015 Hartree
21	C2 Ryd(3p)	0.004391320	1.044144397 Hartree
22	C2 Val(2p)	1.025181374	-0.059284453 Hartree
23	C2 Ryd(3p)	0.005734527	1.153662507 Hartree
24	C2 Val(2p)	1.004453656	-0.086299734 Hartree
25	C2 Ryd(3p)	0.002531413	0.895023098 Hartree
26	C2 Ryd(3d)	0.000819576	2.309195870 Hartree
27	C2 Ryd(3d)	0.000752763	2.194199525 Hartree
28	C2 Ryd(3d)	0.000565744	2.317210860 Hartree
29	C2 Ryd(3d)	0.000611585	2.493646615 Hartree
30	C2 Ryd(3d)	0.000475296	2.191379166 Hartree
31	C3 Cor(1S)	1.998819028	-10.049325237 Hartree
32	C3 Val(2S)	0.857588943	-0.128061831 Hartree
33	C3 Ryd(3S)	0.001487215	1.184435602 Hartree
34	C3 Ryd(4S)	0.000045296	4.397665784 Hartree
35	C3 Val(2p)	1.081149411	-0.051695611 Hartree
36	C3 Ryd(3p)	0.003748288	0.961258525 Hartree
37	C3 Val(2p)	1.026813451	-0.063194785 Hartree
38	C3 Ryd(3p)	0.004499101	1.053826636 Hartree
39	C3 Val(2p)	0.994796597	-0.083262992 Hartree
40	C3 Ryd(3p)	0.005404223	0.956536714 Hartree
41	C3 Ryd(3d)	0.000775025	2.330113186 Hartree
42	C3 Ryd(3d)	0.000795241	2.168985509 Hartree
43	C3 Ryd(3d)	0.000542022	2.313218356 Hartree
44	C3 Ryd(3d)	0.000688742	2.426686233 Hartree
45	C3 Ryd(3d)	0.000421304	2.249039531 Hartree
46	C4 Cor(1S)	1.998860206	-10.073550646 Hartree
47	C4 Val(2S)	0.911614420	-0.188807135 Hartree
48	C4 Ryd(3S)	0.001595799	2.090811095 Hartree
49	C4 Ryd(4S)	0.000036857	4.426808753 Hartree
50	C4 Val(2p)	1.098589604	-0.093409287 Hartree
51	C4 Ryd(3p)	0.007873778	1.436993080 Hartree
52	C4 Val(2p)	1.052602903	-0.097933167 Hartree
53	C4 Ryd(3p)	0.002028488	0.841065653 Hartree
54	C4 Val(2p)	1.077285158	-0.105190775 Hartree
55	C4 Ryd(3p)	0.005331670	0.989392992 Hartree
56	C4 Ryd(3d)	0.000816496	2.216106989 Hartree
57	C4 Ryd(3d)	0.001020919	2.405696936 Hartree
58	C4 Ryd(3d)	0.000790568	2.222797465 Hartree
59	C4 Ryd(3d)	0.001064265	2.421633304 Hartree
60	C4 Ryd(3d)	0.000532942	2.158503132 Hartree
61	C5 Cor(1S)	1.998800375	-10.048186202 Hartree
62	C5 Val(2S)	0.859309788	-0.128092446 Hartree
63	C5 Ryd(3S)	0.001418555	1.171683365 Hartree
64	C5 Ryd(4S)	0.000044885	4.388384885 Hartree
65	C5 Val(2p)	1.085451835	-0.052300331 Hartree
66	C5 Ryd(3p)	0.004047626	0.993806973 Hartree
67	C5 Val(2p)	1.023551984	-0.058145821 Hartree
68	C5 Ryd(3p)	0.004082217	1.059053333 Hartree
69	C5 Val(2p)	0.992660314	-0.087558471 Hartree
70	C5 Ryd(3p)	0.005625884	0.933502393 Hartree
71	C5 Ryd(3d)	0.000782971	2.353380190 Hartree
72	C5 Ryd(3d)	0.000808809	2.152293599 Hartree
73	C5 Ryd(3d)	0.000535245	2.275965974 Hartree
74	C5 Ryd(3d)	0.000727678	2.446380211 Hartree
75	C5 Ryd(3d)	0.000403151	2.258121400 Hartree
76	C6 Cor(1S)	1.998796574	-10.047798173 Hartree
77	C6 Val(2S)	0.854939344	-0.125078043 Hartree
78	C6 Ryd(3S)	0.001355686	1.192671741 Hartree
79	C6 Ryd(4S)	0.000045323	4.399800516 Hartree
80	C6 Val(2p)	1.082723881	-0.057105411 Hartree
81	C6 Ryd(3p)	0.003957221	0.933375555 Hartree
82	C6 Val(2p)	1.030840600	-0.053797601 Hartree
83	C6 Ryd(3p)	0.005849680	1.181225450 Hartree
84	C6 Val(2p)	1.005891632	-0.086902501 Hartree
85	C6 Ryd(3p)	0.004176848	0.893889091 Hartree
86	C6 Ryd(3d)	0.000833607	2.322393696 Hartree
87	C6 Ryd(3d)	0.000758839	2.156825592 Hartree
88	C6 Ryd(3d)	0.000585180	2.325120116 Hartree
89	C6 Ryd(3d)	0.000608951	2.491501484 Hartree
90	C6 Ryd(3d)	0.000435155	2.227800343 Hartree
91	C7 Cor(1S)	1.998979384	-10.047355336 Hartree
92	C7 Val(2S)	0.870716560	-0.130731424 Hartree
93	C7 Ryd(3S)	0.001003746	1.175488537 Hartree
94	C7 Ryd(4S)	0.000060184	4.346201547 Hartree
95	C7 Val(2p)	1.043523698	-0.076946683 Hartree
96	C7 Ryd(3p)	0.004223831	0.953532400 Hartree
97	C7 Val(2p)	1.085922564	-0.049456807 Hartree
98	C7 Ryd(3p)	0.004952875	1.120129761 Hartree
99	C7 Val(2p)	1.058991224	-0.071114584 Hartree
100	C7 Ryd(3p)	0.003081604	0.972597127 Hartree
101	C7 Ryd(3d)	0.000636533	2.238008933 Hartree
102	C7 Ryd(3d)	0.000501322	2.417077739 Hartree
103	C7 Ryd(3d)	0.000658290	2.283882627 Hartree
104	C7 Ryd(3d)	0.000585952	2.379327041 Hartree
105	C7 Ryd(3d)	0.000621767	2.121606499 Hartree
106	C8 Cor(1S)	1.999016353	-10.041788778 Hartree
107	C8 Val(2S)	0.947985028	-0.157441297 Hartree
108	C8 Ryd(3S)	0.000602879	1.215061783 Hartree
109	C8 Ryd(4S)	0.000048831	4.072637366 Hartree
110	C8 Val(2p)	1.022822433	-0.074403463 Hartree
111	C8 Ryd(3p)	0.001901318	0.692710032 Hartree
112	C8 Val(2p)	1.184201420	-0.054962169 Hartree
113	C8 Ryd(3p)	0.004529989	1.136488633 Hartree
114	C8 Val(2p)	1.046902797	-0.061607345 Hartree
115	C8 Ryd(3p)	0.002715901	0.758801881 Hartree
116	C8 Ryd(3d)	0.000445943	2.098037134 Hartree
117	C8 Ryd(3d)	0.000392777	2.399677366 Hartree
118	C8 Ryd(3d)	0.000595448	2.206705579 Hartree
119	C8 Ryd(3d)	0.000740180	2.195110126 Hartree
120	C8 Ryd(3d)	0.000575810	2.063376045 Hartree
121	C9 Cor(1S)	1.999091692	-10.045762931 Hartree
122	C9 Val(2S)	0.960352064	-0.168954061 Hartree
123	C9 Ryd(3S)	0.000583131	1.270114399 Hartree
124	C9 Ryd(4S)	0.000033097	3.947433946 Hartree
125	C9 Val(2p)	1.070745394	-0.081112334 Hartree
126	C9 Ryd(3p)	0.002516872	0.810818647 Hartree
127	C9 Val(2p)	1.068740649	-0.036424244 Hartree
128	C9 Ryd(3p)	0.004608534	0.716471287 Hartree
129	C9 Val(2p)	1.115615089	-0.073416705 Hartree
130	C9 Ryd(3p)	0.003422298	0.922605376 Hartree
131	C9 Ryd(3d)	0.000572721	2.141681566 Hartree
132	C9 Ryd(3d)	0.000646941	2.209511142 Hartree
133	C9 Ryd(3d)	0.000614766	2.210487113 Hartree
134	C9 Ryd(3d)	0.000502042	2.277027197 Hartree
135	C9 Ryd(3d)	0.000451613	1.975107889 Hartree
136	C10 Cor(1S)	1.999093176	-10.045723349 Hartree
137	C10 Val(2S)	0.963256280	-0.170232905 Hartree
138	C10 Ryd(3S)	0.000516721	1.264363619 Hartree
139	C10 Ryd(4S)	0.000032238	3.946244032 Hartree
140	C10 Val(2p)	1.058167845	-0.078385189 Hartree
141	C10 Ryd(3p)	0.002412537	0.757623484 Hartree
142	C10 Val(2p)	1.135178947	-0.045956374 Hartree
143	C10 Ryd(3p)	0.004745712	0.926574604 Hartree
144	C10 Val(2p)	1.063841986	-0.066275362 Hartree
145	C10 Ryd(3p)	0.003068298	0.754661133 Hartree
146	C10 Ryd(3d)	0.000657256	2.071088729 Hartree
147	C10 Ryd(3d)	0.000467448	2.302054718 Hartree
148	C10 Ryd(3d)	0.000639160	2.180637795 Hartree
149	C10 Ryd(3d)	0.000505811	2.213370333 Hartree
150	C10 Ryd(3d)	0.000503606	2.025580481 Hartree
151	C11 Cor(1S)	1.999089765	-10.044738039 Hartree
152	C11 Val(2S)	0.960901397	-0.168180487 Hartree
153	C11 Ryd(3S)	0.000586427	1.268559600 Hartree
154	C11 Ryd(4S)	0.000034904	3.950372121 Hartree
155	C11 Val(2p)	1.024297574	-0.072967087 Hartree
156	C11 Ryd(3p)	0.002273534	0.662983984 Hartree
157	C11 Val(2p)	1.182688480	-0.051605167 Hartree
158	C11 Ryd(3p)	0.005168727	1.078772301 Hartree
159	C11 Val(2p)	1.046841921	-0.063526438 Hartree
160	C11 Ryd(3p)	0.003063277	0.710989899 Hartree
161	C11 Ryd(3d)	0.000472590	2.074874593 Hartree
162	C11 Ryd(3d)	0.000397576	2.371060221 Hartree
163	C11 Ryd(3d)	0.000613148	2.148312958 Hartree
164	C11 Ryd(3d)	0.000741472	2.182210237 Hartree
165	C11 Ryd(3d)	0.000568114	2.041964628 Hartree
166	C12 Cor(1S)	1.999024221	-10.040623799 Hartree
167	C12 Val(2S)	0.951999655	-0.157867279 Hartree
168	C12 Ryd(3S)	0.000680770	1.209307308 Hartree
169	C12 Ryd(4S)	0.000051232	4.158411102 Hartree
170	C12 Val(2p)	1.073077312	-0.081265876 Hartree
171	C12 Ryd(3p)	0.002273050	0.889269965 Hartree
172	C12 Val(2p)	1.055020794	-0.031501713 Hartree
173	C12 Ryd(3p)	0.003827128	0.752185937 Hartree
174	C12 Val(2p)	1.116600019	-0.074240622 Hartree
175	C12 Ryd(3p)	0.003167472	0.948243817 Hartree
176	C12 Ryd(3d)	0.000556835	2.180120985 Hartree
177	C12 Ryd(3d)	0.000635673	2.254520161 Hartree
178	C12 Ryd(3d)	0.000600241	2.252305603 Hartree
179	C12 Ryd(3d)	0.000514082	2.295766957 Hartree
180	C12 Ryd(3d)	0.000458731	1.998256616 Hartree
181	H13 Val(1S)	0.752804888	0.103167879 Hartree
182	H13 Ryd(2S)	0.001010215	0.603547340 Hartree
183	H14 Val(1S)	0.759910034	0.095943656 Hartree
184	H14 Ryd(2S)	0.000860157	0.565176683 Hartree
185	H15 Val(1S)	0.761940996	0.094291259 Hartree
186	H15 Ryd(2S)	0.000829638	0.563337156 Hartree
187	H16 Val(1S)	0.761187005	0.093642332 Hartree
188	H16 Ryd(2S)	0.000863798	0.563083103 Hartree
189	H17 Val(1S)	0.764039464	0.097829073 Hartree
190	H17 Ryd(2S)	0.001168420	0.705272572 Hartree
191	C18 Cor(1S)	1.998973259	-10.043295369 Hartree
192	C18 Val(2S)	0.868777141	-0.124948435 Hartree
193	C18 Ryd(3S)	0.000975306	1.142617845 Hartree
194	C18 Ryd(4S)	0.000060847	4.297094667 Hartree
195	C18 Val(2p)	1.051053512	-0.065449303 Hartree
196	C18 Ryd(3p)	0.004559110	1.002622579 Hartree
197	C18 Val(2p)	1.041833181	-0.069409420 Hartree
198	C18 Ryd(3p)	0.003774212	0.976554669 Hartree
199	C18 Val(2p)	1.097941353	-0.049945002 Hartree
200	C18 Ryd(3p)	0.003601529	1.041152504 Hartree
201	C18 Ryd(3d)	0.000505430	2.457651208 Hartree
202	C18 Ryd(3d)	0.000711832	2.254699706 Hartree
203	C18 Ryd(3d)	0.000634333	2.228565225 Hartree
204	C18 Ryd(3d)	0.000481452	2.064504418 Hartree
205	C18 Ryd(3d)	0.000642462	2.443742393 Hartree
206	C19 Cor(1S)	1.999023926	-10.037576665 Hartree
207	C19 Val(2S)	0.951459908	-0.153882577 Hartree
208	C19 Ryd(3S)	0.000654844	1.236112383 Hartree
209	C19 Ryd(4S)	0.000045723	4.108611090 Hartree
210	C19 Val(2p)	1.022490856	-0.059587171 Hartree
211	C19 Ryd(3p)	0.002242862	0.709057684 Hartree
212	C19 Val(2p)	1.024641121	-0.065221077 Hartree
213	C19 Ryd(3p)	0.002000974	0.761604589 Hartree
214	C19 Val(2p)	1.197780875	-0.050941859 Hartree
215	C19 Ryd(3p)	0.005141773	1.141868645 Hartree
216	C19 Ryd(3d)	0.000398560	2.429583261 Hartree
217	C19 Ryd(3d)	0.000477316	2.165696527 Hartree
218	C19 Ryd(3d)	0.000492955	2.113241709 Hartree
219	C19 Ryd(3d)	0.000531525	1.967325075 Hartree
220	C19 Ryd(3d)	0.000883926	2.326195975 Hartree
221	C20 Cor(1S)	1.999089460	-10.040650899 Hartree
222	C20 Val(2S)	0.960018666	-0.163912156 Hartree
223	C20 Ryd(3S)	0.000579279	1.275112602 Hartree
224	C20 Ryd(4S)	0.000033809	3.952491898 Hartree
225	C20 Val(2p)	1.083604961	-0.068314312 Hartree
226	C20 Ryd(3p)	0.003031445	0.837225460 Hartree
227	C20 Val(2p)	1.063077885	-0.069833032 Hartree
228	C20 Ryd(3p)	0.002638804	0.770050942 Hartree
229	C20 Val(2p)	1.109946514	-0.038141051 Hartree
230	C20 Ryd(3p)	0.004791606	0.858025630 Hartree
231	C20 Ryd(3d)	0.000518862	2.292356980 Hartree
232	C20 Ryd(3d)	0.000699184	2.151331927 Hartree
233	C20 Ryd(3d)	0.000614606	2.144838835 Hartree
234	C20 Ryd(3d)	0.000412547	1.869619306 Hartree
235	C20 Ryd(3d)	0.000537881	2.380741896 Hartree
236	C21 Cor(1S)	1.999093348	-10.041861901 Hartree
237	C21 Val(2S)	0.962868018	-0.166217181 Hartree
238	C21 Ryd(3S)	0.000515544	1.267025886 Hartree
239	C21 Ryd(4S)	0.000032408	3.950899644 Hartree
240	C21 Val(2p)	1.087778667	-0.069930282 Hartree
241	C21 Ryd(3p)	0.002961384	0.840445190 Hartree
242	C21 Val(2p)	1.086064111	-0.074769335 Hartree
243	C21 Ryd(3p)	0.002759116	0.845493612 Hartree
244	C21 Val(2p)	1.084054960	-0.034561365 Hartree
245	C21 Ryd(3p)	0.004467483	0.763510772 Hartree
246	C21 Ryd(3d)	0.000612168	2.242377849 Hartree
247	C21 Ryd(3d)	0.000617119	2.183699496 Hartree
248	C21 Ryd(3d)	0.000630758	2.140470669 Hartree
249	C21 Ryd(3d)	0.000355092	1.834959051 Hartree
250	C21 Ryd(3d)	0.000561843	2.409568120 Hartree
251	C22 Cor(1S)	1.999090016	-10.041125410 Hartree
252	C22 Val(2S)	0.960087263	-0.164506972 Hartree
253	C22 Ryd(3S)	0.000579628	1.275338197 Hartree
254	C22 Ryd(4S)	0.000034321	3.949263387 Hartree
255	C22 Val(2p)	1.033311484	-0.061445008 Hartree
256	C22 Ryd(3p)	0.002707904	0.666456591 Hartree
257	C22 Val(2p)	1.030910755	-0.066224211 Hartree
258	C22 Ryd(3p)	0.002516036	0.669407469 Hartree
259	C22 Val(2p)	1.194077757	-0.050685285 Hartree
260	C22 Ryd(3p)	0.005228797	1.124786836 Hartree
261	C22 Ryd(3d)	0.000395610	2.402402074 Hartree
262	C22 Ryd(3d)	0.000475863	2.128847202 Hartree
263	C22 Ryd(3d)	0.000478796	2.086117993 Hartree
264	C22 Ryd(3d)	0.000531928	1.960095746 Hartree
265	C22 Ryd(3d)	0.000895404	2.253062835 Hartree
266	C23 Cor(1S)	1.999023223	-10.038858029 Hartree
267	C23 Val(2S)	0.951346275	-0.154782564 Hartree
268	C23 Ryd(3S)	0.000661584	1.198189078 Hartree
269	C23 Ryd(4S)	0.000049860	4.096391299 Hartree
270	C23 Val(2p)	1.087504242	-0.071207298 Hartree
271	C23 Ryd(3p)	0.002606873	0.909790353 Hartree
272	C23 Val(2p)	1.061902151	-0.073215948 Hartree
273	C23 Ryd(3p)	0.002255612	0.809477938 Hartree
274	C23 Val(2p)	1.096375872	-0.033949729 Hartree
275	C23 Ryd(3p)	0.004363468	0.854617804 Hartree
276	C23 Ryd(3d)	0.000522009	2.311817948 Hartree
277	C23 Ryd(3d)	0.000699292	2.205719630 Hartree
278	C23 Ryd(3d)	0.000608690	2.187568758 Hartree
279	C23 Ryd(3d)	0.000404233	1.871134405 Hartree
280	C23 Ryd(3d)	0.000541364	2.410286180 Hartree
281	H24 Val(1S)	0.757917535	0.100438671 Hartree
282	H24 Ryd(2S)	0.001036809	0.608302080 Hartree
283	H25 Val(1S)	0.762009844	0.096936596 Hartree
284	H25 Ryd(2S)	0.000874844	0.567276704 Hartree
285	H26 Val(1S)	0.763270538	0.096625877 Hartree
286	H26 Ryd(2S)	0.000838450	0.566418669 Hartree
287	H27 Val(1S)	0.761152957	0.098606625 Hartree
288	H27 Ryd(2S)	0.000860351	0.568522934 Hartree
289	H28 Val(1S)	0.753198405	0.105398051 Hartree
290	H28 Ryd(2S)	0.000983476	0.616276343 Hartree
291	C29 Cor(1S)	1.999267229	-10.157339769 Hartree
292	C29 Val(2S)	0.849049396	-0.191519101 Hartree
293	C29 Ryd(3S)	0.013335116	1.211477106 Hartree
294	C29 Ryd(4S)	0.000266655	4.320738143 Hartree
295	C29 Val(2p)	0.927192989	-0.059005259 Hartree
296	C29 Ryd(3p)	0.003657816	0.879014820 Hartree
297	C29 Val(2p)	0.708002727	-0.116101780 Hartree
298	C29 Ryd(3p)	0.002544619	0.684527451 Hartree
299	C29 Val(2p)	0.794159440	0.012831673 Hartree
300	C29 Ryd(3p)	0.024549935	0.886224285 Hartree
301	C29 Ryd(3d)	0.000390562	2.008765351 Hartree
302	C29 Ryd(3d)	0.002850287	2.678342090 Hartree
303	C29 Ryd(3d)	0.001879352	2.413907209 Hartree
304	C29 Ryd(3d)	0.000583181	2.191264780 Hartree
305	C29 Ryd(3d)	0.001036390	2.683132935 Hartree
306	O30 Cor(1S)	1.999736165	-18.866376822 Hartree
307	O30 Val(2S)	1.674866774	-0.903313505 Hartree
308	O30 Ryd(3S)	0.001023509	2.163470153 Hartree
309	O30 Ryd(4S)	0.000060311	3.487863811 Hartree
310	O30 Val(2p)	1.797694467	-0.260687628 Hartree
311	O30 Ryd(3p)	0.002730679	1.284539752 Hartree
312	O30 Val(2p)	1.396486715	-0.250747388 Hartree
313	O30 Ryd(3p)	0.000475919	1.131596909 Hartree
314	O30 Val(2p)	1.626549251	-0.332626722 Hartree
315	O30 Ryd(3p)	0.000232555	1.355980523 Hartree
316	O30 Ryd(3d)	0.000055707	1.808421177 Hartree
317	O30 Ryd(3d)	0.004307130	2.075848212 Hartree
318	O30 Ryd(3d)	0.004882646	1.946893201 Hartree
319	O30 Ryd(3d)	0.000092422	1.841013328 Hartree
320	O30 Ryd(3d)	0.006279742	2.576218521 Hartree
321	C31 Cor(1S)	1.999033518	-10.037910673 Hartree
322	C31 Val(2S)	0.860306011	-0.120391879 Hartree
323	C31 Ryd(3S)	0.000872939	1.158572485 Hartree
324	C31 Ryd(4S)	0.000056395	4.358185161 Hartree
325	C31 Val(2p)	1.053410241	-0.033237220 Hartree
326	C31 Ryd(3p)	0.005509883	1.228943307 Hartree
327	C31 Val(2p)	1.024869103	-0.093413402 Hartree
328	C31 Ryd(3p)	0.003451175	0.803934494 Hartree
329	C31 Val(2p)	1.100528416	-0.046190770 Hartree
330	C31 Ryd(3p)	0.004814576	1.068371390 Hartree
331	C31 Ryd(3d)	0.000412783	2.055027015 Hartree
332	C31 Ryd(3d)	0.000765045	2.512299948 Hartree
333	C31 Ryd(3d)	0.000571040	1.967586643 Hartree
334	C31 Ryd(3d)	0.000477624	2.451705466 Hartree
335	C31 Ryd(3d)	0.000587747	2.469647207 Hartree
336	C32 Cor(1S)	1.999041246	-10.027437627 Hartree
337	C32 Val(2S)	0.951831945	-0.146192170 Hartree
338	C32 Ryd(3S)	0.000649828	1.249373308 Hartree
339	C32 Ryd(4S)	0.000042753	4.058395757 Hartree
340	C32 Val(2p)	1.150765869	-0.038123444 Hartree
341	C32 Ryd(3p)	0.004299322	1.062649110 Hartree
342	C32 Val(2p)	0.983737562	-0.091002239 Hartree
343	C32 Ryd(3p)	0.000569751	0.655059777 Hartree
344	C32 Val(2p)	1.124477494	-0.025214521 Hartree
345	C32 Ryd(3p)	0.004771834	0.939692780 Hartree
346	C32 Ryd(3d)	0.000406506	1.887716601 Hartree
347	C32 Ryd(3d)	0.000873735	2.434343520 Hartree
348	C32 Ryd(3d)	0.000453192	1.947893471 Hartree
349	C32 Ryd(3d)	0.000486965	2.334601434 Hartree
350	C32 Ryd(3d)	0.000546799	2.443217304 Hartree
351	C33 Cor(1S)	1.999102345	-10.035309436 Hartree
352	C33 Val(2S)	0.960023257	-0.158575246 Hartree
353	C33 Ryd(3S)	0.000598433	1.296766948 Hartree
354	C33 Ryd(4S)	0.000033786	3.943693420 Hartree
355	C33 Val(2p)	1.066675037	-0.023748129 Hartree
356	C33 Ryd(3p)	0.004555166	0.721427959 Hartree
357	C33 Val(2p)	1.002401152	-0.092855128 Hartree
358	C33 Ryd(3p)	0.000678358	0.634064820 Hartree
359	C33 Val(2p)	1.191293009	-0.044098241 Hartree
360	C33 Ryd(3p)	0.005247753	1.125528050 Hartree
361	C33 Ryd(3d)	0.000503934	1.961746466 Hartree
362	C33 Ryd(3d)	0.000650197	2.396743173 Hartree
363	C33 Ryd(3d)	0.000330499	1.820431955 Hartree
364	C33 Ryd(3d)	0.000392138	2.406936880 Hartree
365	C33 Ryd(3d)	0.000880339	2.272169568 Hartree
366	C34 Cor(1S)	1.999088711	-10.036720533 Hartree
367	C34 Val(2S)	0.962543719	-0.161163567 Hartree
368	C34 Ryd(3S)	0.000515149	1.274718048 Hartree
369	C34 Ryd(4S)	0.000033036	3.953160974 Hartree
370	C34 Val(2p)	1.182719754	-0.043838265 Hartree
371	C34 Ryd(3p)	0.004981764	1.085706025 Hartree
372	C34 Val(2p)	0.997901762	-0.093725812 Hartree
