WebMO Job Summary

420265: C19H20O4, Natural Bond Orbitals - Gaussian

Raw Output

Save Notes

Calculated Quantities

Expand all

Overview

Quantity	Value
Route	#N B3LYP/6-311+G(2d,p) SP GFINPUT POP=(FULL,NBORead) Geom=Connectivity
Stoichiometry	C19H20O4
Symmetry	C2V
Basis	6-311+G(2d,p)
RB3LYP Energy	-1037.27197799 Hartree
Dipole Moment	4.3470 Debye
Server	batch (431429)
CPU time	2480.6 sec

Rotational Constants

Constant	Frequency (GHz)	Frequency (cm-1)
a	1.2927395	0.04312114816
b	0.0508100	0.00169483917
c	0.0489631	0.00163323321

Molecular Orbitals

Display Range		- / 737
Orbital	Symmetry	Occupancy	Energy	Actions
1	B2	2	-19.17823 Hartree
2	A1	2	-19.17823 Hartree
3	B2	2	-19.10917 Hartree
4	A1	2	-19.10917 Hartree
5	A1	2	-10.26266 Hartree
6	B2	2	-10.26266 Hartree
7	B2	2	-10.25760 Hartree
8	A1	2	-10.25760 Hartree
9	B2	2	-10.25302 Hartree
10	A1	2	-10.25301 Hartree
11	A1	2	-10.19650 Hartree
12	B2	2	-10.19614 Hartree
13	A1	2	-10.19614 Hartree
14	B2	2	-10.19126 Hartree
15	A1	2	-10.19126 Hartree
16	B2	2	-10.19035 Hartree
17	A1	2	-10.19035 Hartree
18	B2	2	-10.18721 Hartree
19	A1	2	-10.18721 Hartree
20	B2	2	-10.18712 Hartree
21	A1	2	-10.18712 Hartree
22	B2	2	-10.17521 Hartree
23	A1	2	-10.17521 Hartree
24	A1	2	-1.09440 Hartree
25	B2	2	-1.09322 Hartree
26	B2	2	-1.04345 Hartree
27	A1	2	-1.04345 Hartree
28	A1	2	-0.87920 Hartree
29	B2	2	-0.87712 Hartree
30	A1	2	-0.82973 Hartree
31	B2	2	-0.78902 Hartree
32	A1	2	-0.77771 Hartree
33	B2	2	-0.77438 Hartree
34	A1	2	-0.76725 Hartree
35	B2	2	-0.74402 Hartree
36	A1	2	-0.73531 Hartree
37	B2	2	-0.71358 Hartree
38	A1	2	-0.65844 Hartree
39	A1	2	-0.63476 Hartree
40	B2	2	-0.63316 Hartree
41	B2	2	-0.62211 Hartree
42	A1	2	-0.61336 Hartree
43	B2	2	-0.56822 Hartree
44	A1	2	-0.56816 Hartree
45	A1	2	-0.56201 Hartree
46	B2	2	-0.55020 Hartree
47	B1	2	-0.53132 Hartree
48	A1	2	-0.50427 Hartree
49	B2	2	-0.50291 Hartree
50	A2	2	-0.49161 Hartree
51	B2	2	-0.48815 Hartree
52	A1	2	-0.48243 Hartree
53	B2	2	-0.46766 Hartree
54	A1	2	-0.46642 Hartree
55	B1	2	-0.45055 Hartree
56	A2	2	-0.45011 Hartree
57	A1	2	-0.44365 Hartree
58	B2	2	-0.44285 Hartree
59	A1	2	-0.43750 Hartree
60	B2	2	-0.43656 Hartree
61	B1	2	-0.42618 Hartree
62	B2	2	-0.42524 Hartree
63	A1	2	-0.42024 Hartree
64	A1	2	-0.41393 Hartree
65	B2	2	-0.40977 Hartree
66	A2	2	-0.40072 Hartree
67	B2	2	-0.38781 Hartree
68	A1	2	-0.38615 Hartree
69	B1	2	-0.38252 Hartree