373	C34 Ryd(3p)	0.000701796	0.632803697 Hartree
374	C34 Val(2p)	1.077719229	-0.028454585 Hartree
375	C34 Ryd(3p)	0.004481720	0.742116217 Hartree
376	C34 Ryd(3d)	0.000349782	1.830774567 Hartree
377	C34 Ryd(3d)	0.000717384	2.392101817 Hartree
378	C34 Ryd(3d)	0.000505994	1.947803124 Hartree
379	C34 Ryd(3d)	0.000631241	2.236253134 Hartree
380	C34 Ryd(3d)	0.000582666	2.431909394 Hartree
381	C35 Cor(1S)	1.999082323	-10.034898978 Hartree
382	C35 Val(2S)	0.957898136	-0.157653796 Hartree
383	C35 Ryd(3S)	0.000619040	1.276761010 Hartree
384	C35 Ryd(4S)	0.000034046	3.964487656 Hartree
385	C35 Val(2p)	1.137309732	-0.034808189 Hartree
386	C35 Ryd(3p)	0.005005263	0.938209072 Hartree
387	C35 Val(2p)	0.998761361	-0.091875931 Hartree
388	C35 Ryd(3p)	0.000647950	0.638263444 Hartree
389	C35 Val(2p)	1.121877459	-0.034593213 Hartree
390	C35 Ryd(3p)	0.004851110	0.907128825 Hartree
391	C35 Ryd(3d)	0.000419544	1.896035042 Hartree
392	C35 Ryd(3d)	0.000881489	2.382123392 Hartree
393	C35 Ryd(3d)	0.000430019	1.900555069 Hartree
394	C35 Ryd(3d)	0.000489366	2.313378439 Hartree
395	C35 Ryd(3d)	0.000553432	2.380934213 Hartree
396	C36 Cor(1S)	1.999045521	-10.031005956 Hartree
397	C36 Val(2S)	0.948192587	-0.148210243 Hartree
398	C36 Ryd(3S)	0.000798053	1.213887457 Hartree
399	C36 Ryd(4S)	0.000052769	4.227195056 Hartree
400	C36 Val(2p)	1.068383951	-0.027265860 Hartree
401	C36 Ryd(3p)	0.003626429	0.841302097 Hartree
402	C36 Val(2p)	0.984458968	-0.091754625 Hartree
403	C36 Ryd(3p)	0.000914518	0.743538164 Hartree
404	C36 Val(2p)	1.197082699	-0.045614092 Hartree
405	C36 Ryd(3p)	0.005303058	1.154310595 Hartree
406	C36 Ryd(3d)	0.000530119	1.968345422 Hartree
407	C36 Ryd(3d)	0.000649639	2.423642497 Hartree
408	C36 Ryd(3d)	0.000344024	1.859437474 Hartree
409	C36 Ryd(3d)	0.000412058	2.447515741 Hartree
410	C36 Ryd(3d)	0.000865743	2.376103647 Hartree
411	H37 Val(1S)	0.752964077	0.110172822 Hartree
412	H37 Ryd(2S)	0.001074062	0.675649479 Hartree
413	H38 Val(1S)	0.762381959	0.102105078 Hartree
414	H38 Ryd(2S)	0.000874653	0.572047007 Hartree
415	H39 Val(1S)	0.764774147	0.099503609 Hartree
416	H39 Ryd(2S)	0.000851616	0.569479898 Hartree
417	H40 Val(1S)	0.763108209	0.102505615 Hartree
418	H40 Ryd(2S)	0.000865519	0.572530130 Hartree
419	H41 Val(1S)	0.739381788	0.131168431 Hartree
420	H41 Ryd(2S)	0.002118976	0.683318297 Hartree
421	C42 Cor(1S)	1.998973633	-10.044277186 Hartree
422	C42 Val(2S)	0.869580815	-0.127236034 Hartree
423	C42 Ryd(3S)	0.000979965	1.161974248 Hartree
424	C42 Ryd(4S)	0.000060296	4.329112224 Hartree
425	C42 Val(2p)	1.046925517	-0.072747491 Hartree
426	C42 Ryd(3p)	0.004393969	0.973957051 Hartree
427	C42 Val(2p)	1.049782619	-0.067824878 Hartree
428	C42 Ryd(3p)	0.003756958	0.998652389 Hartree
429	C42 Val(2p)	1.096575202	-0.051008583 Hartree
430	C42 Ryd(3p)	0.003948649	1.052498963 Hartree
431	C42 Ryd(3d)	0.000485258	2.459001176 Hartree
432	C42 Ryd(3d)	0.000694438	2.206654744 Hartree
433	C42 Ryd(3d)	0.000650851	2.261132268 Hartree
434	C42 Ryd(3d)	0.000509992	2.048592638 Hartree
435	C42 Ryd(3d)	0.000651451	2.462883509 Hartree
436	C43 Cor(1S)	1.999017260	-10.039963816 Hartree
437	C43 Val(2S)	0.951612895	-0.156270722 Hartree
438	C43 Ryd(3S)	0.000677730	1.188339721 Hartree
439	C43 Ryd(4S)	0.000051135	4.115498225 Hartree
440	C43 Val(2p)	1.073056057	-0.077340479 Hartree
441	C43 Ryd(3p)	0.002270972	0.860726940 Hartree
442	C43 Val(2p)	1.087239417	-0.072373975 Hartree
443	C43 Ryd(3p)	0.002708400	0.875061394 Hartree
444	C43 Val(2p)	1.085690544	-0.033181913 Hartree
445	C43 Ryd(3p)	0.004268171	0.824026517 Hartree
446	C43 Ryd(3d)	0.000552329	2.299456742 Hartree
447	C43 Ryd(3d)	0.000636341	2.169294730 Hartree
448	C43 Ryd(3d)	0.000663737	2.221918417 Hartree
449	C43 Ryd(3d)	0.000380456	1.858525303 Hartree
450	C43 Ryd(3d)	0.000541883	2.428348349 Hartree
451	C44 Cor(1S)	1.999089592	-10.042596468 Hartree
452	C44 Val(2S)	0.960336051	-0.166048587 Hartree
453	C44 Ryd(3S)	0.000578479	1.273381431 Hartree
454	C44 Ryd(4S)	0.000034252	3.948784735 Hartree
455	C44 Val(2p)	1.026964985	-0.069006390 Hartree
456	C44 Ryd(3p)	0.002360509	0.658224814 Hartree
457	C44 Val(2p)	1.033146726	-0.062046994 Hartree
458	C44 Ryd(3p)	0.002823023	0.665297866 Hartree
459	C44 Val(2p)	1.197599191	-0.051641858 Hartree
460	C44 Ryd(3p)	0.005273106	1.131873573 Hartree
461	C44 Ryd(3d)	0.000393431	2.403606518 Hartree
462	C44 Ryd(3d)	0.000453709	2.068798755 Hartree
463	C44 Ryd(3d)	0.000481393	2.130098788 Hartree
464	C44 Ryd(3d)	0.000534185	1.957981018 Hartree
465	C44 Ryd(3d)	0.000919639	2.261531535 Hartree
466	C45 Cor(1S)	1.999093492	-10.043248071 Hartree
467	C45 Val(2S)	0.963000933	-0.167703012 Hartree
468	C45 Ryd(3S)	0.000516073	1.264168776 Hartree
469	C45 Ryd(4S)	0.000032510	3.951095273 Hartree
470	C45 Val(2p)	1.072404317	-0.076058346 Hartree
471	C45 Ryd(3p)	0.002596935	0.801448245 Hartree
472	C45 Val(2p)	1.092149319	-0.070895116 Hartree
473	C45 Ryd(3p)	0.003055108	0.851398928 Hartree
474	C45 Val(2p)	1.093911636	-0.036597940 Hartree
475	C45 Ryd(3p)	0.004564412	0.792613008 Hartree
476	C45 Ryd(3d)	0.000571925	2.255088216 Hartree
477	C45 Ryd(3d)	0.000620188	2.124769467 Hartree
478	C45 Ryd(3d)	0.000664955	2.170041987 Hartree
479	C45 Ryd(3d)	0.000370684	1.839988795 Hartree
480	C45 Ryd(3d)	0.000547750	2.413893945 Hartree
481	C46 Cor(1S)	1.999088549	-10.042189038 Hartree
482	C46 Val(2S)	0.960187021	-0.165530593 Hartree
483	C46 Ryd(3S)	0.000583601	1.268225525 Hartree
484	C46 Ryd(4S)	0.000034378	3.955948644 Hartree
485	C46 Val(2p)	1.069173285	-0.074754603 Hartree
486	C46 Ryd(3p)	0.002640390	0.803592586 Hartree
487	C46 Val(2p)	1.086108637	-0.068759198 Hartree
488	C46 Ryd(3p)	0.003059928	0.832407689 Hartree
489	C46 Val(2p)	1.100632569	-0.037374483 Hartree
490	C46 Ryd(3p)	0.004809349	0.824570404 Hartree
491	C46 Ryd(3d)	0.000550287	2.273975498 Hartree
492	C46 Ryd(3d)	0.000639067	2.119952189 Hartree
493	C46 Ryd(3d)	0.000670524	2.176145247 Hartree
494	C46 Ryd(3d)	0.000390145	1.856146930 Hartree
495	C46 Ryd(3d)	0.000538533	2.406924544 Hartree
496	C47 Cor(1S)	1.999021036	-10.038644541 Hartree
497	C47 Val(2S)	0.951579953	-0.155462789 Hartree
498	C47 Ryd(3S)	0.000662026	1.239275677 Hartree
499	C47 Ryd(4S)	0.000046043	4.144175653 Hartree
500	C47 Val(2p)	1.017877674	-0.067684144 Hartree
501	C47 Ryd(3p)	0.002033009	0.708452850 Hartree
502	C47 Val(2p)	1.026367900	-0.060610902 Hartree
503	C47 Ryd(3p)	0.002314200	0.752198353 Hartree
504	C47 Val(2p)	1.203754563	-0.052805328 Hartree
505	C47 Ryd(3p)	0.005104547	1.160160335 Hartree
506	C47 Ryd(3d)	0.000396533	2.435087217 Hartree
507	C47 Ryd(3d)	0.000454556	2.108435800 Hartree
508	C47 Ryd(3d)	0.000493415	2.163861196 Hartree
509	C47 Ryd(3d)	0.000525075	1.969369544 Hartree
510	C47 Ryd(3d)	0.000911983	2.325287412 Hartree
511	H48 Val(1S)	0.751992112	0.105295916 Hartree
512	H48 Ryd(2S)	0.000990803	0.614484656 Hartree
513	H49 Val(1S)	0.760559297	0.097769456 Hartree
514	H49 Ryd(2S)	0.000857827	0.567262592 Hartree
515	H50 Val(1S)	0.762806973	0.095759043 Hartree
516	H50 Ryd(2S)	0.000834854	0.565271221 Hartree
517	H51 Val(1S)	0.761466523	0.096035712 Hartree
518	H51 Ryd(2S)	0.000875490	0.566194586 Hartree
519	H52 Val(1S)	0.757216516	0.099573728 Hartree
520	H52 Ryd(2S)	0.000972833	0.590240980 Hartree
521	C53 Cor(1S)	1.998977788	-10.045109656 Hartree
522	C53 Val(2S)	0.867646822	-0.123443717 Hartree
523	C53 Ryd(3S)	0.000843517	1.132515485 Hartree
524	C53 Ryd(4S)	0.000063275	4.239544888 Hartree
525	C53 Val(2p)	1.071871167	-0.055362706 Hartree
526	C53 Ryd(3p)	0.004794650	1.075309212 Hartree
527	C53 Val(2p)	1.090724295	-0.046460635 Hartree
528	C53 Ryd(3p)	0.004433693	1.135092600 Hartree
529	C53 Val(2p)	1.029161694	-0.082613576 Hartree
530	C53 Ryd(3p)	0.002135833	0.868616862 Hartree
531	C53 Ryd(3d)	0.000714796	2.371154407 Hartree
532	C53 Ryd(3d)	0.000516749	2.311775454 Hartree
533	C53 Ryd(3d)	0.000565299	2.119182997 Hartree
534	C53 Ryd(3d)	0.000657186	2.419752695 Hartree
535	C53 Ryd(3d)	0.000466742	2.171946657 Hartree
536	C54 Cor(1S)	1.999052686	-10.036954362 Hartree
537	C54 Val(2S)	0.950031077	-0.153406189 Hartree
538	C54 Ryd(3S)	0.000709447	1.199010379 Hartree
539	C54 Ryd(4S)	0.000052618	4.106621210 Hartree
540	C54 Val(2p)	1.141048057	-0.061370242 Hartree
541	C54 Ryd(3p)	0.003770367	1.067707803 Hartree
542	C54 Val(2p)	1.067001873	-0.026974796 Hartree
543	C54 Ryd(3p)	0.003982641	0.807110605 Hartree
544	C54 Val(2p)	1.031811755	-0.083871439 Hartree
545	C54 Ryd(3p)	0.001529318	0.762709229 Hartree
546	C54 Ryd(3d)	0.000668247	2.335337360 Hartree
547	C54 Ryd(3d)	0.000545547	2.173065424 Hartree
548	C54 Ryd(3d)	0.000520227	2.112810126 Hartree
549	C54 Ryd(3d)	0.000638899	2.306814089 Hartree
550	C54 Ryd(3d)	0.000395770	2.072627455 Hartree
551	C55 Cor(1S)	1.999093434	-10.040546025 Hartree
552	C55 Val(2S)	0.960052162	-0.163910318 Hartree
553	C55 Ryd(3S)	0.000591852	1.283655555 Hartree
554	C55 Ryd(4S)	0.000034672	3.944353827 Hartree
555	C55 Val(2p)	1.053181301	-0.047424796 Hartree
556	C55 Ryd(3p)	0.003517991	0.706584144 Hartree
557	C55 Val(2p)	1.191070092	-0.049750855 Hartree
558	C55 Ryd(3p)	0.005247170	1.113069644 Hartree
559	C55 Val(2p)	1.014612835	-0.079879757 Hartree
560	C55 Ryd(3p)	0.001681253	0.648678991 Hartree
561	C55 Ryd(3d)	0.000600127	2.246701445 Hartree
562	C55 Ryd(3d)	0.000423782	2.288473315 Hartree
563	C55 Ryd(3d)	0.000399771	1.981274682 Hartree
564	C55 Ryd(3d)	0.000803975	2.248113272 Hartree
565	C55 Ryd(3d)	0.000561001	2.074318538 Hartree
566	C56 Cor(1S)	1.999091430	-10.042371106 Hartree
567	C56 Val(2S)	0.963271533	-0.166703778 Hartree
568	C56 Ryd(3S)	0.000510638	1.275401406 Hartree
569	C56 Ryd(4S)	0.000031707	3.942755935 Hartree
570	C56 Val(2p)	1.098666712	-0.054912030 Hartree
571	C56 Ryd(3p)	0.003789238	0.848679276 Hartree
572	C56 Val(2p)	1.115333176	-0.039888617 Hartree
573	C56 Ryd(3p)	0.004610116	0.866149615 Hartree
574	C56 Val(2p)	1.039155962	-0.085170194 Hartree
575	C56 Ryd(3p)	0.001803627	0.732309501 Hartree
576	C56 Ryd(3d)	0.000730412	2.268160514 Hartree
577	C56 Ryd(3d)	0.000511482	2.183189694 Hartree
578	C56 Ryd(3d)	0.000586707	2.019104106 Hartree
579	C56 Ryd(3d)	0.000576108	2.295620518 Hartree
580	C56 Ryd(3d)	0.000377968	2.044624365 Hartree
581	C57 Cor(1S)	1.999090021	-10.040937859 Hartree
582	C57 Val(2S)	0.959143324	-0.163936894 Hartree
583	C57 Ryd(3S)	0.000607356	1.283181859 Hartree
584	C57 Ryd(4S)	0.000032616	3.944804658 Hartree
585	C57 Val(2p)	1.141009979	-0.059825524 Hartree
586	C57 Ryd(3p)	0.004214341	0.989568346 Hartree
587	C57 Val(2p)	1.078830090	-0.034513323 Hartree
588	C57 Ryd(3p)	0.004597628	0.758066147 Hartree
589	C57 Val(2p)	1.038654164	-0.084003797 Hartree
590	C57 Ryd(3p)	0.001726784	0.719140403 Hartree
591	C57 Ryd(3d)	0.000695233	2.272993549 Hartree
592	C57 Ryd(3d)	0.000524102	2.138252005 Hartree
593	C57 Ryd(3d)	0.000541161	2.078899249 Hartree
594	C57 Ryd(3d)	0.000622365	2.291848492 Hartree
595	C57 Ryd(3d)	0.000401236	2.060023940 Hartree
596	C58 Cor(1S)	1.999054640	-10.037800284 Hartree
597	C58 Val(2S)	0.946503798	-0.152994469 Hartree
598	C58 Ryd(3S)	0.000669792	1.204635807 Hartree
599	C58 Ryd(4S)	0.000051111	4.104311884 Hartree
600	C58 Val(2p)	1.047102246	-0.043793558 Hartree
601	C58 Ryd(3p)	0.003120477	0.771495974 Hartree
602	C58 Val(2p)	1.191170798	-0.051877860 Hartree
603	C58 Ryd(3p)	0.004745910	1.165325775 Hartree
604	C58 Val(2p)	1.009937209	-0.081335893 Hartree
605	C58 Ryd(3p)	0.001423030	0.731706284 Hartree
606	C58 Ryd(3d)	0.000584355	2.326212868 Hartree
607	C58 Ryd(3d)	0.000432507	2.304827682 Hartree
608	C58 Ryd(3d)	0.000387082	2.003252249 Hartree
609	C58 Ryd(3d)	0.000800645	2.267262967 Hartree
610	C58 Ryd(3d)	0.000557158	2.100619960 Hartree
611	H59 Val(1S)	0.762355362	0.105301815 Hartree
612	H59 Ryd(2S)	0.001268287	0.781464099 Hartree
613	H60 Val(1S)	0.761654792	0.097313558 Hartree
614	H60 Ryd(2S)	0.000852627	0.566630661 Hartree
615	H61 Val(1S)	0.763131089	0.096344705 Hartree
616	H61 Ryd(2S)	0.000835859	0.565611654 Hartree
617	H62 Val(1S)	0.761332094	0.098295664 Hartree
618	H62 Ryd(2S)	0.000858810	0.568167987 Hartree
619	H63 Val(1S)	0.753149702	0.108943049 Hartree
620	H63 Ryd(2S)	0.001101641	0.683449136 Hartree
621	C64 Cor(1S)	1.999031282	-10.036098828 Hartree
622	C64 Val(2S)	0.860215163	-0.116567889 Hartree
623	C64 Ryd(3S)	0.001386990	1.152007318 Hartree
624	C64 Ryd(4S)	0.000056701	4.354108973 Hartree
625	C64 Val(2p)	1.041101040	-0.040079896 Hartree
626	C64 Ryd(3p)	0.004967972	1.149289823 Hartree
627	C64 Val(2p)	1.099490188	-0.046451585 Hartree
628	C64 Ryd(3p)	0.005371743	1.105760996 Hartree
629	C64 Val(2p)	1.030419549	-0.075185448 Hartree
630	C64 Ryd(3p)	0.003731570	0.907677696 Hartree
631	C64 Ryd(3d)	0.000605713	2.399006427 Hartree
632	C64 Ryd(3d)	0.000545708	2.293844118 Hartree
633	C64 Ryd(3d)	0.000571590	2.172845986 Hartree
634	C64 Ryd(3d)	0.000682103	2.381128878 Hartree
635	C64 Ryd(3d)	0.000410463	2.186978699 Hartree
636	C65 Cor(1S)	1.999042618	-10.026365538 Hartree
637	C65 Val(2S)	0.944882579	-0.142011628 Hartree
638	C65 Ryd(3S)	0.000626728	1.251518429 Hartree
639	C65 Ryd(4S)	0.000050882	4.042058410 Hartree
640	C65 Val(2p)	1.061974080	-0.038967442 Hartree
641	C65 Ryd(3p)	0.002852039	0.828396356 Hartree
642	C65 Val(2p)	1.161427570	-0.032314326 Hartree
643	C65 Ryd(3p)	0.004688251	1.091391419 Hartree
644	C65 Val(2p)	1.034390440	-0.075221617 Hartree
645	C65 Ryd(3p)	0.001544814	0.790020497 Hartree
646	C65 Ryd(3d)	0.000623054	2.323011407 Hartree
647	C65 Ryd(3d)	0.000461920	2.259786188 Hartree
648	C65 Ryd(3d)	0.000587243	2.045368370 Hartree
649	C65 Ryd(3d)	0.000688291	2.347098368 Hartree
650	C65 Ryd(3d)	0.000407553	2.086346341 Hartree
651	C66 Cor(1S)	1.999100319	-10.032538927 Hartree
652	C66 Val(2S)	0.958595131	-0.155150781 Hartree
653	C66 Ryd(3S)	0.000592002	1.307634648 Hartree
654	C66 Ryd(4S)	0.000032415	3.942121875 Hartree
655	C66 Val(2p)	1.088434615	-0.040708164 Hartree
656	C66 Ryd(3p)	0.003918339	0.821472286 Hartree
657	C66 Val(2p)	1.152409073	-0.040409577 Hartree
658	C66 Ryd(3p)	0.004896633	1.014368218 Hartree
659	C66 Val(2p)	1.017343762	-0.070680307 Hartree
660	C66 Ryd(3p)	0.001663555	0.657993991 Hartree
661	C66 Ryd(3d)	0.000805096	2.246650166 Hartree
662	C66 Ryd(3d)	0.000407516	2.238722684 Hartree
663	C66 Ryd(3d)	0.000409440	2.067055704 Hartree
664	C66 Ryd(3d)	0.000585480	2.253584892 Hartree
665	C66 Ryd(3d)	0.000559979	2.072229615 Hartree
666	C67 Cor(1S)	1.999086490	-10.033119316 Hartree
667	C67 Val(2S)	0.961943633	-0.157264677 Hartree
668	C67 Ryd(3S)	0.000513497	1.285832119 Hartree
669	C67 Ryd(4S)	0.000032608	3.948768143 Hartree
670	C67 Val(2p)	1.151506733	-0.051868915 Hartree
671	C67 Ryd(3p)	0.004062680	1.019728297 Hartree
672	C67 Val(2p)	1.060293048	-0.027179616 Hartree
673	C67 Ryd(3p)	0.004155122	0.694856661 Hartree
674	C67 Val(2p)	1.046495844	-0.076236398 Hartree
675	C67 Ryd(3p)	0.001901169	0.755776394 Hartree
676	C67 Ryd(3d)	0.000573140	2.304552509 Hartree
677	C67 Ryd(3d)	0.000607798	2.101148774 Hartree
678	C67 Ryd(3d)	0.000517277	2.132257905 Hartree
679	C67 Ryd(3d)	0.000716646	2.272372091 Hartree
680	C67 Ryd(3d)	0.000366311	2.047474960 Hartree
681	C68 Cor(1S)	1.999088238	-10.031900789 Hartree
682	C68 Val(2S)	0.957920044	-0.154100291 Hartree
683	C68 Ryd(3S)	0.000630048	1.299242816 Hartree
684	C68 Ryd(4S)	0.000031411	3.950397589 Hartree
685	C68 Val(2p)	1.060802613	-0.036771186 Hartree
686	C68 Ryd(3p)	0.003817337	0.727783452 Hartree
687	C68 Val(2p)	1.156061575	-0.041379990 Hartree
688	C68 Ryd(3p)	0.004853775	1.028834709 Hartree
689	C68 Val(2p)	1.040002230	-0.073072543 Hartree
690	C68 Ryd(3p)	0.001841725	0.735207594 Hartree
691	C68 Ryd(3d)	0.000603303	2.287155596 Hartree
692	C68 Ryd(3d)	0.000473308	2.246339257 Hartree
693	C68 Ryd(3d)	0.000593382	2.025391989 Hartree
694	C68 Ryd(3d)	0.000700487	2.270815245 Hartree
695	C68 Ryd(3d)	0.000413928	2.055425765 Hartree
696	C69 Cor(1S)	1.999049321	-10.028180376 Hartree
697	C69 Val(2S)	0.945872066	-0.144304733 Hartree
698	C69 Ryd(3S)	0.000856419	1.157169029 Hartree
699	C69 Ryd(4S)	0.000059150	4.180646733 Hartree
700	C69 Val(2p)	1.094321755	-0.046120855 Hartree
701	C69 Ryd(3p)	0.003220389	0.932622405 Hartree
702	C69 Val(2p)	1.145836827	-0.037470443 Hartree
703	C69 Ryd(3p)	0.004686347	1.012703426 Hartree
704	C69 Val(2p)	1.008369928	-0.069727400 Hartree
705	C69 Ryd(3p)	0.001564155	0.747684781 Hartree
706	C69 Ryd(3d)	0.000802237	2.275674609 Hartree
707	C69 Ryd(3d)	0.000420251	2.268098285 Hartree
708	C69 Ryd(3d)	0.000421078	2.119385193 Hartree
709	C69 Ryd(3d)	0.000568384	2.303266726 Hartree
710	C69 Ryd(3d)	0.000573329	2.102089487 Hartree
711	H70 Val(1S)	0.758398316	0.108779053 Hartree
712	H70 Ryd(2S)	0.001063013	0.665782109 Hartree
713	H71 Val(1S)	0.763021879	0.104493079 Hartree
714	H71 Ryd(2S)	0.000868014	0.574608593 Hartree
715	H72 Val(1S)	0.764990251	0.102457569 Hartree
716	H72 Ryd(2S)	0.000851113	0.572290645 Hartree
717	H73 Val(1S)	0.764251034	0.103639875 Hartree
718	H73 Ryd(2S)	0.000866096	0.574091189 Hartree
719	H74 Val(1S)	0.755323019	0.119395654 Hartree
720	H74 Ryd(2S)	0.001272388	0.774464889 Hartree

Natural Hybrid Orbitals

Display Range		- / 720
Orbital	Description	Occupancy	Energy	Actions
1	BD(1)C1(C2) 1s(24.53%)p3.07(75.42%)d0.00(0.05%)	1.015247496	-0.113953404 Hartree
2	BD(1)C2(C1) 2s(28.16%)p2.55(71.80%)d0.00(0.04%)	0.966720541	-0.091094959 Hartree
3	BD(1)C1(C6) 1s(25.40%)p2.93(74.55%)d0.00(0.05%)	1.016188935	-0.114581476 Hartree
4	BD(1)C6(C1) 6s(29.06%)p2.44(70.90%)d0.00(0.04%)	0.968616232	-0.089943111 Hartree
5	BD(1)C1(C29) 1s(18.86%)p4.30(81.08%)d0.00(0.06%)	1.080168272	-0.133392069 Hartree
6	BD(1)C29(C1) 29s(32.72%)p2.05(67.21%)d0.00(0.06%)	0.952607988	-0.119335089 Hartree
7	BD(1)C1(C64) 1s(31.07%)p2.22(68.89%)d0.00(0.04%)	1.035281702	-0.112005800 Hartree
8	BD(1)C64(C1) 64s(31.37%)p2.19(68.59%)d0.00(0.04%)	0.970309303	-0.072164856 Hartree
9	BD(1)C2(C3) 2s(36.69%)p1.72(63.28%)d0.00(0.04%)	0.997969422	-0.039658712 Hartree
10	BD(1)C3(C2) 3s(37.04%)p1.70(62.92%)d0.00(0.04%)	0.992050277	-0.035046523 Hartree
11	BD(2)C2(C3) 2s(0.00%)p1.00(99.93%)d0.00(0.06%)	1.007294873	-0.102810901 Hartree
12	BD(2)C3(C2) 3s(0.02%)p99.99(99.91%)d3.16(0.07%)	1.003459765	-0.102631695 Hartree
13	BD(1)C2(C53) 2s(35.07%)p1.85(64.89%)d0.00(0.04%)	1.009926625	-0.088420641 Hartree
14	BD(1)C53(C2) 53s(32.03%)p2.12(67.93%)d0.00(0.04%)	0.994416106	-0.072387462 Hartree
15	BD(1)C3(C4) 3s(28.11%)p2.56(71.85%)d0.00(0.04%)	0.962754433	-0.094459041 Hartree
16	BD(1)C4(C3) 4s(23.83%)p3.19(76.13%)d0.00(0.05%)	1.017414291	-0.116444398 Hartree
17	BD(1)C3(C42) 3s(34.75%)p1.88(65.21%)d0.00(0.04%)	1.005675933	-0.087631337 Hartree
18	BD(1)C42(C3) 42s(31.68%)p2.16(68.28%)d0.00(0.04%)	0.997397275	-0.076170710 Hartree
19	BD(1)C4(C5) 4s(24.04%)p3.16(75.91%)d0.00(0.05%)	1.017854732	-0.115179728 Hartree
20	BD(1)C5(C4) 5s(28.32%)p2.53(71.64%)d0.00(0.04%)	0.963840422	-0.093808044 Hartree
21	BD(1)C4(C29) 4s(20.64%)p3.84(79.30%)d0.00(0.06%)	1.076773895	-0.136655601 Hartree
22	BD(1)C29(C4) 29s(34.58%)p1.89(65.36%)d0.00(0.06%)	0.955259894	-0.115427681 Hartree
23	BD(1)C4(C31) 4s(31.35%)p2.19(68.61%)d0.00(0.04%)	1.035223390	-0.113185271 Hartree
24	BD(1)C31(C4) 31s(31.21%)p2.20(68.75%)d0.00(0.04%)	0.969677561	-0.072953143 Hartree
25	BD(1)C5(C6) 5s(36.84%)p1.71(63.12%)d0.00(0.04%)	0.993586634	-0.036264275 Hartree
26	BD(1)C6(C5) 6s(36.36%)p1.75(63.60%)d0.00(0.04%)	0.995845075	-0.035816310 Hartree
27	BD(2)C5(C6) 5s(0.01%)p99.99(99.92%)d5.79(0.07%)	0.999293976	-0.101904685 Hartree
28	BD(2)C6(C5) 6s(0.00%)p1.00(99.93%)d0.00(0.07%)	1.007515374	-0.102430277 Hartree
29	BD(1)C5(C18) 5s(34.75%)p1.88(65.21%)d0.00(0.04%)	1.007926254	-0.087907550 Hartree
30	BD(1)C18(C5) 18s(31.62%)p2.16(68.34%)d0.00(0.04%)	0.995178687	-0.074193454 Hartree
31	BD(1)C6(C7) 6s(34.51%)p1.90(65.45%)d0.00(0.04%)	1.005991050	-0.089626901 Hartree
32	BD(1)C7(C6) 7s(31.74%)p2.15(68.23%)d0.00(0.04%)	0.997913719	-0.078796437 Hartree
33	BD(1)C7(C8) 7s(34.11%)p1.93(65.85%)d0.00(0.03%)	1.023369814	-0.070092766 Hartree
34	BD(1)C8(C7) 8s(34.88%)p1.87(65.08%)d0.00(0.04%)	0.972936986	-0.040762623 Hartree
35	BD(2)C7(C8) 7s(0.02%)p99.99(99.95%)d1.26(0.03%)	1.014115913	-0.100311114 Hartree
36	BD(2)C8(C7) 8s(0.01%)p99.99(99.95%)d3.67(0.04%)	1.000672866	-0.103924005 Hartree
37	BD(1)C7(C12) 7s(34.10%)p1.93(65.87%)d0.00(0.03%)	1.025667513	-0.071564714 Hartree
38	BD(1)C12(C7) 12s(34.81%)p1.87(65.15%)d0.00(0.04%)	0.969494559	-0.039522088 Hartree
39	BD(1)C8(C9) 8s(35.47%)p1.82(64.50%)d0.00(0.04%)	1.001644853	-0.053329366 Hartree
40	BD(1)C9(C8) 9s(35.23%)p1.84(64.73%)d0.00(0.04%)	0.992197136	-0.048276160 Hartree
41	BD(1)C8(H17) 8s(29.60%)p2.38(70.35%)d0.00(0.05%)	1.230393558	-0.133722335 Hartree
42	BD(1)H17(C8) 17s(100.00%)	0.764036867	0.098839178 Hartree
43	BD(1)C9(C10) 9s(35.20%)p1.84(64.76%)d0.00(0.04%)	0.999735232	-0.053463119 Hartree
44	BD(1)C10(C9) 10s(35.10%)p1.85(64.86%)d0.00(0.04%)	0.996806150	-0.051286880 Hartree
45	BD(2)C9(C10) 9s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.994738671	-0.102843322 Hartree
46	BD(2)C10(C9) 10s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.997235580	-0.102804319 Hartree
47	BD(1)C9(H16) 9s(29.53%)p2.38(70.41%)d0.00(0.05%)	1.233367128	-0.137426147 Hartree
48	BD(1)H16(C9) 16s(100.00%)	0.761185512	0.094392401 Hartree
49	BD(1)C10(C11) 10s(35.12%)p1.85(64.84%)d0.00(0.04%)	0.997676353	-0.051382228 Hartree
50	BD(1)C11(C10) 11s(35.14%)p1.84(64.82%)d0.00(0.04%)	0.998965585	-0.052707684 Hartree
51	BD(1)C10(H15) 10s(29.74%)p2.36(70.20%)d0.00(0.05%)	1.233389516	-0.137340587 Hartree
52	BD(1)H15(C10) 15s(100.00%)	0.761939534	0.095034936 Hartree
53	BD(1)C11(C12) 11s(35.27%)p1.83(64.69%)d0.00(0.04%)	0.993641044	-0.047434756 Hartree
54	BD(1)C12(C11) 12s(35.45%)p1.82(64.51%)d0.00(0.04%)	1.000665011	-0.051544152 Hartree
55	BD(2)C11(C12) 11s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.992241508	-0.101678669 Hartree
56	BD(2)C12(C11) 12s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.989423159	-0.101553464 Hartree
57	BD(1)C11(H14) 11s(29.55%)p2.38(70.39%)d0.00(0.05%)	1.234501799	-0.136426716 Hartree
58	BD(1)H14(C11) 14s(100.00%)	0.759908523	0.096700241 Hartree
59	BD(1)C12(H13) 12s(29.69%)p2.37(70.25%)d0.00(0.05%)	1.240949414	-0.135619265 Hartree
60	BD(1)H13(C12) 13s(100.00%)	0.752802431	0.104135845 Hartree
61	BD(1)C18(C19) 18s(34.19%)p1.92(65.77%)d0.00(0.03%)	1.024997323	-0.066749627 Hartree
62	BD(1)C19(C18) 19s(34.75%)p1.88(65.21%)d0.00(0.04%)	0.970956245	-0.035537038 Hartree
63	BD(1)C18(C23) 18s(34.16%)p1.93(65.81%)d0.00(0.03%)	1.023976036	-0.066089420 Hartree
64	BD(1)C23(C18) 23s(34.85%)p1.87(65.11%)d0.00(0.04%)	0.969974885	-0.035981671 Hartree
65	BD(2)C18(C23) 18s(0.00%)p1.00(99.97%)d0.00(0.03%)	1.017134928	-0.095700493 Hartree
66	BD(2)C23(C18) 23s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.993631799	-0.098440460 Hartree
67	BD(1)C19(C20) 19s(35.51%)p1.81(64.45%)d0.00(0.04%)	1.001183367	-0.047562534 Hartree
68	BD(1)C20(C19) 20s(35.27%)p1.83(64.69%)d0.00(0.04%)	0.992764205	-0.043298557 Hartree
69	BD(2)C19(C20) 19s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.987669024	-0.096934326 Hartree
70	BD(2)C20(C19) 20s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.996329657	-0.097784767 Hartree
71	BD(1)C19(H28) 19s(29.69%)p2.37(70.25%)d0.00(0.05%)	1.240381362	-0.132787918 Hartree
72	BD(1)H28(C19) 28s(100.00%)	0.753196051	0.106346706 Hartree
73	BD(1)C20(C21) 20s(35.16%)p1.84(64.80%)d0.00(0.04%)	0.998825943	-0.048767651 Hartree
74	BD(1)C21(C20) 21s(35.14%)p1.84(64.82%)d0.00(0.04%)	0.997786846	-0.047579127 Hartree
75	BD(1)C20(H27) 20s(29.53%)p2.38(70.42%)d0.00(0.05%)	1.233304193	-0.132384060 Hartree
76	BD(1)H27(C20) 27s(100.00%)	0.761151509	0.099346348 Hartree
77	BD(1)C21(C22) 21s(35.15%)p1.84(64.81%)d0.00(0.04%)	0.997247203	-0.047361798 Hartree
78	BD(1)C22(C21) 22s(35.21%)p1.84(64.75%)d0.00(0.04%)	0.999314954	-0.048975191 Hartree
79	BD(2)C21(C22) 21s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.998247364	-0.099082392 Hartree
80	BD(2)C22(C21) 22s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.998087206	-0.098599743 Hartree
81	BD(1)C21(H26) 21s(29.68%)p2.37(70.27%)d0.00(0.05%)	1.232112317	-0.133478954 Hartree
82	BD(1)H26(C21) 26s(100.00%)	0.763269093	0.097364471 Hartree
83	BD(1)C22(C23) 22s(35.23%)p1.84(64.73%)d0.00(0.04%)	0.993131474	-0.044267971 Hartree
84	BD(1)C23(C22) 23s(35.51%)p1.82(64.46%)d0.00(0.04%)	1.000978849	-0.048763169 Hartree
85	BD(1)C22(H25) 22s(29.52%)p2.39(70.42%)d0.00(0.05%)	1.232440314	-0.133102765 Hartree
86	BD(1)H25(C22) 25s(100.00%)	0.762008359	0.097685338 Hartree
87	BD(1)C23(H24) 23s(29.60%)p2.38(70.35%)d0.00(0.05%)	1.236253299	-0.133027962 Hartree
88	BD(1)H24(C23) 24s(100.00%)	0.757915256	0.101367084 Hartree
89	BD(1)C29(O30) 29s(32.96%)p2.03(66.93%)d0.00(0.12%)	0.675184784	0.027557646 Hartree
90	BD(1)O30(C29) 30s(46.54%)p1.14(53.09%)d0.01(0.37%)	1.339230977	-0.559007644 Hartree
91	BD(2)C29(O30) 29s(0.00%)p1.00(99.81%)d0.00(0.19%)	0.707567626	-0.111508672 Hartree
92	BD(2)O30(C29) 30s(0.00%)p1.00(99.65%)d0.00(0.35%)	1.399620071	-0.251750697 Hartree
93	BD(1)C31(C32) 31s(34.65%)p1.89(65.32%)d0.00(0.03%)	1.025342016	-0.059700555 Hartree
94	BD(1)C32(C31) 32s(34.45%)p1.90(65.51%)d0.00(0.04%)	0.971417910	-0.027075765 Hartree
95	BD(2)C31(C32) 31s(0.00%)p1.00(99.97%)d0.00(0.03%)	1.024727936	-0.093920841 Hartree
96	BD(2)C32(C31) 32s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.983489810	-0.091023027 Hartree
97	BD(1)C31(C36) 31s(34.10%)p1.93(65.87%)d0.00(0.04%)	1.021232575	-0.060906020 Hartree
98	BD(1)C36(C31) 36s(34.86%)p1.87(65.10%)d0.00(0.04%)	0.975036785	-0.033302490 Hartree
99	BD(1)C32(C33) 32s(35.13%)p1.85(64.83%)d0.00(0.04%)	1.000815305	-0.041171394 Hartree
100	BD(1)C33(C32) 33s(35.24%)p1.84(64.72%)d0.00(0.04%)	0.993485798	-0.037826005 Hartree
101	BD(1)C32(H41) 32s(30.38%)p2.29(69.57%)d0.00(0.05%)	1.258863713	-0.123916138 Hartree
102	BD(1)H41(C32) 41s(100.00%)	0.739368533	0.133493056 Hartree
103	BD(1)C33(C34) 33s(35.25%)p1.84(64.71%)d0.00(0.04%)	0.997912344	-0.042728518 Hartree
104	BD(1)C34(C33) 34s(35.23%)p1.84(64.73%)d0.00(0.04%)	0.999352508	-0.042414214 Hartree
105	BD(2)C33(C34) 33s(0.00%)p1.00(99.96%)d0.00(0.04%)	1.001713040	-0.093865142 Hartree
106	BD(2)C34(C33) 34s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.997188577	-0.094767294 Hartree
107	BD(1)C33(H40) 33s(29.48%)p2.39(70.47%)d0.00(0.05%)	1.231857974	-0.126847332 Hartree
108	BD(1)H40(C33) 40s(100.00%)	0.763106680	0.103264210 Hartree
109	BD(1)C34(C35) 34s(35.09%)p1.85(64.87%)d0.00(0.04%)	0.997913230	-0.042640565 Hartree
110	BD(1)C35(C34) 35s(35.13%)p1.85(64.83%)d0.00(0.04%)	0.998650906	-0.043904305 Hartree
111	BD(1)C34(H39) 34s(29.64%)p2.37(70.31%)d0.00(0.05%)	1.231073690	-0.129413986 Hartree
112	BD(1)H39(C34) 39s(100.00%)	0.764772640	0.100255859 Hartree
113	BD(1)C35(C36) 35s(35.31%)p1.83(64.65%)d0.00(0.04%)	0.990638134	-0.036466338 Hartree
114	BD(1)C36(C35) 36s(35.58%)p1.81(64.38%)d0.00(0.04%)	1.003333067	-0.043559273 Hartree
115	BD(2)C35(C36) 35s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.998702889	-0.092797763 Hartree
116	BD(2)C36(C35) 36s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.983388302	-0.091900595 Hartree
117	BD(1)C35(H38) 35s(29.52%)p2.39(70.42%)d0.00(0.05%)	1.232390396	-0.127726665 Hartree
118	BD(1)H38(C35) 38s(100.00%)	0.762380504	0.102845134 Hartree
119	BD(1)C36(H37) 36s(29.52%)p2.39(70.43%)d0.00(0.05%)	1.240194532	-0.127688426 Hartree
120	BD(1)H37(C36) 37s(100.00%)	0.752961324	0.111221315 Hartree
121	BD(1)C42(C43) 42s(34.05%)p1.94(65.92%)d0.00(0.03%)	1.024142300	-0.067961615 Hartree
122	BD(1)C43(C42) 43s(34.85%)p1.87(65.11%)d0.00(0.04%)	0.969317611	-0.037603382 Hartree
123	BD(2)C42(C43) 42s(0.00%)p1.00(99.97%)d0.00(0.03%)	1.017415263	-0.097987450 Hartree
124	BD(2)C43(C42) 43s(0.01%)p1.00(99.95%)d0.00(0.04%)	0.994269130	-0.100013813 Hartree
125	BD(1)C42(C47) 42s(34.24%)p1.92(65.73%)d0.00(0.03%)	1.025663270	-0.069501041 Hartree
126	BD(1)C47(C42) 47s(34.75%)p1.88(65.21%)d0.00(0.04%)	0.970615981	-0.037176537 Hartree
127	BD(1)C43(C44) 43s(35.50%)p1.82(64.46%)d0.00(0.04%)	1.000789796	-0.049977166 Hartree
128	BD(1)C44(C43) 44s(35.24%)p1.84(64.72%)d0.00(0.04%)	0.993260941	-0.045592537 Hartree
129	BD(1)C43(H52) 43s(29.61%)p2.38(70.34%)d0.00(0.05%)	1.236935144	-0.134649083 Hartree
130	BD(1)H52(C43) 52s(100.00%)	0.757214486	0.100445443 Hartree
131	BD(1)C44(C45) 44s(35.19%)p1.84(64.77%)d0.00(0.04%)	0.999367300	-0.050565038 Hartree
132	BD(1)C45(C44) 45s(35.13%)p1.85(64.83%)d0.00(0.04%)	0.997211753	-0.048914906 Hartree
133	BD(2)C44(C45) 44s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.997098043	-0.100093826 Hartree
134	BD(2)C45(C44) 45s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.998657556	-0.100547459 Hartree
135	BD(1)C44(H51) 44s(29.53%)p2.38(70.42%)d0.00(0.05%)	1.232916915	-0.134574417 Hartree
136	BD(1)H51(C44) 51s(100.00%)	0.761465015	0.096790486 Hartree
137	BD(1)C45(C46) 45s(35.14%)p1.84(64.82%)d0.00(0.04%)	0.997686658	-0.048940864 Hartree
138	BD(1)C46(C45) 46s(35.16%)p1.84(64.80%)d0.00(0.04%)	0.998948761	-0.050288838 Hartree
139	BD(1)C45(H50) 45s(29.70%)p2.37(70.25%)d0.00(0.05%)	1.232553370	-0.134857276 Hartree
140	BD(1)H50(C45) 50s(100.00%)	0.762805524	0.096499000 Hartree
141	BD(1)C46(C47) 46s(35.26%)p1.83(64.70%)d0.00(0.04%)	0.992709012	-0.044953083 Hartree
142	BD(1)C47(C46) 47s(35.48%)p1.82(64.48%)d0.00(0.04%)	1.001284572	-0.049330569 Hartree
143	BD(2)C46(C47) 46s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.995176116	-0.099325999 Hartree
144	BD(2)C47(C46) 47s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.989948734	-0.099036435 Hartree
145	BD(1)C46(H49) 46s(29.54%)p2.38(70.41%)d0.00(0.05%)	1.233864674	-0.133874106 Hartree
146	BD(1)H49(C46) 49s(100.00%)	0.760557840	0.098511837 Hartree
147	BD(1)C47(H48) 47s(29.72%)p2.36(70.22%)d0.00(0.05%)	1.241598746	-0.134325089 Hartree
148	BD(1)H48(C47) 48s(100.00%)	0.751989655	0.106266570 Hartree
149	BD(1)C53(C54) 53s(34.02%)p1.94(65.95%)d0.00(0.03%)	1.025687707	-0.066975368 Hartree
150	BD(1)C54(C53) 54s(34.60%)p1.89(65.36%)d0.00(0.04%)	0.969600602	-0.035641080 Hartree
151	BD(1)C53(C58) 53s(33.91%)p1.95(66.05%)d0.00(0.03%)	1.023671068	-0.065616068 Hartree
152	BD(1)C58(C53) 58s(34.70%)p1.88(65.26%)d0.00(0.04%)	0.972680431	-0.037356256 Hartree
153	BD(2)C53(C58) 53s(0.01%)p1.00(99.97%)d0.00(0.03%)	1.017055460	-0.096160754 Hartree
154	BD(2)C58(C53) 58s(0.01%)p1.00(99.96%)d0.00(0.04%)	0.992149070	-0.098761908 Hartree
155	BD(1)C54(C55) 54s(35.56%)p1.81(64.41%)d0.00(0.04%)	1.000773202	-0.046786240 Hartree
156	BD(1)C55(C54) 55s(35.32%)p1.83(64.64%)d0.00(0.04%)	0.993446407	-0.042940503 Hartree
157	BD(2)C54(C55) 54s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.982853524	-0.096921850 Hartree
158	BD(2)C55(C54) 55s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.997873958	-0.098233547 Hartree
159	BD(1)C54(H63) 54s(29.80%)p2.35(70.15%)d0.00(0.05%)	1.240438036	-0.129488555 Hartree
160	BD(1)H63(C54) 63s(100.00%)	0.753147017	0.109976796 Hartree
161	BD(1)C55(C56) 55s(35.13%)p1.85(64.83%)d0.00(0.04%)	0.998947782	-0.049311050 Hartree
162	BD(1)C56(C55) 56s(35.10%)p1.85(64.86%)d0.00(0.04%)	0.997852961	-0.047785872 Hartree
163	BD(1)C55(H62) 55s(29.52%)p2.39(70.43%)d0.00(0.05%)	1.233221728	-0.132516103 Hartree
164	BD(1)H62(C55) 62s(100.00%)	0.761330595	0.099047699 Hartree
165	BD(1)C56(C57) 56s(35.12%)p1.85(64.84%)d0.00(0.04%)	0.997116616	-0.047261091 Hartree
166	BD(1)C57(C56) 57s(35.18%)p1.84(64.78%)d0.00(0.04%)	0.999445606	-0.049333541 Hartree
167	BD(2)C56(C57) 56s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.993700537	-0.099333656 Hartree
168	BD(2)C57(C56) 57s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.998029825	-0.098512193 Hartree
169	BD(1)C56(H61) 56s(29.74%)p2.36(70.21%)d0.00(0.05%)	1.232402996	-0.134274526 Hartree