70	A1	2	-0.38182 Hartree
71	B2	2	-0.37552 Hartree
72	A2	2	-0.37079 Hartree
73	B1	2	-0.36567 Hartree
74	A1	2	-0.34982 Hartree
75	B2	2	-0.34860 Hartree
76	B1	2	-0.33819 Hartree
77	A2	2	-0.33645 Hartree
78	A2	2	-0.27738 Hartree
79	B1	2	-0.27728 Hartree
80	B2	2	-0.25750 Hartree
81	A1	2	-0.25750 Hartree
82	B1	2	-0.24698 Hartree
83	A2	2	-0.24569 Hartree
84	A2	0	-0.06279 Hartree
85	B1	0	-0.06278 Hartree
86	B1	0	-0.03073 Hartree
87	A2	0	-0.03061 Hartree
88	A1	0	-0.01485 Hartree
89	B2	0	-0.00235 Hartree
90	A1	0	-0.00033 Hartree
91	A1	0	0.00691 Hartree
92	B2	0	0.01496 Hartree
93	B1	0	0.01497 Hartree
94	A1	0	0.02373 Hartree
95	B2	0	0.02377 Hartree
96	A2	0	0.02639 Hartree
97	B1	0	0.02884 Hartree
98	A1	0	0.03263 Hartree
99	B2	0	0.03267 Hartree
100	A1	0	0.03950 Hartree
101	A2	0	0.04239 Hartree
102	B2	0	0.04544 Hartree
103	B1	0	0.04732 Hartree
104	B2	0	0.05094 Hartree
105	A1	0	0.05406 Hartree
106	A1	0	0.05904 Hartree
107	A2	0	0.06091 Hartree
108	B1	0	0.06111 Hartree
109	A1	0	0.06286 Hartree
110	B2	0	0.07304 Hartree
111	A2	0	0.07915 Hartree
112	B2	0	0.07980 Hartree
113	B1	0	0.08259 Hartree
114	B2	0	0.08393 Hartree
115	B1	0	0.08825 Hartree
116	A1	0	0.08987 Hartree
117	A2	0	0.09285 Hartree
118	A1	0	0.09352 Hartree
119	A1	0	0.09719 Hartree
120	B2	0	0.10854 Hartree
121	A2	0	0.11221 Hartree
122	B1	0	0.11461 Hartree
123	A1	0	0.11991 Hartree
124	B2	0	0.12201 Hartree
125	A1	0	0.12437 Hartree
126	B1	0	0.12654 Hartree
127	A1	0	0.12879 Hartree
128	B2	0	0.13050 Hartree
129	B2	0	0.13254 Hartree
130	A2	0	0.13613 Hartree
131	B1	0	0.13861 Hartree
132	B2	0	0.13940 Hartree
133	A1	0	0.13998 Hartree
134	A2	0	0.14691 Hartree
135	B1	0	0.15063 Hartree
136	A1	0	0.15078 Hartree
137	A2	0	0.15137 Hartree
138	A1	0	0.15686 Hartree
139	A2	0	0.15899 Hartree
140	B2	0	0.15953 Hartree
141	B1	0	0.16009 Hartree
142	B2	0	0.16754 Hartree
143	A1	0	0.17098 Hartree
144	B2	0	0.17628 Hartree
145	A1	0	0.18250 Hartree
146	B1	0	0.18651 Hartree
147	B2	0	0.18963 Hartree
148	B1	0	0.18987 Hartree
149	B2	0	0.19072 Hartree
150	A1	0	0.19299 Hartree
151	A1	0	0.19841 Hartree
152	A2	0	0.19994 Hartree
153	A1	0	0.20039 Hartree
154	B2	0	0.20239 Hartree
155	B2	0	0.20414 Hartree
156	A1	0	0.20443 Hartree
157	B1	0	0.20771 Hartree
158	B2	0	0.21014 Hartree
159	A1	0	0.21184 Hartree
160	A2	0	0.21271 Hartree
161	B2	0	0.21363 Hartree
162	B2	0	0.21434 Hartree
163	A1	0	0.21916 Hartree
164	A1	0	0.21959 Hartree