170	BD(1)H61(C56) 61s(100.00%)	0.763129614	0.097090124 Hartree
171	BD(1)C57(C58) 57s(35.25%)p1.84(64.71%)d0.00(0.04%)	0.991734539	-0.043198131 Hartree
172	BD(1)C58(C57) 58s(35.60%)p1.81(64.37%)d0.00(0.04%)	1.002321134	-0.048964014 Hartree
173	BD(1)C57(H60) 57s(29.54%)p2.38(70.41%)d0.00(0.05%)	1.232988506	-0.133242760 Hartree
174	BD(1)H60(C57) 60s(100.00%)	0.761653358	0.098047931 Hartree
175	BD(1)C58(H59) 58s(29.65%)p2.37(70.30%)d0.00(0.05%)	1.231294991	-0.128087038 Hartree
176	BD(1)H59(C58) 59s(100.00%)	0.762352793	0.106337151 Hartree
177	BD(1)C64(C65) 64s(34.98%)p1.86(64.98%)d0.00(0.03%)	1.024062339	-0.055895847 Hartree
178	BD(1)C65(C64) 65s(34.81%)p1.87(65.15%)d0.00(0.04%)	0.973190732	-0.024891138 Hartree
179	BD(2)C64(C65) 64s(0.01%)p1.00(99.96%)d0.00(0.03%)	1.017950827	-0.089044086 Hartree
180	BD(2)C65(C64) 65s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.992125326	-0.089044582 Hartree
181	BD(1)C64(C69) 64s(33.59%)p1.98(66.37%)d0.00(0.04%)	1.020832239	-0.055388548 Hartree
182	BD(1)C69(C64) 69s(34.86%)p1.87(65.09%)d0.00(0.04%)	0.973605577	-0.030425697 Hartree
183	BD(1)C65(C66) 65s(35.25%)p1.84(64.71%)d0.00(0.04%)	1.002505896	-0.039920780 Hartree
184	BD(1)C66(C65) 66s(35.20%)p1.84(64.76%)d0.00(0.04%)	0.990885498	-0.034651294 Hartree
185	BD(1)C65(H74) 65s(29.89%)p2.34(70.06%)d0.00(0.05%)	1.238466950	-0.118135652 Hartree
186	BD(1)H74(C65) 74s(100.00%)	0.755320665	0.120382076 Hartree
187	BD(1)C66(C67) 66s(35.32%)p1.83(64.64%)d0.00(0.04%)	0.998476757	-0.039713423 Hartree
188	BD(1)C67(C66) 67s(35.21%)p1.84(64.75%)d0.00(0.04%)	0.998340354	-0.038312425 Hartree
189	BD(2)C66(C67) 66s(0.00%)p1.00(99.96%)d0.00(0.04%)	1.001373804	-0.090479183 Hartree
190	BD(2)C67(C66) 67s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.998053556	-0.090979724 Hartree
191	BD(1)C66(H73) 66s(29.44%)p2.39(70.51%)d0.00(0.05%)	1.230565777	-0.124130044 Hartree
192	BD(1)H73(C66) 73s(100.00%)	0.764249565	0.104381422 Hartree
193	BD(1)C67(C68) 67s(35.07%)p1.85(64.89%)d0.00(0.04%)	0.997749986	-0.039071264 Hartree
194	BD(1)C68(C67) 68s(35.15%)p1.84(64.81%)d0.00(0.04%)	0.998757072	-0.040587362 Hartree
195	BD(1)C67(H72) 67s(29.69%)p2.37(70.26%)d0.00(0.05%)	1.230728052	-0.126189204 Hartree
196	BD(1)H72(C67) 72s(100.00%)	0.764988775	0.103201799 Hartree
197	BD(1)C68(C69) 68s(35.31%)p1.83(64.65%)d0.00(0.04%)	0.990988778	-0.032609375 Hartree
198	BD(1)C69(C68) 69s(35.71%)p1.80(64.25%)d0.00(0.04%)	1.002978580	-0.039589138 Hartree
199	BD(2)C68(C69) 68s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.997843973	-0.089360094 Hartree
200	BD(2)C69(C68) 69s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.986921739	-0.088332275 Hartree
201	BD(1)C68(H71) 68s(29.50%)p2.39(70.44%)d0.00(0.05%)	1.231741256	-0.124614385 Hartree
202	BD(1)H71(C68) 71s(100.00%)	0.763020449	0.105225906 Hartree
203	BD(1)C69(H70) 69s(29.37%)p2.40(70.58%)d0.00(0.05%)	1.234515891	-0.123146923 Hartree
204	BD(1)H70(C69) 70s(100.00%)	0.758396142	0.109701449 Hartree
205	CR(1)C1 s(100.00%)p0.00(0.00%)	1.998907074	-10.071924620 Hartree
206	CR(1)C2 s(100.00%)p0.00(0.00%)	1.998825760	-10.048971840 Hartree
207	CR(1)C3 s(100.00%)p0.00(0.00%)	1.998816099	-10.049320230 Hartree
208	CR(1)C4 s(100.00%)p0.00(0.00%)	1.998858405	-10.073951450 Hartree
209	CR(1)C5 s(100.00%)p0.00(0.00%)	1.998798632	-10.048180622 Hartree
210	CR(1)C6 s(100.00%)p0.00(0.00%)	1.998795907	-10.047874262 Hartree
211	CR(1)C7 s(100.00%)p0.00(0.00%)	1.998978026	-10.047686114 Hartree
212	CR(1)C8 s(100.00%)p0.00(0.00%)	1.999019894	-10.042107467 Hartree
213	CR(1)C9 s(100.00%)p0.00(0.00%)	1.999095173	-10.046116142 Hartree
214	CR(1)C10 s(100.00%)p0.00(0.00%)	1.999096323	-10.046099913 Hartree
215	CR(1)C11 s(100.00%)p0.00(0.00%)	1.999093234	-10.045093679 Hartree
216	CR(1)C12 s(100.00%)p0.00(0.00%)	1.999028441	-10.040941037 Hartree
217	CR(1)C18 s(100.00%)p0.00(0.00%)	1.998971953	-10.043643413 Hartree
218	CR(1)C19 s(100.00%)p0.00(0.00%)	1.999027853	-10.037877525 Hartree
219	CR(1)C20 s(100.00%)p0.00(0.00%)	1.999092947	-10.041003432 Hartree
220	CR(1)C21 s(100.00%)p0.00(0.00%)	1.999096503	-10.042236667 Hartree
221	CR(1)C22 s(100.00%)p0.00(0.00%)	1.999093536	-10.041478223 Hartree
222	CR(1)C23 s(100.00%)p0.00(0.00%)	1.999027421	-10.039161060 Hartree
223	CR(1)C29 s(100.00%)p0.00(0.00%)	1.999270298	-10.157295043 Hartree
224	CR(1)O30 s(100.00%)p0.00(0.00%)	1.999733789	-18.868084719 Hartree
225	CR(1)C31 s(100.00%)	1.999032795	-10.038171228 Hartree
226	CR(1)C32 s(100.00%)p0.00(0.00%)	1.999044467	-10.027840666 Hartree
227	CR(1)C33 s(100.00%)p0.00(0.00%)	1.999105746	-10.035654271 Hartree
228	CR(1)C34 s(100.00%)p0.00(0.00%)	1.999091847	-10.037101413 Hartree
229	CR(1)C35 s(100.00%)p0.00(0.00%)	1.999085788	-10.035255103 Hartree
230	CR(1)C36 s(100.00%)p0.00(0.00%)	1.999049184	-10.031339114 Hartree
231	CR(1)C42 s(100.00%)p0.00(0.00%)	1.998972349	-10.044618556 Hartree
232	CR(1)C43 s(100.00%)p0.00(0.00%)	1.999021580	-10.040261974 Hartree
233	CR(1)C44 s(100.00%)p0.00(0.00%)	1.999093117	-10.042950011 Hartree
234	CR(1)C45 s(100.00%)p0.00(0.00%)	1.999096638	-10.043624012 Hartree
235	CR(1)C46 s(100.00%)p0.00(0.00%)	1.999092039	-10.042543451 Hartree
236	CR(1)C47 s(100.00%)p0.00(0.00%)	1.999025031	-10.038946296 Hartree
237	CR(1)C53 s(100.00%)p0.00(0.00%)	1.998976737	-10.045461526 Hartree
238	CR(1)C54 s(100.00%)p0.00(0.00%)	1.999056074	-10.037289841 Hartree
239	CR(1)C55 s(100.00%)p0.00(0.00%)	1.999096861	-10.040901256 Hartree
240	CR(1)C56 s(100.00%)p0.00(0.00%)	1.999094584	-10.042746682 Hartree
241	CR(1)C57 s(100.00%)p0.00(0.00%)	1.999093469	-10.041296460 Hartree
242	CR(1)C58 s(100.00%)p0.00(0.00%)	1.999057505	-10.038126070 Hartree
243	CR(1)C64 s(100.00%)p0.00(0.00%)	1.999029770	-10.036379593 Hartree
244	CR(1)C65 s(100.00%)p0.00(0.00%)	1.999045414	-10.026751125 Hartree
245	CR(1)C66 s(100.00%)p0.00(0.00%)	1.999103786	-10.032880206 Hartree
246	CR(1)C67 s(100.00%)p0.00(0.00%)	1.999089693	-10.033498193 Hartree
247	CR(1)C68 s(100.00%)p0.00(0.00%)	1.999091684	-10.032252333 Hartree
248	CR(1)C69 s(100.00%)p0.00(0.00%)	1.999052901	-10.028525064 Hartree
249	LP(1)O30 s(53.42%)p0.87(46.52%)d0.00(0.06%)	1.968353946	-0.672525051 Hartree
250	LP(2)O30 s(0.00%)p1.00(99.76%)d0.00(0.24%)	1.804537663	-0.264209266 Hartree
251	RY*(1)C1 s(0.11%)p99.99(95.66%)d38.09(4.23%)	0.005299313	1.175390385 Hartree
252	RY*(2)C1 s(0.17%)p99.99(95.36%)d26.85(4.47%)	0.003603353	1.262352088 Hartree
253	RY*(3)C1 s(0.13%)p99.99(90.43%)d70.98(9.44%)	0.001739746	1.173894462 Hartree
254	RY*(4)C1 s(69.20%)p0.01(0.80%)d0.43(30.00%)	0.000776918	2.003110913 Hartree
255	RY*(5)C1 s(11.01%)p0.01(0.14%)d8.07(88.86%)	0.000631890	2.142018917 Hartree
256	RY*(6)C1 s(0.26%)p0.30(0.08%)d99.99(99.67%)	0.000511068	2.150216841 Hartree
257	RY*(7)C1 s(17.64%)p0.38(6.75%)d4.29(75.61%)	0.000424165	2.157082835 Hartree
258	RY*(8)C1 s(4.02%)p1.39(5.59%)d22.50(90.39%)	0.000146010	2.394845845 Hartree
259	RY*(9)C1 s(0.34%)p14.34(4.81%)d99.99(94.86%)	0.000097511	2.309505934 Hartree
260	RY*(10)C1 s(97.27%)p0.00(0.44%)d0.02(2.29%)	0.000022080	4.426052820 Hartree
261	RY*(1)C2 s(0.03%)p99.99(96.18%)d99.99(3.79%)	0.005871489	1.087409289 Hartree
262	RY*(2)C2 s(5.13%)p17.82(91.44%)d0.67(3.43%)	0.003618356	1.268925033 Hartree
263	RY*(3)C2 s(0.14%)p99.99(88.91%)d76.60(10.94%)	0.002247732	1.057656848 Hartree
264	RY*(4)C2 s(89.37%)p0.06(5.64%)d0.06(5.00%)	0.001141390	1.210451017 Hartree
265	RY*(5)C2 s(3.04%)p0.11(0.33%)d31.79(96.63%)	0.000599094	2.155515452 Hartree
266	RY*(6)C2 s(0.65%)p12.26(7.95%)d99.99(91.40%)	0.000271281	2.005531899 Hartree
267	RY*(7)C2 s(1.98%)p2.88(5.70%)d46.72(92.33%)	0.000195046	2.344499889 Hartree
268	RY*(8)C2 s(1.55%)p2.23(3.44%)d61.40(95.01%)	0.000071358	2.353822346 Hartree
269	RY*(9)C2 s(40.85%)p0.00(0.10%)d1.45(59.05%)	0.000050733	3.216592335 Hartree
270	RY*(10)C2 s(57.35%)p0.01(0.40%)d0.74(42.25%)	0.000026508	3.447769359 Hartree
271	RY*(1)C3 s(0.67%)p99.99(96.58%)d4.08(2.75%)	0.006549372	0.924373363 Hartree
272	RY*(2)C3 s(1.30%)p70.31(91.47%)d5.56(7.23%)	0.003356174	1.370808360 Hartree
273	RY*(3)C3 s(2.92%)p32.45(94.77%)d0.79(2.31%)	0.002453150	0.884779124 Hartree
274	RY*(4)C3 s(93.06%)p0.06(5.24%)d0.02(1.70%)	0.001172962	1.221327771 Hartree
275	RY*(5)C3 s(0.56%)p1.56(0.88%)d99.99(98.56%)	0.000474973	2.285595494 Hartree
276	RY*(6)C3 s(1.14%)p1.59(1.81%)d85.40(97.05%)	0.000431298	2.245702036 Hartree
277	RY*(7)C3 s(0.64%)p5.43(3.46%)d99.99(95.90%)	0.000223873	2.255944621 Hartree
278	RY*(8)C3 s(2.10%)p2.60(5.44%)d44.07(92.46%)	0.000081499	2.174160409 Hartree
279	RY*(9)C3 s(97.25%)p0.00(0.28%)d0.03(2.47%)	0.000032354	4.330364242 Hartree
280	RY*(10)C3 s(0.44%)p0.40(0.18%)d99.99(99.38%)	0.000041725	2.342259028 Hartree
281	RY*(1)C4 s(0.07%)p99.99(96.76%)d46.75(3.17%)	0.007146914	1.196772430 Hartree
282	RY*(2)C4 s(0.45%)p99.99(90.78%)d19.57(8.77%)	0.002620980	1.438279936 Hartree
283	RY*(3)C4 s(0.00%)p1.00(91.42%)d0.09(8.58%)	0.001636850	0.942718716 Hartree
284	RY*(4)C4 s(23.73%)p0.02(0.54%)d3.19(75.73%)	0.000765087	2.115881358 Hartree
285	RY*(5)C4 s(72.49%)p0.00(0.27%)d0.38(27.24%)	0.000555621	2.066475205 Hartree
286	RY*(6)C4 s(1.38%)p2.68(3.70%)d68.90(94.92%)	0.000539321	2.273722545 Hartree
287	RY*(7)C4 s(0.17%)p29.44(4.93%)d99.99(94.91%)	0.000423905	2.046008804 Hartree
288	RY*(8)C4 s(3.84%)p1.74(6.68%)d23.30(89.48%)	0.000152358	2.366665733 Hartree
289	RY*(9)C4 s(0.31%)p14.06(4.34%)d99.99(95.35%)	0.000052875	2.278346282 Hartree
290	RY*(10)C4 s(97.72%)p0.01(0.64%)d0.02(1.65%)	0.000025448	4.481463829 Hartree
291	RY*(1)C5 s(0.35%)p99.99(96.64%)d8.49(3.00%)	0.006453302	0.932266173 Hartree
292	RY*(2)C5 s(0.94%)p98.38(92.06%)d7.49(7.00%)	0.003554796	1.367554828 Hartree
293	RY*(3)C5 s(3.16%)p29.78(94.01%)d0.90(2.83%)	0.002383928	0.897156332 Hartree
294	RY*(4)C5 s(93.02%)p0.05(4.72%)d0.02(2.26%)	0.001146291	1.214606206 Hartree
295	RY*(5)C5 s(0.73%)p1.35(0.98%)d99.99(98.29%)	0.000489809	2.252963406 Hartree
296	RY*(6)C5 s(1.42%)p1.38(1.96%)d68.15(96.62%)	0.000421445	2.267279517 Hartree
297	RY*(7)C5 s(0.73%)p5.39(3.96%)d99.99(95.31%)	0.000209857	2.258070947 Hartree
298	RY*(8)C5 s(2.54%)p2.06(5.24%)d36.31(92.22%)	0.000071896	2.175654576 Hartree
299	RY*(9)C5 s(23.13%)p0.02(0.37%)d3.31(76.50%)	0.000046732	2.890301483 Hartree
300	RY*(10)C5 s(74.06%)p0.00(0.16%)d0.35(25.77%)	0.000027341	3.770500762 Hartree
301	RY*(1)C6 s(0.06%)p99.99(96.84%)d55.79(3.11%)	0.006559847	0.960606449 Hartree
302	RY*(2)C6 s(4.37%)p20.94(91.41%)d0.97(4.23%)	0.003619985	1.237159477 Hartree
303	RY*(3)C6 s(1.88%)p48.46(91.10%)d3.73(7.02%)	0.002609912	1.070216741 Hartree
304	RY*(4)C6 s(84.80%)p0.07(6.31%)d0.10(8.88%)	0.001090239	1.288745356 Hartree
305	RY*(5)C6 s(5.95%)p0.06(0.39%)d15.74(93.66%)	0.000514098	2.229244934 Hartree
306	RY*(6)C6 s(0.23%)p23.70(5.37%)d99.99(94.40%)	0.000324852	2.153970766 Hartree
307	RY*(7)C6 s(3.57%)p1.42(5.07%)d25.59(91.36%)	0.000161206	2.350168529 Hartree
308	RY*(8)C6 s(0.28%)p10.56(2.97%)d99.99(96.75%)	0.000081280	2.167853424 Hartree
309	RY*(9)C6 s(98.49%)p0.00(0.29%)d0.01(1.21%)	0.000034691	4.348326381 Hartree
310	RY*(10)C6 s(0.45%)p0.82(0.37%)d99.99(99.18%)	0.000038775	2.313320655 Hartree
311	RY*(1)C7 s(0.86%)p99.99(93.65%)d6.39(5.49%)	0.005887929	1.301946721 Hartree
312	RY*(2)C7 s(0.33%)p99.99(95.52%)d12.64(4.15%)	0.004081959	1.045900661 Hartree
313	RY*(3)C7 s(0.61%)p99.99(93.13%)d10.25(6.26%)	0.002150825	0.962508475 Hartree
314	RY*(4)C7 s(94.01%)p0.02(1.80%)d0.04(4.19%)	0.000865086	1.254799444 Hartree
315	RY*(5)C7 s(0.63%)p0.08(0.05%)d99.99(99.32%)	0.000673652	1.943209127 Hartree
316	RY*(6)C7 s(2.69%)p2.28(6.14%)d33.86(91.17%)	0.000437894	2.242840506 Hartree
317	RY*(7)C7 s(0.26%)p17.57(4.48%)d99.99(95.26%)	0.000137683	2.172187266 Hartree
318	RY*(8)C7 s(29.99%)p0.10(2.96%)d2.24(67.05%)	0.000087260	2.963107763 Hartree
319	RY*(9)C7 s(0.40%)p2.01(0.81%)d99.99(98.79%)	0.000048143	2.392727875 Hartree
320	RY*(10)C7 s(70.25%)p0.02(1.57%)d0.40(28.18%)	0.000044118	3.721470683 Hartree
321	RY*(1)C8 s(0.07%)p99.99(92.97%)d94.46(6.95%)	0.004666182	1.301011356 Hartree
322	RY*(2)C8 s(0.04%)p99.99(97.42%)d59.96(2.53%)	0.002361516	0.792779224 Hartree
323	RY*(3)C8 s(0.25%)p99.99(38.68%)d99.99(61.06%)	0.000712457	1.447605092 Hartree
324	RY*(4)C8 s(6.52%)p8.12(52.93%)d6.22(40.55%)	0.000554646	1.202961886 Hartree
325	RY*(5)C8 s(87.62%)p0.03(2.36%)d0.11(10.02%)	0.000310734	1.203626693 Hartree
326	RY*(6)C8 s(3.36%)p0.69(2.30%)d28.10(94.34%)	0.000097145	2.341453023 Hartree
327	RY*(7)C8 s(55.57%)p0.02(1.06%)d0.78(43.37%)	0.000049889	3.306987942 Hartree
328	RY*(8)C8 s(8.51%)p0.69(5.84%)d10.07(85.65%)	0.000029383	2.403529802 Hartree
329	RY*(9)C8 s(32.75%)p0.01(0.34%)d2.04(66.92%)	0.000011007	2.874233923 Hartree
330	RY*(10)C8 s(5.35%)p1.16(6.21%)d16.52(88.43%)	0.000015989	1.948059748 Hartree
331	RY*(1)C9 s(0.25%)p99.99(92.60%)d28.68(7.15%)	0.004929169	1.271353571 Hartree
332	RY*(2)C9 s(0.26%)p99.99(98.22%)d5.74(1.51%)	0.002961307	0.714925899 Hartree
333	RY*(3)C9 s(0.00%)p1.00(0.30%)d99.99(99.70%)	0.000640914	1.948516760 Hartree
334	RY*(4)C9 s(1.06%)p82.94(87.74%)d10.59(11.21%)	0.000405906	0.733104496 Hartree
335	RY*(5)C9 s(96.66%)p0.01(1.17%)d0.02(2.17%)	0.000258386	1.139684879 Hartree
336	RY*(6)C9 s(0.03%)p46.00(1.55%)d99.99(98.41%)	0.000099719	2.362842119 Hartree
337	RY*(7)C9 s(53.15%)p0.01(0.32%)d0.88(46.54%)	0.000045535	3.389472462 Hartree
338	RY*(8)C9 s(25.72%)p0.06(1.65%)d2.82(72.63%)	0.000008085	2.673480612 Hartree
339	RY*(9)C9 s(20.57%)p0.31(6.41%)d3.55(73.02%)	0.000010851	2.405748319 Hartree
340	RY*(10)C9 s(2.34%)p4.36(10.18%)d37.44(87.49%)	0.000003692	1.824584062 Hartree
341	RY*(1)C10 s(0.41%)p99.99(91.74%)d19.03(7.85%)	0.004709856	1.279389848 Hartree
342	RY*(2)C10 s(0.00%)p1.00(98.55%)d0.01(1.45%)	0.002699577	0.706081426 Hartree
343	RY*(3)C10 s(0.01%)p99.99(8.94%)d99.99(91.05%)	0.000615482	1.823989859 Hartree
344	RY*(4)C10 s(0.04%)p99.99(81.72%)d99.99(18.24%)	0.000480301	0.829014798 Hartree
345	RY*(5)C10 s(96.32%)p0.00(0.07%)d0.04(3.61%)	0.000209459	1.138551244 Hartree
346	RY*(6)C10 s(0.00%)p1.00(1.50%)d65.49(98.49%)	0.000102618	2.365402519 Hartree
347	RY*(7)C10 s(54.46%)p0.00(0.18%)d0.83(45.36%)	0.000046733	3.422755602 Hartree
348	RY*(8)C10 s(5.83%)p1.42(8.27%)d14.73(85.90%)	0.000007609	2.010158117 Hartree
349	RY*(9)C10 s(1.07%)p8.28(8.89%)d83.86(90.04%)	0.000006201	1.880088100 Hartree
350	RY*(10)C10 s(41.88%)p0.01(0.28%)d1.38(57.84%)	0.000005263	2.969108161 Hartree
351	RY*(1)C11 s(0.27%)p99.99(92.43%)d26.61(7.29%)	0.004868659	1.275015958 Hartree
352	RY*(2)C11 s(0.22%)p99.99(98.36%)d6.34(1.42%)	0.002953912	0.713019852 Hartree
353	RY*(3)C11 s(0.01%)p1.00(4.28%)d22.36(95.71%)	0.000638756	1.894587590 Hartree
354	RY*(4)C11 s(0.28%)p99.99(84.84%)d53.24(14.88%)	0.000404083	0.783059813 Hartree