165	A1	0	0.22414 Hartree
166	B2	0	0.22949 Hartree
167	A1	0	0.23047 Hartree
168	A2	0	0.23101 Hartree
169	B2	0	0.23145 Hartree
170	B1	0	0.23309 Hartree
171	B2	0	0.23722 Hartree
172	B2	0	0.24151 Hartree
173	A1	0	0.24622 Hartree
174	A1	0	0.25014 Hartree
175	B2	0	0.25554 Hartree
176	A1	0	0.26282 Hartree
177	B2	0	0.26289 Hartree
178	A1	0	0.26532 Hartree
179	B2	0	0.27343 Hartree
180	A1	0	0.27493 Hartree
181	A1	0	0.28447 Hartree
182	B2	0	0.28526 Hartree
183	A2	0	0.28588 Hartree
184	B2	0	0.28638 Hartree
185	A1	0	0.28777 Hartree
186	B2	0	0.28825 Hartree
187	B1	0	0.29281 Hartree
188	A1	0	0.29517 Hartree
189	A1	0	0.30272 Hartree
190	A2	0	0.30627 Hartree
191	A1	0	0.30982 Hartree
192	B1	0	0.31129 Hartree
193	B2	0	0.31402 Hartree
194	A1	0	0.32353 Hartree
195	B2	0	0.32715 Hartree
196	A1	0	0.32766 Hartree
197	B2	0	0.32886 Hartree
198	B2	0	0.33047 Hartree
199	A1	0	0.33360 Hartree
200	B2	0	0.34394 Hartree
201	B2	0	0.35182 Hartree
202	A1	0	0.35350 Hartree
203	B2	0	0.35667 Hartree
204	A1	0	0.36155 Hartree
205	B2	0	0.36393 Hartree
206	A1	0	0.37260 Hartree
207	A1	0	0.37889 Hartree
208	B2	0	0.38033 Hartree
209	B2	0	0.38303 Hartree
210	B1	0	0.38826 Hartree
211	A1	0	0.39635 Hartree
212	B2	0	0.41014 Hartree
213	A2	0	0.41440 Hartree
214	A1	0	0.41461 Hartree
215	B1	0	0.41633 Hartree
216	B2	0	0.42310 Hartree
217	A1	0	0.43321 Hartree
218	B2	0	0.44107 Hartree
219	A1	0	0.44271 Hartree
220	A2	0	0.44360 Hartree
221	B2	0	0.45531 Hartree
222	A1	0	0.46972 Hartree
223	B2	0	0.47152 Hartree
224	A1	0	0.47696 Hartree
225	A2	0	0.47951 Hartree
226	A1	0	0.48324 Hartree
227	B2	0	0.48409 Hartree
228	B1	0	0.48522 Hartree
229	A1	0	0.49343 Hartree
230	B1	0	0.49967 Hartree
231	B2	0	0.50566 Hartree
232	A1	0	0.50899 Hartree
233	B2	0	0.51562 Hartree
234	A1	0	0.52014 Hartree
235	A2	0	0.52161 Hartree
236	B1	0	0.52803 Hartree
237	B2	0	0.53137 Hartree
238	A1	0	0.53405 Hartree
239	B2	0	0.54493 Hartree
240	A2	0	0.54561 Hartree
241	B2	0	0.54623 Hartree
242	A1	0	0.54709 Hartree
243	B1	0	0.54991 Hartree
244	A1	0	0.55780 Hartree
245	A2	0	0.55817 Hartree
246	B1	0	0.55986 Hartree
247	B1	0	0.56781 Hartree
248	A1	0	0.57357 Hartree
249	B2	0	0.57418 Hartree
250	A2	0	0.57561 Hartree
251	A2	0	0.57941 Hartree
252	B1	0	0.58298 Hartree
253	B2	0	0.59333 Hartree
254	A2	0	0.59719 Hartree
255	A1	0	0.59785 Hartree
256	B1	0	0.60172 Hartree
257	A1	0	0.61250 Hartree
258	B2	0	0.61271 Hartree