355	RY*(5)C11 s(97.37%)p0.00(0.47%)d0.02(2.16%)	0.000258434	1.139423353 Hartree
356	RY*(6)C11 s(0.14%)p10.08(1.46%)d99.99(98.39%)	0.000101649	2.367511625 Hartree
357	RY*(7)C11 s(55.06%)p0.01(0.38%)d0.81(44.56%)	0.000046302	3.433759902 Hartree
358	RY*(8)C11 s(1.36%)p4.84(6.59%)d67.65(92.05%)	0.000013024	2.111902329 Hartree
359	RY*(9)C11 s(0.49%)p21.58(10.51%)d99.99(89.01%)	0.000002043	1.718993320 Hartree
360	RY*(10)C11 s(44.83%)p0.02(0.82%)d1.21(54.35%)	0.000008873	3.035151086 Hartree
361	RY*(1)C12 s(0.05%)p99.99(93.11%)d99.99(6.84%)	0.004743381	1.290293966 Hartree
362	RY*(2)C12 s(0.03%)p99.99(97.90%)d82.21(2.07%)	0.002486404	0.789232264 Hartree
363	RY*(3)C12 s(0.06%)p2.43(0.15%)d99.99(99.79%)	0.000609048	1.959690973 Hartree
364	RY*(4)C12 s(0.01%)p1.00(93.92%)d0.06(6.07%)	0.000500684	0.734254671 Hartree
365	RY*(5)C12 s(93.12%)p0.00(0.26%)d0.07(6.62%)	0.000371378	1.193100762 Hartree
366	RY*(6)C12 s(3.97%)p0.57(2.26%)d23.60(93.77%)	0.000096848	2.332104761 Hartree
367	RY*(7)C12 s(55.91%)p0.01(0.43%)d0.78(43.66%)	0.000050805	3.397983904 Hartree
368	RY*(8)C12 s(2.62%)p1.88(4.93%)d35.29(92.45%)	0.000035355	2.121194619 Hartree
369	RY*(9)C12 s(42.07%)p0.01(0.42%)d1.37(57.51%)	0.000015094	3.099312247 Hartree
370	RY*(10)C12 s(2.21%)p3.06(6.75%)d41.27(91.05%)	0.000017632	2.004901000 Hartree
371	RY*(1)H13 s(100.00%)	0.001012673	0.602579374 Hartree
372	RY*(1)H14 s(100.00%)	0.000861668	0.564420098 Hartree
373	RY*(1)H15 s(100.00%)	0.000831101	0.562593479 Hartree
374	RY*(1)H16 s(100.00%)	0.000865291	0.562333034 Hartree
375	RY*(1)H17 s(100.00%)	0.001171017	0.704262466 Hartree
376	RY*(1)C18 s(1.16%)p80.62(93.24%)d4.85(5.61%)	0.005746225	1.308088530 Hartree
377	RY*(2)C18 s(0.06%)p99.99(95.90%)d71.53(4.05%)	0.003893352	1.002146334 Hartree
378	RY*(3)C18 s(0.04%)p99.99(93.52%)d99.99(6.44%)	0.002319116	0.981447489 Hartree
379	RY*(4)C18 s(93.76%)p0.02(1.51%)d0.05(4.74%)	0.000906058	1.234259476 Hartree
380	RY*(5)C18 s(1.06%)p0.18(0.20%)d93.14(98.74%)	0.000672734	1.937700495 Hartree
381	RY*(6)C18 s(3.02%)p2.00(6.03%)d30.14(90.95%)	0.000415547	2.244149571 Hartree
382	RY*(7)C18 s(0.23%)p18.72(4.23%)d99.99(95.54%)	0.000136298	2.154054100 Hartree
383	RY*(8)C18 s(30.71%)p0.10(3.02%)d2.16(66.27%)	0.000092776	2.968845222 Hartree
384	RY*(9)C18 s(38.05%)p0.06(2.36%)d1.57(59.59%)	0.000049875	3.127582066 Hartree
385	RY*(10)C18 s(31.96%)p0.00(0.11%)d2.13(67.93%)	0.000034053	2.944260811 Hartree
386	RY*(1)C19 s(0.05%)p99.99(93.26%)d99.99(6.69%)	0.004843981	1.294308716 Hartree
387	RY*(2)C19 s(0.04%)p99.99(97.62%)d55.86(2.34%)	0.002421905	0.804614366 Hartree
388	RY*(3)C19 s(0.11%)p99.99(32.94%)d99.99(66.95%)	0.000643732	1.538909752 Hartree
389	RY*(4)C19 s(5.69%)p10.49(59.67%)d6.09(34.64%)	0.000597949	1.152789788 Hartree
390	RY*(5)C19 s(88.38%)p0.04(3.57%)d0.09(8.05%)	0.000313615	1.202476898 Hartree
391	RY*(6)C19 s(3.39%)p0.67(2.28%)d27.86(94.33%)	0.000098251	2.346241777 Hartree
392	RY*(7)C19 s(23.40%)p0.02(0.51%)d3.25(76.09%)	0.000050963	2.659854462 Hartree
393	RY*(8)C19 s(52.83%)p0.03(1.68%)d0.86(45.49%)	0.000039438	3.100016517 Hartree
394	RY*(9)C19 s(7.64%)p0.81(6.20%)d11.28(86.16%)	0.000029917	2.350809282 Hartree
395	RY*(10)C19 s(18.52%)p0.13(2.39%)d4.27(79.09%)	0.000009540	2.492765374 Hartree
396	RY*(1)C20 s(0.27%)p99.99(92.45%)d26.47(7.27%)	0.004869854	1.278774415 Hartree
397	RY*(2)C20 s(0.19%)p99.99(98.38%)d7.64(1.43%)	0.002921313	0.716655678 Hartree
398	RY*(3)C20 s(0.00%)p1.00(5.07%)d18.73(94.93%)	0.000636879	1.887523662 Hartree
399	RY*(4)C20 s(0.12%)p99.99(84.92%)d99.99(14.96%)	0.000423081	0.789763165 Hartree
400	RY*(5)C20 s(97.64%)p0.00(0.31%)d0.02(2.05%)	0.000256631	1.140421673 Hartree
401	RY*(6)C20 s(0.06%)p24.32(1.49%)d99.99(98.45%)	0.000101319	2.369335533 Hartree
402	RY*(7)C20 s(54.37%)p0.01(0.35%)d0.83(45.27%)	0.000046259	3.426362833 Hartree
403	RY*(8)C20 s(6.32%)p1.14(7.22%)d13.69(86.47%)	0.000013857	2.190842822 Hartree
404	RY*(9)C20 s(1.07%)p9.18(9.85%)d83.04(89.08%)	0.000002506	1.743644348 Hartree
405	RY*(10)C20 s(39.98%)p0.00(0.10%)d1.50(59.92%)	0.000006867	2.970858363 Hartree
406	RY*(1)C21 s(0.42%)p99.99(91.73%)d18.75(7.85%)	0.004699418	1.283052001 Hartree
407	RY*(2)C21 s(0.00%)p1.00(98.54%)d0.01(1.46%)	0.002695494	0.709954558 Hartree
408	RY*(3)C21 s(0.02%)p99.99(4.88%)d99.99(95.09%)	0.000620475	1.882827295 Hartree
409	RY*(4)C21 s(0.00%)p1.00(85.77%)d0.17(14.23%)	0.000486305	0.777831152 Hartree
410	RY*(5)C21 s(96.43%)p0.00(0.06%)d0.04(3.51%)	0.000211504	1.137236822 Hartree
411	RY*(6)C21 s(0.01%)p99.99(1.52%)d99.99(98.47%)	0.000102884	2.368438712 Hartree
412	RY*(7)C21 s(54.64%)p0.00(0.17%)d0.83(45.19%)	0.000046714	3.430624630 Hartree
413	RY*(8)C21 s(5.69%)p1.07(6.08%)d15.49(88.23%)	0.000011882	2.212940667 Hartree
414	RY*(9)C21 s(0.00%)p1.00(9.37%)d9.67(90.62%)	0.000000640	1.719393532 Hartree
415	RY*(10)C21 s(42.81%)p0.05(2.01%)d1.29(55.17%)	0.000006473	2.938549798 Hartree
416	RY*(1)C22 s(0.27%)p99.99(92.42%)d26.77(7.31%)	0.004838836	1.278046151 Hartree
417	RY*(2)C22 s(0.18%)p99.99(98.38%)d7.87(1.44%)	0.002918839	0.715285806 Hartree
418	RY*(3)C22 s(0.00%)p1.00(0.30%)d99.99(99.70%)	0.000629375	1.950546214 Hartree
419	RY*(4)C22 s(0.35%)p99.99(89.26%)d29.61(10.39%)	0.000440150	0.725546129 Hartree
420	RY*(5)C22 s(97.30%)p0.01(0.50%)d0.02(2.20%)	0.000257484	1.144430685 Hartree
421	RY*(6)C22 s(0.07%)p21.91(1.49%)d99.99(98.44%)	0.000100604	2.369100612 Hartree
422	RY*(7)C22 s(55.00%)p0.01(0.36%)d0.81(44.64%)	0.000045962	3.433329814 Hartree
423	RY*(8)C22 s(45.02%)p0.02(0.89%)d1.20(54.10%)	0.000008782	3.039806894 Hartree
424	RY*(9)C22 s(1.48%)p4.35(6.44%)d62.17(92.08%)	0.000012837	2.119466864 Hartree
425	RY*(10)C22 s(0.37%)p27.45(10.11%)d99.99(89.53%)	0.000001208	1.722656168 Hartree
426	RY*(1)C23 s(0.03%)p99.99(93.10%)d99.99(6.86%)	0.004749897	1.290055233 Hartree
427	RY*(2)C23 s(0.06%)p99.99(97.69%)d36.85(2.25%)	0.002451587	0.792783294 Hartree
428	RY*(3)C23 s(0.75%)p35.30(26.48%)d97.02(72.77%)	0.000693267	1.606740038 Hartree
429	RY*(4)C23 s(0.02%)p99.99(67.77%)d99.99(32.21%)	0.000527055	1.061780845 Hartree
430	RY*(5)C23 s(92.53%)p0.01(0.82%)d0.07(6.65%)	0.000368499	1.170056733 Hartree
431	RY*(6)C23 s(4.30%)p0.48(2.08%)d21.78(93.62%)	0.000096435	2.338186071 Hartree
432	RY*(7)C23 s(56.92%)p0.01(0.51%)d0.75(42.56%)	0.000048716	3.387293669 Hartree
433	RY*(8)C23 s(13.46%)p0.28(3.73%)d6.15(82.81%)	0.000025382	2.171849527 Hartree
434	RY*(9)C23 s(10.77%)p0.59(6.39%)d7.70(82.84%)	0.000028589	2.443472973 Hartree
435	RY*(10)C23 s(21.20%)p0.07(1.55%)d3.64(77.25%)	0.000009071	2.576135764 Hartree
436	RY*(1)H24 s(100.00%)	0.001039089	0.607373667 Hartree
437	RY*(1)H25 s(100.00%)	0.000876330	0.566527963 Hartree
438	RY*(1)H26 s(100.00%)	0.000839896	0.565680075 Hartree
439	RY*(1)H27 s(100.00%)	0.000861799	0.567783211 Hartree
440	RY*(1)H28 s(100.00%)	0.000985830	0.615327689 Hartree
441	RY*(1)C29 s(24.37%)p3.10(75.52%)d0.00(0.10%)	0.025154074	0.727405949 Hartree
442	RY*(2)C29 s(0.10%)p99.99(60.12%)d99.99(39.79%)	0.005140812	1.602983724 Hartree
443	RY*(3)C29 s(0.01%)p1.00(71.27%)d0.40(28.72%)	0.003301444	1.150230472 Hartree
444	RY*(4)C29 s(66.06%)p0.33(22.04%)d0.18(11.90%)	0.002169967	1.693997287 Hartree
445	RY*(5)C29 s(3.81%)p10.17(38.70%)d15.10(57.49%)	0.001499541	1.950109101 Hartree
446	RY*(6)C29 s(0.00%)p1.00(28.52%)d2.51(71.48%)	0.000680778	1.944334711 Hartree
447	RY*(7)C29 s(12.90%)p0.07(0.93%)d6.68(86.17%)	0.000398841	2.256630805 Hartree
448	RY*(8)C29 s(0.21%)p2.78(0.58%)d99.99(99.21%)	0.000367175	2.012457607 Hartree
449	RY*(9)C29 s(91.76%)p0.03(2.72%)d0.06(5.52%)	0.000113155	4.122043081 Hartree
450	RY*(10)C29 s(0.53%)p0.55(0.29%)d99.99(99.17%)	0.000049318	2.462076037 Hartree
451	RY*(1)O30 s(0.18%)p99.99(99.74%)d0.46(0.08%)	0.002556691	1.277652915 Hartree
452	RY*(2)O30 s(87.05%)p0.08(6.96%)d0.07(5.99%)	0.000867982	2.271449703 Hartree
453	RY*(3)O30 s(0.03%)p99.99(98.96%)d34.72(1.01%)	0.000313128	1.102973712 Hartree
454	RY*(4)O30 s(17.48%)p1.89(33.08%)d2.83(49.44%)	0.000116796	1.898904184 Hartree
455	RY*(5)O30 s(30.89%)p1.62(49.92%)d0.62(19.19%)	0.000095261	1.828893180 Hartree
456	RY*(6)O30 s(0.01%)p7.80(0.08%)d99.99(99.91%)	0.000011991	1.807602883 Hartree
457	RY*(7)O30 s(0.18%)p8.11(1.45%)d99.99(98.37%)	0.000014872	2.079241230 Hartree
458	RY*(8)O30 s(0.04%)p38.42(1.35%)d99.99(98.62%)	0.000003033	1.975526115 Hartree
459	RY*(9)O30 s(2.01%)p0.01(0.02%)d48.66(97.97%)	0.000005474	1.887889276 Hartree
460	RY*(10)O30 s(62.17%)p0.15(9.44%)d0.46(28.39%)	0.000012320	3.543537701 Hartree
461	RY*(1)C31 s(2.35%)p39.07(91.89%)d2.45(5.76%)	0.005741313	1.325185812 Hartree
462	RY*(2)C31 s(0.03%)p99.99(95.88%)d99.99(4.09%)	0.004584591	1.149140323 Hartree
463	RY*(3)C31 s(0.00%)p1.00(96.06%)d0.04(3.94%)	0.003511688	0.842330855 Hartree
464	RY*(4)C31 s(96.28%)p0.03(2.48%)d0.01(1.24%)	0.000695695	1.225516818 Hartree
465	RY*(5)C31 s(0.01%)p1.00(0.23%)d99.99(99.76%)	0.000662951	1.952540066 Hartree
466	RY*(6)C31 s(0.90%)p4.63(4.16%)d99.99(94.94%)	0.000158417	2.440305456 Hartree
467	RY*(7)C31 s(0.01%)p1.00(3.74%)d25.75(96.26%)	0.000112584	2.013443821 Hartree
468	RY*(8)C31 s(16.82%)p0.25(4.14%)d4.70(79.04%)	0.000098785	2.736657489 Hartree
469	RY*(9)C31 s(1.77%)p0.31(0.55%)d55.24(97.68%)	0.000045481	2.424006561 Hartree
470	RY*(10)C31 s(81.88%)p0.01(0.97%)d0.21(17.15%)	0.000042108	3.959653756 Hartree
471	RY*(1)C32 s(0.03%)p99.99(93.31%)d99.99(6.66%)	0.004705961	1.306050450 Hartree
472	RY*(2)C32 s(0.15%)p99.99(98.39%)d9.55(1.46%)	0.002965205	0.844227894 Hartree
473	RY*(3)C32 s(0.00%)p1.00(21.58%)d3.63(78.42%)	0.000690240	1.683339149 Hartree
474	RY*(4)C32 s(0.00%)p1.00(71.20%)d0.40(28.80%)	0.000469561	1.003224291 Hartree
475	RY*(5)C32 s(97.35%)p0.00(0.27%)d0.02(2.38%)	0.000278974	1.177792074 Hartree
476	RY*(6)C32 s(1.08%)p1.39(1.50%)d90.00(97.41%)	0.000113822	2.421860532 Hartree
477	RY*(7)C32 s(1.65%)p3.93(6.48%)d55.69(91.87%)	0.000037345	2.279846744 Hartree
478	RY*(8)C32 s(65.62%)p0.00(0.08%)d0.52(34.30%)	0.000046694	3.575155398 Hartree
479	RY*(9)C32 s(34.14%)p0.00(0.07%)d1.93(65.79%)	0.000009561	2.919474449 Hartree
480	RY*(10)C32 s(0.00%)p1.00(7.26%)d12.78(92.74%)	0.000006231	1.785029071 Hartree
481	RY*(1)C33 s(0.36%)p99.99(92.40%)d20.13(7.24%)	0.004888453	1.285421541 Hartree
482	RY*(2)C33 s(0.18%)p99.99(98.46%)d7.39(1.36%)	0.002897413	0.724138549 Hartree
483	RY*(3)C33 s(0.00%)p1.00(1.70%)d57.91(98.30%)	0.000607382	1.936226341 Hartree
484	RY*(4)C33 s(0.01%)p1.00(87.97%)d0.14(12.02%)	0.000441096	0.750214706 Hartree
485	RY*(5)C33 s(97.58%)p0.00(0.23%)d0.02(2.19%)	0.000283475	1.168652183 Hartree
486	RY*(6)C33 s(0.18%)p7.96(1.41%)d99.99(98.41%)	0.000105755	2.376821906 Hartree
487	RY*(7)C33 s(54.32%)p0.01(0.33%)d0.84(45.36%)	0.000045536	3.420641732 Hartree
488	RY*(8)C33 s(1.40%)p4.70(6.58%)d65.75(92.02%)	0.000012686	2.126600144 Hartree
489	RY*(9)C33 s(45.88%)p0.02(0.72%)d1.16(53.40%)	0.000007522	3.056684390 Hartree
490	RY*(10)C33 s(0.14%)p74.72(10.34%)d99.99(89.53%)	0.000001184	1.716442835 Hartree
491	RY*(1)C34 s(0.41%)p99.99(91.64%)d19.58(7.96%)	0.004675092	1.289697160 Hartree
492	RY*(2)C34 s(0.01%)p1.00(98.58%)d0.01(1.41%)	0.002720202	0.711447250 Hartree
493	RY*(3)C34 s(0.00%)p1.00(0.75%)d99.99(99.25%)	0.000622848	1.944673854 Hartree
494	RY*(4)C34 s(0.00%)p1.00(89.39%)d0.12(10.61%)	0.000448811	0.730418533 Hartree
495	RY*(5)C34 s(96.59%)p0.00(0.06%)d0.03(3.35%)	0.000218119	1.143825810 Hartree
496	RY*(6)C34 s(0.02%)p66.04(1.46%)d99.99(98.52%)	0.000102189	2.376724718 Hartree
497	RY*(7)C34 s(54.93%)p0.00(0.16%)d0.82(44.91%)	0.000046883	3.434692200 Hartree
498	RY*(8)C34 s(8.54%)p0.64(5.46%)d10.07(86.00%)	0.000011555	2.285898890 Hartree
499	RY*(9)C34 s(0.02%)p99.99(9.90%)d99.99(90.08%)	0.000000449	1.719708831 Hartree
500	RY*(10)C34 s(39.53%)p0.07(2.74%)d1.46(57.73%)	0.000007708	2.872694463 Hartree
501	RY*(1)C35 s(0.24%)p99.99(92.48%)d29.71(7.27%)	0.004895124	1.284148421 Hartree
502	RY*(2)C35 s(0.44%)p99.99(98.20%)d3.12(1.36%)	0.002951072	0.720290799 Hartree
503	RY*(3)C35 s(0.00%)p1.00(10.40%)d8.62(89.60%)	0.000635414	1.823459210 Hartree
504	RY*(4)C35 s(0.00%)p1.00(80.34%)d0.24(19.66%)	0.000445937	0.861668591 Hartree
505	RY*(5)C35 s(97.80%)p0.00(0.45%)d0.02(1.75%)	0.000292158	1.148062059 Hartree
506	RY*(6)C35 s(0.16%)p9.04(1.44%)d99.99(98.41%)	0.000101909	2.377688579 Hartree
507	RY*(7)C35 s(54.22%)p0.01(0.29%)d0.84(45.48%)	0.000046209	3.421751121 Hartree
508	RY*(8)C35 s(0.00%)p1.00(9.30%)d9.75(90.69%)	0.000003777	1.733110696 Hartree
509	RY*(9)C35 s(41.19%)p0.00(0.03%)d1.43(58.78%)	0.000006898	3.000899140 Hartree
510	RY*(10)C35 s(5.97%)p1.21(7.21%)d14.54(86.82%)	0.000013659	2.209117612 Hartree
511	RY*(1)C36 s(0.03%)p99.99(93.53%)d99.99(6.44%)	0.004992470	1.318731546 Hartree
512	RY*(2)C36 s(0.26%)p99.99(97.24%)d9.45(2.50%)	0.002540010	0.859312216 Hartree
513	RY*(3)C36 s(0.00%)p1.00(97.40%)d0.03(2.60%)	0.000823823	0.762600669 Hartree
514	RY*(4)C36 s(0.01%)p1.00(1.88%)d52.13(98.11%)	0.000623768	1.947702284 Hartree
515	RY*(5)C36 s(99.39%)p0.00(0.35%)d0.00(0.26%)	0.000388621	1.157827523 Hartree
516	RY*(6)C36 s(1.86%)p1.18(2.19%)d51.65(95.95%)	0.000102281	2.426475841 Hartree
517	RY*(7)C36 s(0.32%)p2.41(0.78%)d99.99(98.90%)	0.000062994	1.850658617 Hartree
518	RY*(8)C36 s(1.12%)p1.33(1.49%)d86.97(97.39%)	0.000046061	2.459226912 Hartree
519	RY*(9)C36 s(42.09%)p0.08(3.28%)d1.30(54.63%)	0.000053260	3.024511891 Hartree
520	RY*(10)C36 s(54.97%)p0.04(1.98%)d0.78(43.05%)	0.000024980	3.432169773 Hartree
521	RY*(1)H37 s(100.00%)	0.001076816	0.674600986 Hartree
522	RY*(1)H38 s(100.00%)	0.000876108	0.571306950 Hartree
523	RY*(1)H39 s(100.00%)	0.000853122	0.568727649 Hartree
524	RY*(1)H40 s(100.00%)	0.000867048	0.571771535 Hartree
525	RY*(1)H41 s(100.00%)	0.002132231	0.680993672 Hartree
526	RY*(1)C42 s(1.18%)p78.86(93.27%)d4.69(5.55%)	0.005798501	1.305167446 Hartree
527	RY*(2)C42 s(0.02%)p99.99(96.07%)d99.99(3.90%)	0.003915354	1.000983611 Hartree
528	RY*(3)C42 s(0.00%)p1.00(93.17%)d0.07(6.83%)	0.002341215	0.990734855 Hartree
529	RY*(4)C42 s(92.37%)p0.02(1.60%)d0.07(6.02%)	0.000917071	1.266564247 Hartree
530	RY*(5)C42 s(1.72%)p0.05(0.09%)d57.14(98.19%)	0.000675520	1.932096546 Hartree
531	RY*(6)C42 s(3.66%)p1.69(6.19%)d24.63(90.15%)	0.000414644	2.243134231 Hartree
532	RY*(7)C42 s(0.46%)p9.35(4.26%)d99.99(95.29%)	0.000139113	2.147442262 Hartree
533	RY*(8)C42 s(29.04%)p0.11(3.18%)d2.33(67.78%)	0.000091568	2.951659341 Hartree
534	RY*(9)C42 s(63.03%)p0.02(1.04%)d0.57(35.93%)	0.000038633	3.559631453 Hartree
535	RY*(10)C42 s(8.55%)p0.14(1.23%)d10.56(90.22%)	0.000047536	2.550190418 Hartree
536	RY*(1)C43 s(0.02%)p99.99(93.09%)d99.99(6.89%)	0.004754031	1.281873163 Hartree
537	RY*(2)C43 s(0.12%)p99.99(97.57%)d19.65(2.31%)	0.002454574	0.788569173 Hartree
538	RY*(3)C43 s(0.86%)p33.79(29.09%)d81.38(70.05%)	0.000702584	1.570570822 Hartree
539	RY*(4)C43 s(1.85%)p35.19(65.19%)d17.79(32.96%)	0.000524623	1.078474079 Hartree
540	RY*(5)C43 s(90.92%)p0.01(0.71%)d0.09(8.37%)	0.000391154	1.177211377 Hartree
541	RY*(6)C43 s(4.12%)p0.50(2.07%)d22.77(93.81%)	0.000095956	2.335438762 Hartree
542	RY*(7)C43 s(55.86%)p0.01(0.56%)d0.78(43.58%)	0.000049758	3.366863662 Hartree
543	RY*(8)C43 s(2.09%)p2.76(5.77%)d43.99(92.13%)	0.000033886	2.205739091 Hartree
544	RY*(9)C43 s(4.14%)p1.41(5.85%)d21.75(90.02%)	0.000015191	1.985056368 Hartree
545	RY*(10)C43 s(40.06%)p0.01(0.22%)d1.49(59.72%)	0.000012308	3.034774353 Hartree
546	RY*(1)C44 s(0.27%)p99.99(92.41%)d27.57(7.32%)	0.004829682	1.276234977 Hartree
547	RY*(2)C44 s(0.19%)p99.99(98.37%)d7.50(1.44%)	0.002930595	0.714175384 Hartree
548	RY*(3)C44 s(0.04%)p5.53(0.20%)d99.99(99.76%)	0.000633782	1.949929024 Hartree
549	RY*(4)C44 s(0.42%)p99.99(89.13%)d24.76(10.45%)	0.000430971	0.724295452 Hartree
550	RY*(5)C44 s(97.12%)p0.01(0.57%)d0.02(2.31%)	0.000257283	1.142607539 Hartree
551	RY*(6)C44 s(0.09%)p16.19(1.48%)d99.99(98.43%)	0.000100843	2.367976892 Hartree
552	RY*(7)C44 s(54.88%)p0.01(0.37%)d0.82(44.76%)	0.000046145	3.431875860 Hartree
553	RY*(8)C44 s(45.48%)p0.02(0.83%)d1.18(53.69%)	0.000008621	3.048490719 Hartree
554	RY*(9)C44 s(1.51%)p4.25(6.43%)d60.79(92.05%)	0.000012677	2.117522983 Hartree
555	RY*(10)C44 s(0.03%)p99.99(10.35%)d99.99(89.62%)	0.000001357	1.708905734 Hartree
556	RY*(1)C45 s(0.42%)p99.99(91.74%)d18.68(7.84%)	0.004704165	1.281452568 Hartree
557	RY*(2)C45 s(0.00%)p1.00(98.54%)d0.01(1.46%)	0.002699394	0.708705873 Hartree
558	RY*(3)C45 s(0.05%)p99.99(7.38%)d99.99(92.56%)	0.000621126	1.846919149 Hartree
559	RY*(4)C45 s(0.00%)p1.00(83.34%)d0.20(16.66%)	0.000489029	0.809855947 Hartree
560	RY*(5)C45 s(96.39%)p0.00(0.06%)d0.04(3.55%)	0.000211753	1.135003203 Hartree
561	RY*(6)C45 s(0.01%)p99.99(1.51%)d99.99(98.48%)	0.000102981	2.367082261 Hartree
562	RY*(7)C45 s(54.74%)p0.00(0.18%)d0.82(45.08%)	0.000046725	3.432095949 Hartree
563	RY*(8)C45 s(4.56%)p1.40(6.39%)d19.52(89.05%)	0.000012089	2.181410232 Hartree
564	RY*(9)C45 s(0.09%)p99.01(9.29%)d99.99(90.62%)	0.000000737	1.721023045 Hartree
565	RY*(10)C45 s(43.77%)p0.04(1.69%)d1.25(54.54%)	0.000006262	2.963340447 Hartree
566	RY*(1)C46 s(0.27%)p99.99(92.47%)d26.59(7.26%)	0.004881060	1.276711878 Hartree
567	RY*(2)C46 s(0.19%)p99.99(98.38%)d7.50(1.43%)	0.002940590	0.715424818 Hartree
568	RY*(3)C46 s(0.01%)p99.99(5.27%)d99.99(94.72%)	0.000642128	1.884751702 Hartree
569	RY*(4)C46 s(0.14%)p99.99(84.64%)d99.99(15.22%)	0.000421194	0.791569133 Hartree
570	RY*(5)C46 s(97.60%)p0.00(0.31%)d0.02(2.09%)	0.000259215	1.134713677 Hartree
571	RY*(6)C46 s(0.07%)p21.77(1.48%)d99.99(98.45%)	0.000101380	2.367646554 Hartree
572	RY*(7)C46 s(54.83%)p0.01(0.34%)d0.82(44.83%)	0.000046547	3.435015181 Hartree
573	RY*(8)C46 s(2.19%)p2.68(5.88%)d41.95(91.93%)	0.000012440	2.154593982 Hartree
574	RY*(9)C46 s(0.01%)p99.99(9.98%)d99.99(90.01%)	0.000002858	1.716920931 Hartree
575	RY*(10)C46 s(44.72%)p0.03(1.38%)d1.21(53.90%)	0.000008251	3.022918962 Hartree
576	RY*(1)C47 s(0.05%)p99.99(93.24%)d99.99(6.71%)	0.004833352	1.293847141 Hartree
577	RY*(2)C47 s(0.04%)p99.99(97.69%)d62.44(2.27%)	0.002440326	0.801321198 Hartree
578	RY*(3)C47 s(0.39%)p99.99(44.56%)d99.99(55.06%)	0.000634878	1.392986556 Hartree
579	RY*(4)C47 s(4.19%)p11.69(48.99%)d11.17(46.82%)	0.000604427	1.303689270 Hartree
580	RY*(5)C47 s(90.02%)p0.03(2.90%)d0.08(7.07%)	0.000324984	1.207797616 Hartree
581	RY*(6)C47 s(3.09%)p0.73(2.27%)d30.64(94.65%)	0.000098571	2.345772594 Hartree
582	RY*(7)C47 s(3.10%)p0.84(2.61%)d30.40(94.29%)	0.000046472	2.069945805 Hartree
583	RY*(8)C47 s(44.57%)p0.02(1.03%)d1.22(54.40%)	0.000050305	3.098138144 Hartree
584	RY*(9)C47 s(35.75%)p0.12(4.45%)d1.67(59.80%)	0.000025459	2.958424759 Hartree
585	RY*(10)C47 s(18.84%)p0.13(2.39%)d4.18(78.77%)	0.000010675	2.517988177 Hartree
586	RY*(1)H48 s(100.00%)	0.000993259	0.613514002 Hartree
587	RY*(1)H49 s(100.00%)	0.000859283	0.566520212 Hartree
588	RY*(1)H50 s(100.00%)	0.000836304	0.564531264 Hartree
589	RY*(1)H51 s(100.00%)	0.000876997	0.565439812 Hartree
590	RY*(1)H52 s(100.00%)	0.000974863	0.589369266 Hartree
591	RY*(1)C53 s(0.87%)p99.99(93.42%)d6.55(5.71%)	0.005597005	1.320840630 Hartree
592	RY*(2)C53 s(0.09%)p99.99(95.93%)d43.51(3.98%)	0.004722675	1.153248487 Hartree
593	RY*(3)C53 s(2.31%)p35.26(81.38%)d7.07(16.31%)	0.001337097	1.022167191 Hartree
594	RY*(4)C53 s(95.22%)p0.04(3.42%)d0.01(1.36%)	0.000773820	1.168712544 Hartree
595	RY*(5)C53 s(0.05%)p22.58(1.14%)d99.99(98.81%)	0.000666081	1.935049231 Hartree
596	RY*(6)C53 s(0.27%)p57.41(15.30%)d99.99(84.43%)	0.000369490	1.939149370 Hartree
597	RY*(7)C53 s(0.89%)p4.32(3.87%)d99.99(95.24%)	0.000127910	2.322631714 Hartree
598	RY*(8)C53 s(35.61%)p0.08(2.77%)d1.73(61.63%)	0.000094837	3.023168417 Hartree
599	RY*(9)C53 s(38.73%)p0.07(2.81%)d1.51(58.46%)	0.000051912	3.138295691 Hartree
600	RY*(10)C53 s(25.99%)p0.00(0.07%)d2.84(73.93%)	0.000025603	2.815238871 Hartree
601	RY*(1)C54 s(0.06%)p99.99(93.17%)d99.99(6.76%)	0.004750853	1.307749684 Hartree
602	RY*(2)C54 s(0.07%)p99.99(97.67%)d33.47(2.26%)	0.002487625	0.825148278 Hartree
603	RY*(3)C54 s(0.07%)p99.99(33.61%)d99.99(66.32%)	0.000641412	1.522985549 Hartree
604	RY*(4)C54 s(5.20%)p11.51(59.86%)d6.72(34.94%)	0.000573410	1.140925367 Hartree
605	RY*(5)C54 s(91.67%)p0.03(2.59%)d0.06(5.73%)	0.000353114	1.139067974 Hartree
606	RY*(6)C54 s(3.21%)p0.64(2.07%)d29.49(94.72%)	0.000099895	2.397688981 Hartree
607	RY*(7)C54 s(59.40%)p0.01(0.57%)d0.67(40.03%)	0.000048086	3.429144953 Hartree
608	RY*(8)C54 s(2.01%)p2.03(4.08%)d46.65(93.91%)	0.000048485	2.094523610 Hartree
609	RY*(9)C54 s(16.24%)p0.35(5.64%)d4.81(78.12%)	0.000023487	2.421925413 Hartree
610	RY*(10)C54 s(22.10%)p0.04(0.86%)d3.49(77.04%)	0.000010729	2.648204410 Hartree
611	RY*(1)C55 s(0.31%)p99.99(92.46%)d23.38(7.23%)	0.004905401	1.280541108 Hartree
612	RY*(2)C55 s(0.26%)p99.99(98.35%)d5.23(1.39%)	0.002896407	0.717497890 Hartree
613	RY*(3)C55 s(0.01%)p1.00(1.13%)d87.80(98.86%)	0.000627563	1.941089665 Hartree
614	RY*(4)C55 s(1.46%)p59.70(87.19%)d7.77(11.35%)	0.000418376	0.746731513 Hartree
615	RY*(5)C55 s(96.19%)p0.02(1.60%)d0.02(2.22%)	0.000263565	1.146366282 Hartree
616	RY*(6)C55 s(0.16%)p8.74(1.44%)d99.99(98.39%)	0.000103039	2.371773345 Hartree
617	RY*(7)C55 s(54.81%)p0.01(0.38%)d0.82(44.81%)	0.000045609	3.428774115 Hartree
618	RY*(8)C55 s(12.22%)p0.56(6.90%)d6.62(80.88%)	0.000013597	2.298892170 Hartree
619	RY*(9)C55 s(4.49%)p2.10(9.45%)d19.16(86.06%)	0.000002142	1.841678693 Hartree
620	RY*(10)C55 s(30.12%)p0.04(1.24%)d2.28(68.63%)	0.000008984	2.744269341 Hartree
621	RY*(1)C56 s(0.41%)p99.99(91.65%)d19.41(7.94%)	0.004686094	1.284535380 Hartree
622	RY*(2)C56 s(0.00%)p1.00(98.59%)d0.01(1.41%)	0.002689364	0.706634138 Hartree
623	RY*(3)C56 s(0.02%)p99.99(7.77%)d99.99(92.22%)	0.000622090	1.843119196 Hartree
624	RY*(4)C56 s(0.01%)p99.99(83.08%)d99.99(16.91%)	0.000504627	0.814536558 Hartree
625	RY*(5)C56 s(96.45%)p0.00(0.06%)d0.04(3.49%)	0.000209573	1.149131239 Hartree
626	RY*(6)C56 s(0.01%)p99.99(1.46%)d99.99(98.53%)	0.000101324	2.370770634 Hartree
627	RY*(7)C56 s(53.45%)p0.00(0.19%)d0.87(46.37%)	0.000046752	3.402637400 Hartree
628	RY*(8)C56 s(5.97%)p1.36(8.13%)d14.40(85.90%)	0.000010370	2.079628767 Hartree
629	RY*(9)C56 s(24.09%)p0.13(3.14%)d3.02(72.77%)	0.000005829	2.543295397 Hartree
630	RY*(10)C56 s(19.63%)p0.31(6.06%)d3.78(74.30%)	0.000003100	2.264062325 Hartree
631	RY*(1)C57 s(0.26%)p99.99(92.66%)d27.06(7.08%)	0.004964922	1.277219936 Hartree
632	RY*(2)C57 s(0.35%)p99.99(98.19%)d4.22(1.46%)	0.002929044	0.718141923 Hartree
633	RY*(3)C57 s(0.01%)p4.06(0.05%)d99.99(99.94%)	0.000635973	1.957253012 Hartree
634	RY*(4)C57 s(0.02%)p99.99(89.55%)d99.99(10.43%)	0.000427681	0.725192689 Hartree
635	RY*(5)C57 s(97.68%)p0.00(0.34%)d0.02(1.99%)	0.000273736	1.162985646 Hartree
636	RY*(6)C57 s(0.08%)p19.97(1.58%)d99.99(98.34%)	0.000099596	2.366490591 Hartree
637	RY*(7)C57 s(53.07%)p0.01(0.32%)d0.88(46.62%)	0.000044925	3.385702746 Hartree
638	RY*(8)C57 s(8.74%)p0.62(5.44%)d9.82(85.82%)	0.000007770	2.179670618 Hartree
639	RY*(9)C57 s(21.93%)p0.27(5.81%)d3.29(72.26%)	0.000010695	2.481293943 Hartree
640	RY*(10)C57 s(17.91%)p0.35(6.20%)d4.24(75.89%)	0.000004113	2.265193231 Hartree
641	RY*(1)C58 s(0.11%)p99.99(93.10%)d64.58(6.79%)	0.004717908	1.304758906 Hartree
642	RY*(2)C58 s(0.09%)p99.99(97.40%)d29.09(2.52%)	0.002425016	0.843564508 Hartree
643	RY*(3)C58 s(0.13%)p99.99(62.41%)d99.99(37.46%)	0.000753262	1.154076061 Hartree
644	RY*(4)C58 s(0.83%)p40.22(33.40%)d79.20(65.77%)	0.000580520	1.531177925 Hartree
645	RY*(5)C58 s(97.08%)p0.00(0.21%)d0.03(2.70%)	0.000331036	1.131571863 Hartree
646	RY*(6)C58 s(3.30%)p0.71(2.34%)d28.56(94.35%)	0.000097363	2.420855542 Hartree
647	RY*(7)C58 s(7.11%)p0.66(4.69%)d12.41(88.21%)	0.000048656	2.196181674 Hartree
648	RY*(8)C58 s(42.43%)p0.02(0.75%)d1.34(56.81%)	0.000049775	3.031525496 Hartree
649	RY*(9)C58 s(47.23%)p0.02(1.04%)d1.10(51.73%)	0.000016853	3.161491979 Hartree
650	RY*(10)C58 s(1.74%)p2.75(4.78%)d53.76(93.48%)	0.000017236	2.187940718 Hartree
651	RY*(1)H59 s(100.00%)	0.001270856	0.780428763 Hartree
652	RY*(1)H60 s(100.00%)	0.000854061	0.565896287 Hartree
653	RY*(1)H61 s(100.00%)	0.000837333	0.564866235 Hartree
654	RY*(1)H62 s(100.00%)	0.000860309	0.567415952 Hartree
655	RY*(1)H63 s(100.00%)	0.001104326	0.682415390 Hartree
656	RY*(1)C64 s(2.28%)p40.71(92.90%)d2.11(4.82%)	0.005670816	1.269420321 Hartree
657	RY*(2)C64 s(0.05%)p99.99(95.53%)d90.56(4.42%)	0.005134103	1.268004156 Hartree
658	RY*(3)C64 s(7.99%)p10.97(87.67%)d0.54(4.34%)	0.003510308	0.877186360 Hartree
659	RY*(4)C64 s(88.74%)p0.11(9.93%)d0.02(1.33%)	0.000945009	1.134334820 Hartree
660	RY*(5)C64 s(0.53%)p1.01(0.53%)d99.99(98.94%)	0.000663869	1.957171075 Hartree
661	RY*(6)C64 s(0.28%)p16.21(4.60%)d99.99(95.11%)	0.000162658	2.046307986 Hartree
662	RY*(7)C64 s(0.61%)p5.56(3.37%)d99.99(96.02%)	0.000128750	2.415328839 Hartree
663	RY*(8)C64 s(20.32%)p0.20(4.01%)d3.72(75.66%)	0.000094787	2.820537587 Hartree
664	RY*(9)C64 s(30.72%)p0.04(1.19%)d2.22(68.09%)	0.000058220	3.027523635 Hartree
665	RY*(10)C64 s(48.53%)p0.01(0.35%)d1.05(51.12%)	0.000034778	3.281323418 Hartree
666	RY*(1)C65 s(0.26%)p99.99(92.88%)d26.88(6.86%)	0.004682796	1.337113119 Hartree
667	RY*(2)C65 s(0.03%)p99.99(97.45%)d72.59(2.52%)	0.002404779	0.881982034 Hartree
668	RY*(3)C65 s(0.22%)p99.99(48.97%)d99.99(50.82%)	0.000742261	1.317400743 Hartree
669	RY*(4)C65 s(1.66%)p27.46(45.48%)d31.92(52.87%)	0.000572473	1.354073769 Hartree
670	RY*(5)C65 s(96.95%)p0.00(0.46%)d0.03(2.58%)	0.000298870	1.157457312 Hartree
671	RY*(6)C65 s(3.00%)p0.72(2.16%)d31.60(94.84%)	0.000099845	2.479225652 Hartree
672	RY*(7)C65 s(58.65%)p0.01(0.42%)d0.70(40.93%)	0.000042553	3.504796689 Hartree
673	RY*(8)C65 s(8.37%)p0.81(6.74%)d10.14(84.89%)	0.000040387	2.363776370 Hartree
674	RY*(9)C65 s(1.47%)p3.10(4.56%)d64.00(93.97%)	0.000017518	1.895641021 Hartree
675	RY*(10)C65 s(29.45%)p0.03(1.01%)d2.36(69.55%)	0.000012261	2.757391801 Hartree
676	RY*(1)C66 s(0.32%)p99.99(92.49%)d22.26(7.18%)	0.004934642	1.288492617 Hartree
677	RY*(2)C66 s(0.27%)p99.99(98.34%)d5.16(1.39%)	0.002902267	0.728431400 Hartree
678	RY*(3)C66 s(0.04%)p2.64(0.11%)d99.99(99.85%)	0.000619377	1.961859582 Hartree
679	RY*(4)C66 s(0.31%)p99.99(89.37%)d33.37(10.32%)	0.000446516	0.732293021 Hartree
680	RY*(5)C66 s(97.53%)p0.01(0.56%)d0.02(1.92%)	0.000273150	1.176496700 Hartree
681	RY*(6)C66 s(0.10%)p15.15(1.45%)d99.99(98.46%)	0.000104208	2.379355170 Hartree
682	RY*(7)C66 s(51.03%)p0.01(0.35%)d0.95(48.62%)	0.000045389	3.358677890 Hartree
683	RY*(8)C66 s(10.31%)p0.81(8.36%)d7.89(81.34%)	0.000003704	2.027361563 Hartree
684	RY*(9)C66 s(1.14%)p6.07(6.90%)d80.84(91.96%)	0.000012539	2.103250365 Hartree
685	RY*(10)C66 s(38.99%)p0.06(2.21%)d1.51(58.80%)	0.000005941	2.847982168 Hartree
686	RY*(1)C67 s(0.41%)p99.99(91.58%)d19.62(8.01%)	0.004647027	1.294763848 Hartree
687	RY*(2)C67 s(0.01%)p1.00(98.62%)d0.01(1.37%)	0.002692606	0.712296226 Hartree
688	RY*(3)C67 s(0.00%)p1.00(2.15%)d45.61(97.85%)	0.000618014	1.929220434 Hartree
689	RY*(4)C67 s(0.02%)p99.99(88.34%)d99.99(11.64%)	0.000470951	0.749323580 Hartree
690	RY*(5)C67 s(96.62%)p0.00(0.08%)d0.03(3.30%)	0.000214743	1.158290311 Hartree
691	RY*(6)C67 s(0.03%)p41.74(1.42%)d99.99(98.55%)	0.000100452	2.382542704 Hartree
692	RY*(7)C67 s(54.14%)p0.00(0.14%)d0.84(45.71%)	0.000046824	3.413633130 Hartree
693	RY*(8)C67 s(7.66%)p0.85(6.49%)d11.20(85.85%)	0.000006032	2.104908218 Hartree
694	RY*(9)C67 s(9.74%)p0.84(8.15%)d8.43(82.11%)	0.000009982	2.155175246 Hartree
695	RY*(10)C67 s(31.39%)p0.10(3.17%)d2.08(65.43%)	0.000003725	2.644996044 Hartree
696	RY*(1)C68 s(0.27%)p99.99(92.47%)d27.08(7.26%)	0.004900063	1.288081517 Hartree
697	RY*(2)C68 s(0.56%)p99.99(98.11%)d2.40(1.33%)	0.002968188	0.724203416 Hartree
698	RY*(3)C68 s(0.08%)p82.51(6.25%)d99.99(93.68%)	0.000638674	1.879084136 Hartree
699	RY*(4)C68 s(0.21%)p99.99(83.98%)d76.88(15.82%)	0.000443074	0.810933920 Hartree
700	RY*(5)C68 s(97.32%)p0.01(0.66%)d0.02(2.03%)	0.000290677	1.184347395 Hartree
701	RY*(6)C68 s(0.24%)p6.01(1.44%)d99.99(98.32%)	0.000102548	2.379200616 Hartree
702	RY*(7)C68 s(51.32%)p0.01(0.39%)d0.94(48.29%)	0.000044929	3.363503269 Hartree
703	RY*(8)C68 s(0.62%)p12.80(7.89%)d99.99(91.49%)	0.000007293	1.935550031 Hartree
704	RY*(9)C68 s(15.62%)p0.46(7.12%)d4.95(77.26%)	0.000008840	2.281149862 Hartree
705	RY*(10)C68 s(33.81%)p0.05(1.84%)d1.90(64.34%)	0.000006356	2.762738602 Hartree
706	RY*(1)C69 s(0.05%)p99.99(93.08%)d99.99(6.87%)	0.004727879	1.309252072 Hartree
707	RY*(2)C69 s(1.02%)p94.97(96.71%)d2.23(2.28%)	0.002567877	0.863508936 Hartree
708	RY*(3)C69 s(6.91%)p13.14(90.74%)d0.34(2.35%)	0.000946089	0.732405724 Hartree
709	RY*(4)C69 s(0.82%)p0.82(0.67%)d99.99(98.50%)	0.000624215	1.962370119 Hartree
710	RY*(5)C69 s(91.13%)p0.08(7.44%)d0.02(1.43%)	0.000415158	1.078329055 Hartree
711	RY*(6)C69 s(3.33%)p0.70(2.33%)d28.31(94.33%)	0.000109069	2.471128987 Hartree
712	RY*(7)C69 s(48.39%)p0.05(2.22%)d1.02(49.39%)	0.000052003	3.177096595 Hartree
713	RY*(8)C69 s(0.04%)p69.42(2.69%)d99.99(97.27%)	0.000053817	2.042414739 Hartree
714	RY*(9)C69 s(0.84%)p2.12(1.78%)d99.99(97.38%)	0.000028812	2.238798849 Hartree
715	RY*(10)C69 s(47.52%)p0.05(2.46%)d1.05(50.03%)	0.000022034	3.208250891 Hartree
716	RY*(1)H70 s(100.00%)	0.001065186	0.664859713 Hartree
717	RY*(1)H71 s(100.00%)	0.000869444	0.573875766 Hartree
718	RY*(1)H72 s(100.00%)	0.000852589	0.571546415 Hartree
719	RY*(1)H73 s(100.00%)	0.000867564	0.573349642 Hartree
720	RY*(1)H74 s(100.00%)	0.001274742	0.773478467 Hartree

Natural Bond Orbitals

Display Range		- / 720
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	BD(1)C1-C2	2208, 2209	1.938069879	-0.580652814 Hartree
2	BD(1)C1-C6	2210, 2211	1.942768245	-0.587555311 Hartree
3	BD(1)C1-C29	2212, 2213	1.925169203	-0.567704603 Hartree
4	BD(1)C1-C64	2214, 2215	1.974200731	-0.627291263 Hartree
5	BD(1)C2-C3	2216, 2217	1.965944780	-0.716137353 Hartree
6	BD(2)C2-C3	2218, 2219	1.864035689	-0.260413356 Hartree
7	BD(1)C2-C53	2220, 2221	1.971327952	-0.651063891 Hartree
8	BD(1)C3-C4	2222, 2223	1.929220297	-0.575400276 Hartree
9	BD(1)C3-C42	2224, 2225	1.970697471	-0.647893179 Hartree
10	BD(1)C4-C5	2226, 2227	1.931372536	-0.579509752 Hartree
11	BD(1)C4-C29	2228, 2229	1.941052516	-0.590823479 Hartree
12	BD(1)C4-C31	2230, 2231	1.973313354	-0.630691231 Hartree
13	BD(1)C5-C6	2232, 2233	1.963862412	-0.715417080 Hartree
14	BD(2)C5-C6	2234, 2235	1.882620978	-0.261172872 Hartree
15	BD(1)C5-C18	2236, 2237	1.970696838	-0.646307872 Hartree
16	BD(1)C6-C7	2238, 2239	1.970561969	-0.647359021 Hartree
17	BD(1)C7-C8	2240, 2241	1.971057506	-0.683541045 Hartree
18	BD(2)C7-C8	2242, 2243	1.650407039	-0.242244359 Hartree
19	BD(1)C7-C12	2244, 2245	1.970549896	-0.681894141 Hartree
20	BD(1)C8-C9	2246, 2247	1.979173698	-0.687867065 Hartree
21	BD(1)C8-H17	2248, 2249	1.980669903	-0.518438705 Hartree
22	BD(1)C9-C10	2250, 2251	1.980884590	-0.687299902 Hartree
23	BD(2)C9-C10	2252, 2253	1.658124393	-0.243256480 Hartree
24	BD(1)C9-H16	2254, 2255	1.982488532	-0.518253187 Hartree
25	BD(1)C10-C11	2256, 2257	1.980939569	-0.686726995 Hartree
26	BD(1)C10-H15	2258, 2259	1.983129789	-0.518872616 Hartree
27	BD(1)C11-C12	2260, 2261	1.979526663	-0.687348824 Hartree
28	BD(2)C11-C12	2262, 2263	1.662827088	-0.242865019 Hartree
29	BD(1)C11-H14	2264, 2265	1.982358693	-0.516928805 Hartree
30	BD(1)C12-H13	2266, 2267	1.981709320	-0.513312845 Hartree
31	BD(1)C18-C19	2268, 2269	1.970931043	-0.678583727 Hartree
32	BD(1)C18-C23	2270, 2271	1.969323437	-0.678248124 Hartree
33	BD(2)C18-C23	2272, 2273	1.651674802	-0.237071978 Hartree
34	BD(1)C19-C20	2274, 2275	1.979347787	-0.683475342 Hartree
35	BD(2)C19-C20	2276, 2277	1.665262875	-0.238819848 Hartree
36	BD(1)C19-H28	2278, 2279	1.981467410	-0.510526017 Hartree
37	BD(1)C20-C21	2280, 2281	1.980892000	-0.682690868 Hartree
38	BD(1)C20-H27	2282, 2283	1.982418579	-0.513218582 Hartree
39	BD(1)C21-C22	2284, 2285	1.980858992	-0.683385714 Hartree
40	BD(2)C21-C22	2286, 2287	1.662163659	-0.239342577 Hartree
41	BD(1)C21-H26	2288, 2289	1.983150404	-0.515326999 Hartree
42	BD(1)C22-C23	2290, 2291	1.979310957	-0.683703870 Hartree
43	BD(1)C22-H25	2292, 2293	1.982350843	-0.514204376 Hartree
44	BD(1)C23-H24	2294, 2295	1.982075435	-0.512077632 Hartree
45	BD(1)C29-O30	2296, 2297	1.997572486	-1.141283780 Hartree
46	BD(2)C29-O30	2298, 2299	1.991850973	-0.387533988 Hartree
47	BD(1)C31-C32	2300, 2301	1.973599797	-0.673998535 Hartree
48	BD(2)C31-C32	2302, 2303	1.662888741	-0.233625853 Hartree
49	BD(1)C31-C36	2304, 2305	1.973596321	-0.673956633 Hartree
50	BD(1)C32-C33	2306, 2307	1.979082691	-0.674513205 Hartree
51	BD(1)C32-H41	2308, 2309	1.980411196	-0.501959346 Hartree
52	BD(1)C33-C34	2310, 2311	1.981332360	-0.679388362 Hartree
53	BD(2)C33-C34	2312, 2313	1.668533687	-0.235267414 Hartree
54	BD(1)C33-H40	2314, 2315	1.982789229	-0.507948583 Hartree
55	BD(1)C34-C35	2316, 2317	1.980715506	-0.677795357 Hartree
56	BD(1)C34-H39	2318, 2319	1.983340556	-0.511377260 Hartree
57	BD(1)C35-C36	2320, 2321	1.979193331	-0.679501994 Hartree
58	BD(2)C35-C36	2322, 2323	1.664863656	-0.234217870 Hartree
59	BD(1)C35-H38	2324, 2325	1.982667191	-0.508645195 Hartree
60	BD(1)C36-H37	2326, 2327	1.980524263	-0.505931707 Hartree
61	BD(1)C42-C43	2328, 2329	1.968621485	-0.679269657 Hartree
62	BD(2)C42-C43	2330, 2331	1.650955293	-0.238717699 Hartree
63	BD(1)C42-C47	2332, 2333	1.970929385	-0.680799483 Hartree
64	BD(1)C43-C44	2334, 2335	1.979272488	-0.685307026 Hartree
65	BD(1)C43-H52	2336, 2337	1.982203628	-0.513125349 Hartree
66	BD(1)C44-C45	2338, 2339	1.980864907	-0.684622414 Hartree
67	BD(2)C44-C45	2340, 2341	1.660727223	-0.240727073 Hartree
68	BD(1)C44-H51	2342, 2343	1.982290681	-0.515528159 Hartree
69	BD(1)C45-C46	2344, 2345	1.980929957	-0.684256545 Hartree
70	BD(1)C45-H50	2346, 2347	1.983143644	-0.516586917 Hartree
71	BD(1)C46-C47	2348, 2349	1.979332934	-0.684755255 Hartree
72	BD(2)C46-C47	2350, 2351	1.664688573	-0.240476460 Hartree
73	BD(1)C46-H49	2352, 2353	1.982398037	-0.514545734 Hartree
74	BD(1)C47-H48	2354, 2355	1.981459225	-0.511705541 Hartree
75	BD(1)C53-C54	2356, 2357	1.971799892	-0.675469227 Hartree
76	BD(1)C53-C58	2358, 2359	1.972882540	-0.677377649 Hartree
77	BD(2)C53-C58	2360, 2361	1.635262417	-0.236547569 Hartree
78	BD(1)C54-C55	2362, 2363	1.979738192	-0.684423585 Hartree
79	BD(2)C54-C55	2364, 2365	1.668412579	-0.239474404 Hartree
80	BD(1)C54-H63	2366, 2367	1.980798278	-0.510276102 Hartree
81	BD(1)C55-C56	2368, 2369	1.980971930	-0.682962245 Hartree
82	BD(1)C55-H62	2370, 2371	1.982409400	-0.513239495 Hartree
83	BD(1)C56-C57	2372, 2373	1.980850014	-0.683752288 Hartree
84	BD(2)C56-C57	2374, 2375	1.657369404	-0.239528666 Hartree
85	BD(1)C56-H61	2376, 2377	1.983266261	-0.516110161 Hartree
86	BD(1)C57-C58	2378, 2379	1.979545495	-0.684674912 Hartree
87	BD(1)C57-H60	2380, 2381	1.982529863	-0.514030473 Hartree
88	BD(1)C58-H59	2382, 2383	1.979542463	-0.514132253 Hartree
89	BD(1)C64-C65	2384, 2385	1.974454935	-0.674860544 Hartree
90	BD(2)C64-C65	2386, 2387	1.662380020	-0.230773199 Hartree
91	BD(1)C64-C69	2388, 2389	1.972527620	-0.667839985 Hartree
92	BD(1)C65-C66	2390, 2391	1.978753674	-0.672165232 Hartree
93	BD(1)C65-H74	2392, 2393	1.979303039	-0.504639129 Hartree
94	BD(1)C66-C67	2394, 2395	1.981050131	-0.676566360 Hartree
95	BD(2)C66-C67	2396, 2397	1.669733156	-0.231926236 Hartree
96	BD(1)C66-H73	2398, 2399	1.982759084	-0.505615241 Hartree
97	BD(1)C67-C68	2400, 2401	1.980626327	-0.674357646 Hartree
98	BD(1)C67-H72	2402, 2403	1.983248027	-0.508345337 Hartree
99	BD(1)C68-C69	2404, 2405	1.979343457	-0.676814701 Hartree
100	BD(2)C68-C69	2406, 2407	1.669328385	-0.230859049 Hartree
101	BD(1)C68-H71	2408, 2409	1.982651603	-0.505718275 Hartree
102	BD(1)C69-H70	2410, 2411	1.980255850	-0.503448577 Hartree
103	CR(1)C1	2412	1.998907074	-10.071924620 Hartree
104	CR(1)C2	2413	1.998825760	-10.048971840 Hartree
105	CR(1)C3	2414	1.998816099	-10.049320230 Hartree
106	CR(1)C4	2415	1.998858405	-10.073951450 Hartree
107	CR(1)C5	2416	1.998798632	-10.048180622 Hartree
108	CR(1)C6	2417	1.998795907	-10.047874262 Hartree
109	CR(1)C7	2418	1.998978026	-10.047686114 Hartree
110	CR(1)C8	2419	1.999019894	-10.042107467 Hartree
111	CR(1)C9	2420	1.999095173	-10.046116142 Hartree
112	CR(1)C10	2421	1.999096323	-10.046099913 Hartree
113	CR(1)C11	2422	1.999093234	-10.045093679 Hartree
114	CR(1)C12	2423	1.999028441	-10.040941037 Hartree
115	CR(1)C18	2424	1.998971953	-10.043643413 Hartree
116	CR(1)C19	2425	1.999027853	-10.037877525 Hartree
117	CR(1)C20	2426	1.999092947	-10.041003432 Hartree
118	CR(1)C21	2427	1.999096503	-10.042236667 Hartree
119	CR(1)C22	2428	1.999093536	-10.041478223 Hartree
120	CR(1)C23	2429	1.999027421	-10.039161060 Hartree
121	CR(1)C29	2430	1.999270298	-10.157295043 Hartree
122	CR(1)O30	2431	1.999733788	-18.868084709 Hartree
123	CR(1)C31	2432	1.999032795	-10.038171228 Hartree
124	CR(1)C32	2433	1.999044467	-10.027840666 Hartree
125	CR(1)C33	2434	1.999105746	-10.035654271 Hartree
126	CR(1)C34	2435	1.999091847	-10.037101413 Hartree
127	CR(1)C35	2436	1.999085788	-10.035255103 Hartree
128	CR(1)C36	2437	1.999049184	-10.031339114 Hartree
129	CR(1)C42	2438	1.998972349	-10.044618556 Hartree
130	CR(1)C43	2439	1.999021580	-10.040261974 Hartree
131	CR(1)C44	2440	1.999093117	-10.042950011 Hartree
132	CR(1)C45	2441	1.999096638	-10.043624012 Hartree
133	CR(1)C46	2442	1.999092039	-10.042543451 Hartree
134	CR(1)C47	2443	1.999025031	-10.038946296 Hartree
135	CR(1)C53	2444	1.998976737	-10.045461526 Hartree
136	CR(1)C54	2445	1.999056074	-10.037289841 Hartree
137	CR(1)C55	2446	1.999096861	-10.040901256 Hartree
138	CR(1)C56	2447	1.999094584	-10.042746682 Hartree
139	CR(1)C57	2448	1.999093469	-10.041296460 Hartree
140	CR(1)C58	2449	1.999057505	-10.038126070 Hartree
141	CR(1)C64	2450	1.999029770	-10.036379593 Hartree
142	CR(1)C65	2451	1.999045414	-10.026751125 Hartree
143	CR(1)C66	2452	1.999103786	-10.032880206 Hartree
144	CR(1)C67	2453	1.999089693	-10.033498193 Hartree
145	CR(1)C68	2454	1.999091684	-10.032252333 Hartree
146	CR(1)C69	2455	1.999052901	-10.028525064 Hartree
147	LP(1)O30	2456	1.968353945	-0.672525050 Hartree
148	LP(2)O30	2457	1.804537663	-0.264209266 Hartree
149	RY*(1)C1	2458	0.005299313	1.175390385 Hartree
150	RY*(2)C1	2459	0.003603353	1.262352088 Hartree
151	RY*(3)C1	2460	0.001739746	1.173894462 Hartree
152	RY*(4)C1	2461	0.000776918	2.003110913 Hartree
153	RY*(5)C1	2462	0.000631890	2.142018917 Hartree
154	RY*(6)C1	2463	0.000511068	2.150216841 Hartree
155	RY*(7)C1	2464	0.000424165	2.157082835 Hartree
156	RY*(8)C1	2465	0.000146010	2.394845845 Hartree
157	RY*(9)C1	2466	0.000097511	2.309505934 Hartree
158	RY*(10)C1	2467	0.000022080	4.426052820 Hartree
159	RY*(1)C2	2468	0.005871489	1.087409289 Hartree
160	RY*(2)C2	2469	0.003618356	1.268925033 Hartree
161	RY*(3)C2	2470	0.002247732	1.057656848 Hartree
162	RY*(4)C2	2471	0.001141390	1.210451017 Hartree
163	RY*(5)C2	2472	0.000599094	2.155515452 Hartree
164	RY*(6)C2	2473	0.000271281	2.005531899 Hartree
165	RY*(7)C2	2474	0.000195046	2.344499889 Hartree
166	RY*(8)C2	2475	0.000071358	2.353822346 Hartree
167	RY*(9)C2	2476	0.000050733	3.216592335 Hartree
168	RY*(10)C2	2477	0.000026508	3.447769359 Hartree
169	RY*(1)C3	2478	0.006549372	0.924373363 Hartree
170	RY*(2)C3	2479	0.003356174	1.370808360 Hartree
171	RY*(3)C3	2480	0.002453150	0.884779124 Hartree
172	RY*(4)C3	2481	0.001172962	1.221327771 Hartree
173	RY*(5)C3	2482	0.000474973	2.285595494 Hartree
174	RY*(6)C3	2483	0.000431298	2.245702036 Hartree
175	RY*(7)C3	2484	0.000223873	2.255944621 Hartree
176	RY*(8)C3	2485	0.000081499	2.174160409 Hartree
177	RY*(9)C3	2486	0.000032354	4.330364242 Hartree
178	RY*(10)C3	2487	0.000041725	2.342259028 Hartree
179	RY*(1)C4	2488	0.007146914	1.196772430 Hartree
180	RY*(2)C4	2489	0.002620980	1.438279936 Hartree
181	RY*(3)C4	2490	0.001636850	0.942718716 Hartree
182	RY*(4)C4	2491	0.000765087	2.115881358 Hartree
183	RY*(5)C4	2492	0.000555621	2.066475205 Hartree
184	RY*(6)C4	2493	0.000539321	2.273722545 Hartree
185	RY*(7)C4	2494	0.000423905	2.046008804 Hartree
186	RY*(8)C4	2495	0.000152358	2.366665733 Hartree
187	RY*(9)C4	2496	0.000052875	2.278346282 Hartree
188	RY*(10)C4	2497	0.000025448	4.481463829 Hartree
189	RY*(1)C5	2498	0.006453302	0.932266173 Hartree
190	RY*(2)C5	2499	0.003554796	1.367554828 Hartree
191	RY*(3)C5	2500	0.002383928	0.897156332 Hartree
192	RY*(4)C5	2501	0.001146291	1.214606206 Hartree
193	RY*(5)C5	2502	0.000489809	2.252963406 Hartree
194	RY*(6)C5	2503	0.000421445	2.267279517 Hartree
195	RY*(7)C5	2504	0.000209857	2.258070947 Hartree
196	RY*(8)C5	2505	0.000071896	2.175654576 Hartree
197	RY*(9)C5	2506	0.000046732	2.890301483 Hartree
198	RY*(10)C5	2507	0.000027341	3.770500762 Hartree
199	RY*(1)C6	2508	0.006559847	0.960606449 Hartree
200	RY*(2)C6	2509	0.003619985	1.237159477 Hartree
201	RY*(3)C6	2510	0.002609912	1.070216741 Hartree
202	RY*(4)C6	2511	0.001090239	1.288745356 Hartree
203	RY*(5)C6	2512	0.000514098	2.229244934 Hartree
204	RY*(6)C6	2513	0.000324852	2.153970766 Hartree
205	RY*(7)C6	2514	0.000161206	2.350168529 Hartree
206	RY*(8)C6	2515	0.000081280	2.167853424 Hartree
207	RY*(9)C6	2516	0.000034691	4.348326381 Hartree
208	RY*(10)C6	2517	0.000038775	2.313320655 Hartree
209	RY*(1)C7	2518	0.005887929	1.301946721 Hartree
210	RY*(2)C7	2519	0.004081959	1.045900661 Hartree
211	RY*(3)C7	2520	0.002150825	0.962508475 Hartree
212	RY*(4)C7	2521	0.000865086	1.254799444 Hartree
213	RY*(5)C7	2522	0.000673652	1.943209127 Hartree
214	RY*(6)C7	2523	0.000437894	2.242840506 Hartree
215	RY*(7)C7	2524	0.000137683	2.172187266 Hartree
216	RY*(8)C7	2525	0.000087260	2.963107763 Hartree
217	RY*(9)C7	2526	0.000048143	2.392727875 Hartree
218	RY*(10)C7	2527	0.000044118	3.721470683 Hartree
219	RY*(1)C8	2528	0.004666182	1.301011356 Hartree
220	RY*(2)C8	2529	0.002361516	0.792779224 Hartree
221	RY*(3)C8	2530	0.000712457	1.447605092 Hartree
222	RY*(4)C8	2531	0.000554646	1.202961886 Hartree
223	RY*(5)C8	2532	0.000310734	1.203626693 Hartree
224	RY*(6)C8	2533	0.000097145	2.341453023 Hartree
225	RY*(7)C8	2534	0.000049889	3.306987942 Hartree
226	RY*(8)C8	2535	0.000029383	2.403529802 Hartree
227	RY*(9)C8	2536	0.000011007	2.874233923 Hartree
228	RY*(10)C8	2537	0.000015989	1.948059748 Hartree
229	RY*(1)C9	2538	0.004929169	1.271353571 Hartree
230	RY*(2)C9	2539	0.002961307	0.714925899 Hartree
231	RY*(3)C9	2540	0.000640914	1.948516760 Hartree
232	RY*(4)C9	2541	0.000405906	0.733104496 Hartree
233	RY*(5)C9	2542	0.000258386	1.139684879 Hartree
234	RY*(6)C9	2543	0.000099719	2.362842119 Hartree
235	RY*(7)C9	2544	0.000045535	3.389472462 Hartree
236	RY*(8)C9	2545	0.000008085	2.673480612 Hartree
237	RY*(9)C9	2546	0.000010851	2.405748319 Hartree
238	RY*(10)C9	2547	0.000003692	1.824584062 Hartree
239	RY*(1)C10	2548	0.004709856	1.279389848 Hartree
240	RY*(2)C10	2549	0.002699577	0.706081426 Hartree
241	RY*(3)C10	2550	0.000615482	1.823989859 Hartree
242	RY*(4)C10	2551	0.000480301	0.829014798 Hartree
243	RY*(5)C10	2552	0.000209459	1.138551244 Hartree
244	RY*(6)C10	2553	0.000102618	2.365402519 Hartree
245	RY*(7)C10	2554	0.000046733	3.422755602 Hartree
246	RY*(8)C10	2555	0.000007609	2.010158117 Hartree
247	RY*(9)C10	2556	0.000006201	1.880088100 Hartree
248	RY*(10)C10	2557	0.000005263	2.969108161 Hartree
249	RY*(1)C11	2558	0.004868659	1.275015958 Hartree
250	RY*(2)C11	2559	0.002953912	0.713019852 Hartree
251	RY*(3)C11	2560	0.000638756	1.894587590 Hartree
252	RY*(4)C11	2561	0.000404083	0.783059813 Hartree
253	RY*(5)C11	2562	0.000258434	1.139423353 Hartree
254	RY*(6)C11	2563	0.000101649	2.367511625 Hartree
255	RY*(7)C11	2564	0.000046302	3.433759902 Hartree
256	RY*(8)C11	2565	0.000013024	2.111902329 Hartree
257	RY*(9)C11	2566	0.000002043	1.718993320 Hartree
258	RY*(10)C11	2567	0.000008873	3.035151086 Hartree
259	RY*(1)C12	2568	0.004743381	1.290293966 Hartree
260	RY*(2)C12	2569	0.002486404	0.789232264 Hartree
261	RY*(3)C12	2570	0.000609048	1.959690973 Hartree
262	RY*(4)C12	2571	0.000500684	0.734254671 Hartree
263	RY*(5)C12	2572	0.000371378	1.193100762 Hartree
264	RY*(6)C12	2573	0.000096848	2.332104761 Hartree
265	RY*(7)C12	2574	0.000050805	3.397983904 Hartree
266	RY*(8)C12	2575	0.000035355	2.121194619 Hartree
267	RY*(9)C12	2576	0.000015094	3.099312247 Hartree
268	RY*(10)C12	2577	0.000017632	2.004901000 Hartree
269	RY*(1)H13	2578	0.001012673	0.602579374 Hartree
270	RY*(1)H14	2579	0.000861668	0.564420098 Hartree
271	RY*(1)H15	2580	0.000831101	0.562593479 Hartree
272	RY*(1)H16	2581	0.000865291	0.562333034 Hartree
273	RY*(1)H17	2582	0.001171017	0.704262466 Hartree
274	RY*(1)C18	2583	0.005746225	1.308088530 Hartree
275	RY*(2)C18	2584	0.003893352	1.002146334 Hartree
276	RY*(3)C18	2585	0.002319116	0.981447489 Hartree
277	RY*(4)C18	2586	0.000906058	1.234259476 Hartree
278	RY*(5)C18	2587	0.000672734	1.937700495 Hartree
279	RY*(6)C18	2588	0.000415547	2.244149571 Hartree
280	RY*(7)C18	2589	0.000136298	2.154054100 Hartree
281	RY*(8)C18	2590	0.000092776	2.968845222 Hartree
282	RY*(9)C18	2591	0.000049875	3.127582066 Hartree
283	RY*(10)C18	2592	0.000034053	2.944260811 Hartree
284	RY*(1)C19	2593	0.004843981	1.294308716 Hartree
285	RY*(2)C19	2594	0.002421905	0.804614366 Hartree
286	RY*(3)C19	2595	0.000643732	1.538909752 Hartree
287	RY*(4)C19	2596	0.000597949	1.152789788 Hartree
288	RY*(5)C19	2597	0.000313615	1.202476898 Hartree
289	RY*(6)C19	2598	0.000098251	2.346241777 Hartree
290	RY*(7)C19	2599	0.000050963	2.659854462 Hartree
291	RY*(8)C19	2600	0.000039438	3.100016517 Hartree
292	RY*(9)C19	2601	0.000029917	2.350809282 Hartree
293	RY*(10)C19	2602	0.000009540	2.492765374 Hartree
294	RY*(1)C20	2603	0.004869854	1.278774415 Hartree
295	RY*(2)C20	2604	0.002921313	0.716655678 Hartree
296	RY*(3)C20	2605	0.000636879	1.887523662 Hartree
297	RY*(4)C20	2606	0.000423081	0.789763165 Hartree
298	RY*(5)C20	2607	0.000256631	1.140421673 Hartree
299	RY*(6)C20	2608	0.000101319	2.369335533 Hartree
300	RY*(7)C20	2609	0.000046259	3.426362833 Hartree
301	RY*(8)C20	2610	0.000013857	2.190842822 Hartree
302	RY*(9)C20	2611	0.000002506	1.743644348 Hartree
303	RY*(10)C20	2612	0.000006867	2.970858363 Hartree
304	RY*(1)C21	2613	0.004699418	1.283052001 Hartree
305	RY*(2)C21	2614	0.002695494	0.709954558 Hartree
306	RY*(3)C21	2615	0.000620475	1.882827295 Hartree
307	RY*(4)C21	2616	0.000486305	0.777831152 Hartree
308	RY*(5)C21	2617	0.000211504	1.137236822 Hartree
309	RY*(6)C21	2618	0.000102884	2.368438712 Hartree
310	RY*(7)C21	2619	0.000046714	3.430624630 Hartree
311	RY*(8)C21	2620	0.000011882	2.212940667 Hartree
312	RY*(9)C21	2621	0.000000640	1.719393532 Hartree
313	RY*(10)C21	2622	0.000006473	2.938549798 Hartree
314	RY*(1)C22	2623	0.004838836	1.278046151 Hartree
315	RY*(2)C22	2624	0.002918839	0.715285806 Hartree
316	RY*(3)C22	2625	0.000629375	1.950546214 Hartree
317	RY*(4)C22	2626	0.000440150	0.725546129 Hartree
318	RY*(5)C22	2627	0.000257484	1.144430685 Hartree
319	RY*(6)C22	2628	0.000100604	2.369100612 Hartree
320	RY*(7)C22	2629	0.000045962	3.433329814 Hartree
321	RY*(8)C22	2630	0.000008782	3.039806894 Hartree
322	RY*(9)C22	2631	0.000012837	2.119466864 Hartree
323	RY*(10)C22	2632	0.000001208	1.722656168 Hartree
324	RY*(1)C23	2633	0.004749897	1.290055233 Hartree
325	RY*(2)C23	2634	0.002451587	0.792783294 Hartree
326	RY*(3)C23	2635	0.000693267	1.606740038 Hartree
327	RY*(4)C23	2636	0.000527055	1.061780845 Hartree
328	RY*(5)C23	2637	0.000368499	1.170056733 Hartree
329	RY*(6)C23	2638	0.000096435	2.338186071 Hartree
330	RY*(7)C23	2639	0.000048716	3.387293669 Hartree
331	RY*(8)C23	2640	0.000025382	2.171849527 Hartree
332	RY*(9)C23	2641	0.000028589	2.443472973 Hartree
333	RY*(10)C23	2642	0.000009071	2.576135764 Hartree
334	RY*(1)H24	2643	0.001039089	0.607373667 Hartree
335	RY*(1)H25	2644	0.000876330	0.566527963 Hartree
336	RY*(1)H26	2645	0.000839896	0.565680075 Hartree
337	RY*(1)H27	2646	0.000861799	0.567783211 Hartree
338	RY*(1)H28	2647	0.000985830	0.615327689 Hartree
339	RY*(1)C29	2648	0.025154074	0.727405949 Hartree
340	RY*(2)C29	2649	0.005140812	1.602983724 Hartree
341	RY*(3)C29	2650	0.003301444	1.150230472 Hartree
342	RY*(4)C29	2651	0.002169967	1.693997287 Hartree
343	RY*(5)C29	2652	0.001499541	1.950109101 Hartree
344	RY*(6)C29	2653	0.000680778	1.944334711 Hartree
345	RY*(7)C29	2654	0.000398841	2.256630805 Hartree
346	RY*(8)C29	2655	0.000367175	2.012457607 Hartree
347	RY*(9)C29	2656	0.000113155	4.122043081 Hartree
348	RY*(10)C29	2657	0.000049318	2.462076037 Hartree
349	RY*(1)O30	2658	0.002556691	1.277652915 Hartree
350	RY*(2)O30	2659	0.000867982	2.271449703 Hartree
351	RY*(3)O30	2660	0.000313128	1.102973712 Hartree
352	RY*(4)O30	2661	0.000116796	1.898904184 Hartree
353	RY*(5)O30	2662	0.000095261	1.828893180 Hartree
354	RY*(6)O30	2663	0.000011991	1.807602883 Hartree
355	RY*(7)O30	2664	0.000014872	2.079241230 Hartree
356	RY*(8)O30	2665	0.000003033	1.975526115 Hartree
357	RY*(9)O30	2666	0.000005474	1.887889276 Hartree
358	RY*(10)O30	2667	0.000012320	3.543537701 Hartree
359	RY*(1)C31	2668	0.005741313	1.325185812 Hartree
360	RY*(2)C31	2669	0.004584591	1.149140323 Hartree
361	RY*(3)C31	2670	0.003511688	0.842330855 Hartree
362	RY*(4)C31	2671	0.000695695	1.225516818 Hartree
363	RY*(5)C31	2672	0.000662951	1.952540066 Hartree
364	RY*(6)C31	2673	0.000158417	2.440305456 Hartree
365	RY*(7)C31	2674	0.000112584	2.013443821 Hartree
366	RY*(8)C31	2675	0.000098785	2.736657489 Hartree
367	RY*(9)C31	2676	0.000045481	2.424006561 Hartree
368	RY*(10)C31	2677	0.000042108	3.959653756 Hartree
369	RY*(1)C32	2678	0.004705961	1.306050450 Hartree
370	RY*(2)C32	2679	0.002965205	0.844227894 Hartree
371	RY*(3)C32	2680	0.000690240	1.683339149 Hartree
372	RY*(4)C32	2681	0.000469561	1.003224291 Hartree
373	RY*(5)C32	2682	0.000278974	1.177792074 Hartree
374	RY*(6)C32	2683	0.000113822	2.421860532 Hartree
375	RY*(7)C32	2684	0.000037345	2.279846744 Hartree
376	RY*(8)C32	2685	0.000046694	3.575155398 Hartree
377	RY*(9)C32	2686	0.000009561	2.919474449 Hartree
378	RY*(10)C32	2687	0.000006231	1.785029071 Hartree
379	RY*(1)C33	2688	0.004888453	1.285421541 Hartree
380	RY*(2)C33	2689	0.002897413	0.724138549 Hartree
381	RY*(3)C33	2690	0.000607382	1.936226341 Hartree
382	RY*(4)C33	2691	0.000441096	0.750214706 Hartree
383	RY*(5)C33	2692	0.000283475	1.168652183 Hartree
384	RY*(6)C33	2693	0.000105755	2.376821906 Hartree
385	RY*(7)C33	2694	0.000045536	3.420641732 Hartree
386	RY*(8)C33	2695	0.000012686	2.126600144 Hartree
387	RY*(9)C33	2696	0.000007522	3.056684390 Hartree
388	RY*(10)C33	2697	0.000001184	1.716442835 Hartree
389	RY*(1)C34	2698	0.004675092	1.289697160 Hartree
390	RY*(2)C34	2699	0.002720202	0.711447250 Hartree
391	RY*(3)C34	2700	0.000622848	1.944673854 Hartree
392	RY*(4)C34	2701	0.000448811	0.730418533 Hartree
393	RY*(5)C34	2702	0.000218119	1.143825810 Hartree
394	RY*(6)C34	2703	0.000102189	2.376724718 Hartree
395	RY*(7)C34	2704	0.000046883	3.434692200 Hartree
396	RY*(8)C34	2705	0.000011555	2.285898890 Hartree
397	RY*(9)C34	2706	0.000000449	1.719708831 Hartree
398	RY*(10)C34	2707	0.000007708	2.872694463 Hartree
399	RY*(1)C35	2708	0.004895124	1.284148421 Hartree
400	RY*(2)C35	2709	0.002951072	0.720290799 Hartree
401	RY*(3)C35	2710	0.000635414	1.823459210 Hartree
402	RY*(4)C35	2711	0.000445937	0.861668591 Hartree
403	RY*(5)C35	2712	0.000292158	1.148062059 Hartree
404	RY*(6)C35	2713	0.000101909	2.377688579 Hartree
405	RY*(7)C35	2714	0.000046209	3.421751121 Hartree
406	RY*(8)C35	2715	0.000003777	1.733110696 Hartree
407	RY*(9)C35	2716	0.000006898	3.000899140 Hartree
408	RY*(10)C35	2717	0.000013659	2.209117612 Hartree
409	RY*(1)C36	2718	0.004992470	1.318731546 Hartree
410	RY*(2)C36	2719	0.002540010	0.859312216 Hartree
411	RY*(3)C36	2720	0.000823823	0.762600669 Hartree
412	RY*(4)C36	2721	0.000623768	1.947702284 Hartree
413	RY*(5)C36	2722	0.000388621	1.157827523 Hartree
414	RY*(6)C36	2723	0.000102281	2.426475841 Hartree
415	RY*(7)C36	2724	0.000062994	1.850658617 Hartree
416	RY*(8)C36	2725	0.000046061	2.459226912 Hartree
417	RY*(9)C36	2726	0.000053260	3.024511891 Hartree
418	RY*(10)C36	2727	0.000024980	3.432169773 Hartree
419	RY*(1)H37	2728	0.001076816	0.674600986 Hartree
420	RY*(1)H38	2729	0.000876108	0.571306950 Hartree
421	RY*(1)H39	2730	0.000853122	0.568727649 Hartree
422	RY*(1)H40	2731	0.000867048	0.571771535 Hartree
423	RY*(1)H41	2732	0.002132231	0.680993672 Hartree
424	RY*(1)C42	2733	0.005798501	1.305167446 Hartree
425	RY*(2)C42	2734	0.003915354	1.000983611 Hartree
426	RY*(3)C42	2735	0.002341215	0.990734855 Hartree
427	RY*(4)C42	2736	0.000917071	1.266564247 Hartree
428	RY*(5)C42	2737	0.000675520	1.932096546 Hartree
429	RY*(6)C42	2738	0.000414644	2.243134231 Hartree
430	RY*(7)C42	2739	0.000139113	2.147442262 Hartree
431	RY*(8)C42	2740	0.000091568	2.951659341 Hartree
432	RY*(9)C42	2741	0.000038633	3.559631453 Hartree
433	RY*(10)C42	2742	0.000047536	2.550190418 Hartree
434	RY*(1)C43	2743	0.004754031	1.281873163 Hartree
435	RY*(2)C43	2744	0.002454574	0.788569173 Hartree
436	RY*(3)C43	2745	0.000702584	1.570570822 Hartree
437	RY*(4)C43	2746	0.000524623	1.078474079 Hartree
438	RY*(5)C43	2747	0.000391154	1.177211377 Hartree
439	RY*(6)C43	2748	0.000095956	2.335438762 Hartree
440	RY*(7)C43	2749	0.000049758	3.366863662 Hartree
441	RY*(8)C43	2750	0.000033886	2.205739091 Hartree
442	RY*(9)C43	2751	0.000015191	1.985056368 Hartree
443	RY*(10)C43	2752	0.000012308	3.034774353 Hartree
444	RY*(1)C44	2753	0.004829682	1.276234977 Hartree
445	RY*(2)C44	2754	0.002930595	0.714175384 Hartree
446	RY*(3)C44	2755	0.000633782	1.949929024 Hartree
447	RY*(4)C44	2756	0.000430971	0.724295452 Hartree
448	RY*(5)C44	2757	0.000257283	1.142607539 Hartree
449	RY*(6)C44	2758	0.000100843	2.367976892 Hartree
450	RY*(7)C44	2759	0.000046145	3.431875860 Hartree
451	RY*(8)C44	2760	0.000008621	3.048490719 Hartree
452	RY*(9)C44	2761	0.000012677	2.117522983 Hartree
453	RY*(10)C44	2762	0.000001357	1.708905734 Hartree
454	RY*(1)C45	2763	0.004704165	1.281452568 Hartree
455	RY*(2)C45	2764	0.002699394	0.708705873 Hartree
456	RY*(3)C45	2765	0.000621126	1.846919149 Hartree
457	RY*(4)C45	2766	0.000489029	0.809855947 Hartree
458	RY*(5)C45	2767	0.000211753	1.135003203 Hartree
459	RY*(6)C45	2768	0.000102981	2.367082261 Hartree
460	RY*(7)C45	2769	0.000046725	3.432095949 Hartree
461	RY*(8)C45	2770	0.000012089	2.181410232 Hartree
462	RY*(9)C45	2771	0.000000737	1.721023045 Hartree
463	RY*(10)C45	2772	0.000006262	2.963340447 Hartree
464	RY*(1)C46	2773	0.004881060	1.276711878 Hartree
465	RY*(2)C46	2774	0.002940590	0.715424818 Hartree
466	RY*(3)C46	2775	0.000642128	1.884751702 Hartree
467	RY*(4)C46	2776	0.000421194	0.791569133 Hartree
468	RY*(5)C46	2777	0.000259215	1.134713677 Hartree
469	RY*(6)C46	2778	0.000101380	2.367646554 Hartree
470	RY*(7)C46	2779	0.000046547	3.435015181 Hartree
471	RY*(8)C46	2780	0.000012440	2.154593982 Hartree
472	RY*(9)C46	2781	0.000002858	1.716920931 Hartree
473	RY*(10)C46	2782	0.000008251	3.022918962 Hartree
474	RY*(1)C47	2783	0.004833352	1.293847141 Hartree
475	RY*(2)C47	2784	0.002440326	0.801321198 Hartree
476	RY*(3)C47	2785	0.000634878	1.392986556 Hartree
477	RY*(4)C47	2786	0.000604427	1.303689270 Hartree
478	RY*(5)C47	2787	0.000324984	1.207797616 Hartree
479	RY*(6)C47	2788	0.000098571	2.345772594 Hartree
480	RY*(7)C47	2789	0.000046472	2.069945805 Hartree
481	RY*(8)C47	2790	0.000050305	3.098138144 Hartree
482	RY*(9)C47	2791	0.000025459	2.958424759 Hartree
483	RY*(10)C47	2792	0.000010675	2.517988177 Hartree
484	RY*(1)H48	2793	0.000993259	0.613514002 Hartree
485	RY*(1)H49	2794	0.000859283	0.566520212 Hartree
486	RY*(1)H50	2795	0.000836304	0.564531264 Hartree
487	RY*(1)H51	2796	0.000876997	0.565439812 Hartree
488	RY*(1)H52	2797	0.000974863	0.589369266 Hartree
489	RY*(1)C53	2798	0.005597005	1.320840630 Hartree
490	RY*(2)C53	2799	0.004722675	1.153248487 Hartree
491	RY*(3)C53	2800	0.001337097	1.022167191 Hartree
492	RY*(4)C53	2801	0.000773820	1.168712544 Hartree
493	RY*(5)C53	2802	0.000666081	1.935049231 Hartree
494	RY*(6)C53	2803	0.000369490	1.939149370 Hartree
495	RY*(7)C53	2804	0.000127910	2.322631714 Hartree
496	RY*(8)C53	2805	0.000094837	3.023168417 Hartree
497	RY*(9)C53	2806	0.000051912	3.138295691 Hartree
498	RY*(10)C53	2807	0.000025603	2.815238871 Hartree
499	RY*(1)C54	2808	0.004750853	1.307749684 Hartree
500	RY*(2)C54	2809	0.002487625	0.825148278 Hartree
501	RY*(3)C54	2810	0.000641412	1.522985549 Hartree
502	RY*(4)C54	2811	0.000573410	1.140925367 Hartree
503	RY*(5)C54	2812	0.000353114	1.139067974 Hartree
504	RY*(6)C54	2813	0.000099895	2.397688981 Hartree
505	RY*(7)C54	2814	0.000048086	3.429144953 Hartree
506	RY*(8)C54	2815	0.000048485	2.094523610 Hartree
507	RY*(9)C54	2816	0.000023487	2.421925413 Hartree
508	RY*(10)C54	2817	0.000010729	2.648204410 Hartree
509	RY*(1)C55	2818	0.004905401	1.280541108 Hartree
510	RY*(2)C55	2819	0.002896407	0.717497890 Hartree
511	RY*(3)C55	2820	0.000627563	1.941089665 Hartree
512	RY*(4)C55	2821	0.000418376	0.746731513 Hartree
513	RY*(5)C55	2822	0.000263565	1.146366282 Hartree
514	RY*(6)C55	2823	0.000103039	2.371773345 Hartree
515	RY*(7)C55	2824	0.000045609	3.428774115 Hartree
516	RY*(8)C55	2825	0.000013597	2.298892170 Hartree
517	RY*(9)C55	2826	0.000002142	1.841678693 Hartree
518	RY*(10)C55	2827	0.000008984	2.744269341 Hartree
519	RY*(1)C56	2828	0.004686094	1.284535380 Hartree
520	RY*(2)C56	2829	0.002689364	0.706634138 Hartree
521	RY*(3)C56	2830	0.000622090	1.843119196 Hartree
522	RY*(4)C56	2831	0.000504627	0.814536558 Hartree
523	RY*(5)C56	2832	0.000209573	1.149131239 Hartree
524	RY*(6)C56	2833	0.000101324	2.370770634 Hartree
525	RY*(7)C56	2834	0.000046752	3.402637400 Hartree
526	RY*(8)C56	2835	0.000010370	2.079628767 Hartree
527	RY*(9)C56	2836	0.000005829	2.543295397 Hartree
528	RY*(10)C56	2837	0.000003100	2.264062325 Hartree
529	RY*(1)C57	2838	0.004964922	1.277219936 Hartree
530	RY*(2)C57	2839	0.002929044	0.718141923 Hartree
531	RY*(3)C57	2840	0.000635973	1.957253012 Hartree
532	RY*(4)C57	2841	0.000427681	0.725192689 Hartree
533	RY*(5)C57	2842	0.000273736	1.162985646 Hartree
534	RY*(6)C57	2843	0.000099596	2.366490591 Hartree
535	RY*(7)C57	2844	0.000044925	3.385702746 Hartree
536	RY*(8)C57	2845	0.000007770	2.179670618 Hartree
537	RY*(9)C57	2846	0.000010695	2.481293943 Hartree
538	RY*(10)C57	2847	0.000004113	2.265193231 Hartree
539	RY*(1)C58	2848	0.004717908	1.304758906 Hartree
540	RY*(2)C58	2849	0.002425016	0.843564508 Hartree
541	RY*(3)C58	2850	0.000753262	1.154076061 Hartree
542	RY*(4)C58	2851	0.000580520	1.531177925 Hartree
543	RY*(5)C58	2852	0.000331036	1.131571863 Hartree
544	RY*(6)C58	2853	0.000097363	2.420855542 Hartree
545	RY*(7)C58	2854	0.000048656	2.196181674 Hartree
546	RY*(8)C58	2855	0.000049775	3.031525496 Hartree
547	RY*(9)C58	2856	0.000016853	3.161491979 Hartree
548	RY*(10)C58	2857	0.000017236	2.187940718 Hartree
549	RY*(1)H59	2858	0.001270856	0.780428763 Hartree
550	RY*(1)H60	2859	0.000854061	0.565896287 Hartree
551	RY*(1)H61	2860	0.000837333	0.564866235 Hartree
552	RY*(1)H62	2861	0.000860309	0.567415952 Hartree
553	RY*(1)H63	2862	0.001104326	0.682415390 Hartree
554	RY*(1)C64	2863	0.005670816	1.269420321 Hartree
555	RY*(2)C64	2864	0.005134103	1.268004156 Hartree
556	RY*(3)C64	2865	0.003510308	0.877186360 Hartree
557	RY*(4)C64	2866	0.000945009	1.134334820 Hartree
558	RY*(5)C64	2867	0.000663869	1.957171075 Hartree
559	RY*(6)C64	2868	0.000162658	2.046307986 Hartree
560	RY*(7)C64	2869	0.000128750	2.415328839 Hartree
561	RY*(8)C64	2870	0.000094787	2.820537587 Hartree
562	RY*(9)C64	2871	0.000058220	3.027523635 Hartree
563	RY*(10)C64	2872	0.000034778	3.281323418 Hartree
564	RY*(1)C65	2873	0.004682796	1.337113119 Hartree
565	RY*(2)C65	2874	0.002404779	0.881982034 Hartree
566	RY*(3)C65	2875	0.000742261	1.317400743 Hartree
567	RY*(4)C65	2876	0.000572473	1.354073769 Hartree
568	RY*(5)C65	2877	0.000298870	1.157457312 Hartree
569	RY*(6)C65	2878	0.000099845	2.479225652 Hartree
570	RY*(7)C65	2879	0.000042553	3.504796689 Hartree
571	RY*(8)C65	2880	0.000040387	2.363776370 Hartree
572	RY*(9)C65	2881	0.000017518	1.895641021 Hartree
573	RY*(10)C65	2882	0.000012261	2.757391801 Hartree
574	RY*(1)C66	2883	0.004934642	1.288492617 Hartree
575	RY*(2)C66	2884	0.002902267	0.728431400 Hartree
576	RY*(3)C66	2885	0.000619377	1.961859582 Hartree
577	RY*(4)C66	2886	0.000446516	0.732293021 Hartree
578	RY*(5)C66	2887	0.000273150	1.176496700 Hartree
579	RY*(6)C66	2888	0.000104208	2.379355170 Hartree
580	RY*(7)C66	2889	0.000045389	3.358677890 Hartree
581	RY*(8)C66	2890	0.000003704	2.027361563 Hartree
582	RY*(9)C66	2891	0.000012539	2.103250365 Hartree
583	RY*(10)C66	2892	0.000005941	2.847982168 Hartree
584	RY*(1)C67	2893	0.004647027	1.294763848 Hartree
585	RY*(2)C67	2894	0.002692606	0.712296226 Hartree
586	RY*(3)C67	2895	0.000618014	1.929220434 Hartree
587	RY*(4)C67	2896	0.000470951	0.749323580 Hartree
588	RY*(5)C67	2897	0.000214743	1.158290311 Hartree
589	RY*(6)C67	2898	0.000100452	2.382542704 Hartree
590	RY*(7)C67	2899	0.000046824	3.413633130 Hartree
591	RY*(8)C67	2900	0.000006032	2.104908218 Hartree
592	RY*(9)C67	2901	0.000009982	2.155175246 Hartree
593	RY*(10)C67	2902	0.000003725	2.644996044 Hartree
594	RY*(1)C68	2903	0.004900063	1.288081517 Hartree
595	RY*(2)C68	2904	0.002968188	0.724203416 Hartree
596	RY*(3)C68	2905	0.000638674	1.879084136 Hartree
597	RY*(4)C68	2906	0.000443074	0.810933920 Hartree
598	RY*(5)C68	2907	0.000290677	1.184347395 Hartree
599	RY*(6)C68	2908	0.000102548	2.379200616 Hartree
600	RY*(7)C68	2909	0.000044929	3.363503269 Hartree
601	RY*(8)C68	2910	0.000007293	1.935550031 Hartree
602	RY*(9)C68	2911	0.000008840	2.281149862 Hartree
603	RY*(10)C68	2912	0.000006356	2.762738602 Hartree
604	RY*(1)C69	2913	0.004727879	1.309252072 Hartree
605	RY*(2)C69	2914	0.002567877	0.863508936 Hartree
606	RY*(3)C69	2915	0.000946089	0.732405724 Hartree
607	RY*(4)C69	2916	0.000624215	1.962370119 Hartree
608	RY*(5)C69	2917	0.000415158	1.078329055 Hartree
609	RY*(6)C69	2918	0.000109069	2.471128987 Hartree
610	RY*(7)C69	2919	0.000052003	3.177096595 Hartree
611	RY*(8)C69	2920	0.000053817	2.042414739 Hartree
612	RY*(9)C69	2921	0.000028812	2.238798849 Hartree
613	RY*(10)C69	2922	0.000022034	3.208250891 Hartree
614	RY*(1)H70	2923	0.001065186	0.664859713 Hartree
615	RY*(1)H71	2924	0.000869444	0.573875766 Hartree
616	RY*(1)H72	2925	0.000852589	0.571546415 Hartree
617	RY*(1)H73	2926	0.000867564	0.573349642 Hartree
618	RY*(1)H74	2927	0.001274742	0.773478467 Hartree
619	BD*(1)C1-C2		0.043898158	0.375604451 Hartree
620	BD*(1)C1-C6		0.042036920	0.383030723 Hartree
621	BD*(1)C1-C29		0.107607057	0.314977446 Hartree
622	BD*(1)C1-C64		0.031390272	0.443120608 Hartree
623	BD*(1)C2-C3		0.024074918	0.641432118 Hartree
624	BD*(2)C2-C3		0.146718949	0.054970759 Hartree
625	BD*(1)C2-C53		0.033014778	0.490255788 Hartree
626	BD*(1)C3-C4		0.050948426	0.364496838 Hartree
627	BD*(1)C3-C42		0.032375736	0.484091132 Hartree
628	BD*(1)C4-C5		0.050322618	0.370521980 Hartree
629	BD*(1)C4-C29		0.090981272	0.338740197 Hartree
630	BD*(1)C4-C31		0.031587596	0.444552817 Hartree
631	BD*(1)C5-C6		0.025569296	0.643336495 Hartree
632	BD*(2)C5-C6		0.124188372	0.056837911 Hartree
633	BD*(1)C5-C18		0.032408101	0.484206868 Hartree
634	BD*(1)C6-C7		0.033342799	0.478935683 Hartree
635	BD*(1)C7-C8		0.025249293	0.572685656 Hartree
636	BD*(2)C7-C8		0.364381739	0.038009240 Hartree
637	BD*(1)C7-C12		0.024612176	0.570807339 Hartree
638	BD*(1)C8-C9		0.014668290	0.586261540 Hartree
639	BD*(1)C8-H17		0.013760522	0.483555549 Hartree
640	BD*(1)C9-C10		0.015656791	0.582549903 Hartree
641	BD*(2)C9-C10		0.333849858	0.037608839 Hartree
642	BD*(1)C9-H16		0.012064108	0.475219441 Hartree
643	BD*(1)C10-C11		0.015702369	0.582637083 Hartree
644	BD*(1)C10-H15		0.012199260	0.476566966 Hartree
645	BD*(1)C11-C12		0.014779392	0.588369916 Hartree
646	BD*(2)C11-C12		0.318837580	0.039632886 Hartree
647	BD*(1)C11-H14		0.012051629	0.477202330 Hartree
648	BD*(1)C12-H13		0.012042525	0.481829425 Hartree
649	BD*(1)C18-C19		0.025022525	0.576297061 Hartree
650	BD*(1)C18-C23		0.024627483	0.576177033 Hartree
651	BD*(2)C18-C23		0.359091925	0.042931025 Hartree
652	BD*(1)C19-C20		0.014599784	0.592614250 Hartree
653	BD*(2)C19-C20		0.318735806	0.044100755 Hartree
654	BD*(1)C19-H28		0.012110004	0.484084805 Hartree
655	BD*(1)C20-C21		0.015720788	0.586344090 Hartree
656	BD*(1)C20-H27		0.012037122	0.480180870 Hartree
657	BD*(1)C21-C22		0.015703165	0.587048726 Hartree
658	BD*(2)C21-C22		0.334170912	0.041660442 Hartree
659	BD*(1)C21-H26		0.012231005	0.479212516 Hartree
660	BD*(1)C22-C23		0.014799365	0.590672729 Hartree
661	BD*(1)C22-H25		0.012097829	0.478786949 Hartree
662	BD*(1)C23-H24		0.012093119	0.480416753 Hartree
663	BD*(1)C29-O30		0.016843275	0.609833781 Hartree
664	BD*(2)C29-O30		0.115336724	0.024274619 Hartree
665	BD*(1)C31-C32		0.023160128	0.587222215 Hartree
666	BD*(2)C31-C32		0.345329005	0.048681984 Hartree
667	BD*(1)C31-C36		0.022673039	0.579748124 Hartree
668	BD*(1)C32-C33		0.015218412	0.595515806 Hartree
669	BD*(1)C32-H41		0.017821051	0.511536263 Hartree
670	BD*(1)C33-C34		0.015932491	0.594245630 Hartree
671	BD*(2)C33-C34		0.330367929	0.046634978 Hartree
672	BD*(1)C33-H40		0.012175425	0.484365462 Hartree
673	BD*(1)C34-C35		0.015848630	0.591250488 Hartree
674	BD*(1)C34-H39		0.012505774	0.482219132 Hartree
675	BD*(1)C35-C36		0.014777869	0.599476383 Hartree
676	BD*(2)C35-C36		0.317227536	0.049519511 Hartree
677	BD*(1)C35-H38		0.012103709	0.483763664 Hartree
678	BD*(1)C36-H37		0.012631593	0.489464597 Hartree
679	BD*(1)C42-C43		0.024838425	0.573704659 Hartree
680	BD*(2)C42-C43		0.360729100	0.040716435 Hartree
681	BD*(1)C42-C47		0.025349865	0.574121905 Hartree
682	BD*(1)C43-C44		0.014778248	0.589737323 Hartree
683	BD*(1)C43-H52		0.011946002	0.478921709 Hartree
684	BD*(1)C44-C45		0.015714146	0.585142470 Hartree
685	BD*(2)C44-C45		0.335028377	0.040085787 Hartree
686	BD*(1)C44-H51		0.012091249	0.477744227 Hartree
687	BD*(1)C45-C46		0.015705461	0.585026842 Hartree
688	BD*(1)C45-H50		0.012215249	0.478228641 Hartree
689	BD*(1)C46-C47		0.014660649	0.590471602 Hartree
690	BD*(2)C46-C47		0.320436278	0.042114026 Hartree
691	BD*(1)C46-H49		0.012024477	0.479183466 Hartree
692	BD*(1)C47-H48		0.012129176	0.483647023 Hartree
693	BD*(1)C53-C54		0.023488416	0.572852778 Hartree
694	BD*(1)C53-C58		0.023468958	0.574405325 Hartree
695	BD*(2)C53-C58		0.373942113	0.041624907 Hartree
696	BD*(1)C54-C55		0.014481416	0.594696842 Hartree
697	BD*(2)C54-C55		0.312314903	0.044319007 Hartree
698	BD*(1)C54-H63		0.012786775	0.490764342 Hartree
699	BD*(1)C55-C56		0.015828812	0.585865324 Hartree
700	BD*(1)C55-H62		0.012142922	0.479771091 Hartree
701	BD*(1)C56-C57		0.015712207	0.587157656 Hartree
702	BD*(2)C56-C57		0.334360959	0.041682817 Hartree
703	BD*(1)C56-H61		0.012266348	0.478925759 Hartree
704	BD*(1)C57-C58		0.014510178	0.592512767 Hartree
705	BD*(1)C57-H60		0.012112001	0.478835645 Hartree
706	BD*(1)C58-H59		0.014105321	0.492382367 Hartree
707	BD*(1)C64-C65		0.022798134	0.594073559 Hartree
708	BD*(2)C64-C65		0.347696133	0.052684531 Hartree
709	BD*(1)C64-C69		0.021910195	0.582025740 Hartree
710	BD*(1)C65-C66		0.014637720	0.597593158 Hartree
711	BD*(1)C65-H74		0.014484576	0.506885553 Hartree
712	BD*(1)C66-C67		0.015766979	0.598540512 Hartree
713	BD*(2)C66-C67		0.329694205	0.050467329 Hartree
714	BD*(1)C66-H73		0.012056258	0.485866618 Hartree
715	BD*(1)C67-C68		0.015880729	0.594699019 Hartree
716	BD*(1)C67-H72		0.012468800	0.485357932 Hartree
717	BD*(1)C68-C69		0.014623901	0.604616187 Hartree
718	BD*(2)C68-C69		0.315437327	0.053166680 Hartree
719	BD*(1)C68-H71		0.012110102	0.486329795 Hartree
720	BD*(1)C69-H70		0.012656183	0.490003103 Hartree

Quote

ERWIN WITH HIS PSI CAN DO CALCULATIONS QUITE A FEW. BUT ONE THING HAS NOT BEEN SEEN JUST WHAT DOES PSI REALLY MEAN. -- WALTER HUCKEL, TRANS. BY FELIX BLOCH

WebMO Job Summary

610650: C43H30O, Natural Bond Orbitals - Gaussian

Calculated Quantities

Overview

Rotational Constants

Molecular Orbitals

Natural Population Analysis

Natural Atomic Orbitals

Natural Hybrid Orbitals

Natural Bond Orbitals

Quote