259	B2	0	0.61458 Hartree
260	B1	0	0.61736 Hartree
261	A1	0	0.62258 Hartree
262	A2	0	0.62519 Hartree
263	B1	0	0.63147 Hartree
264	A2	0	0.63976 Hartree
265	B2	0	0.64239 Hartree
266	A1	0	0.65204 Hartree
267	B2	0	0.65938 Hartree
268	A1	0	0.65975 Hartree
269	A2	0	0.66111 Hartree
270	B1	0	0.66692 Hartree
271	B2	0	0.66897 Hartree
272	B1	0	0.67021 Hartree
273	A1	0	0.67566 Hartree
274	A1	0	0.67847 Hartree
275	B2	0	0.67897 Hartree
276	A1	0	0.68233 Hartree
277	B1	0	0.69010 Hartree
278	A2	0	0.69044 Hartree
279	A1	0	0.69484 Hartree
280	B2	0	0.69544 Hartree
281	B2	0	0.70517 Hartree
282	A1	0	0.70876 Hartree
283	A1	0	0.71253 Hartree
284	A2	0	0.71413 Hartree
285	B2	0	0.71567 Hartree
286	B2	0	0.72162 Hartree
287	B1	0	0.74059 Hartree
288	B2	0	0.74462 Hartree
289	A2	0	0.74568 Hartree
290	B1	0	0.75118 Hartree
291	A1	0	0.75355 Hartree
292	A1	0	0.76300 Hartree
293	B2	0	0.76645 Hartree
294	A1	0	0.76854 Hartree
295	A2	0	0.76925 Hartree
296	B2	0	0.77417 Hartree
297	A2	0	0.77423 Hartree
298	B1	0	0.77482 Hartree
299	A1	0	0.78049 Hartree
300	A1	0	0.80018 Hartree
301	A1	0	0.81027 Hartree
302	B2	0	0.81677 Hartree
303	B2	0	0.81822 Hartree
304	A1	0	0.82602 Hartree
305	B1	0	0.82831 Hartree
306	B2	0	0.83239 Hartree
307	A1	0	0.83663 Hartree
308	B2	0	0.83916 Hartree
309	A1	0	0.84394 Hartree
310	A1	0	0.85010 Hartree
311	B2	0	0.85047 Hartree
312	B2	0	0.85673 Hartree
313	A2	0	0.86024 Hartree
314	A2	0	0.86396 Hartree
315	B1	0	0.86710 Hartree
316	B2	0	0.87177 Hartree
317	A1	0	0.87566 Hartree
318	B2	0	0.89482 Hartree
319	A1	0	0.90412 Hartree
320	A1	0	0.90954 Hartree
321	B1	0	0.91706 Hartree
322	B2	0	0.92140 Hartree
323	A1	0	0.92186 Hartree
324	B2	0	0.94008 Hartree
325	A1	0	0.94516 Hartree
326	A2	0	0.95491 Hartree
327	B2	0	0.95810 Hartree
328	B2	0	0.95920 Hartree
329	A1	0	0.97090 Hartree
330	B1	0	0.98186 Hartree
331	B2	0	0.98824 Hartree
332	A1	0	0.99172 Hartree
333	A2	0	1.00109 Hartree
334	B2	0	1.00802 Hartree
335	A1	0	1.01926 Hartree
336	B2	0	1.03216 Hartree
337	B1	0	1.03265 Hartree
338	A1	0	1.03440 Hartree
339	B2	0	1.04676 Hartree
340	A2	0	1.04998 Hartree
341	B1	0	1.05353 Hartree
342	A1	0	1.06381 Hartree
343	B2	0	1.07746 Hartree
344	B2	0	1.08605 Hartree
345	A1	0	1.09350 Hartree
346	A1	0	1.09851 Hartree
347	A2	0	1.10547 Hartree
348	B2	0	1.11245 Hartree
349	A2	0	1.11961 Hartree
350	B1	0	1.12095 Hartree
351	A1	0	1.12462 Hartree
352	B2	0	1.12616 Hartree
353	A1	0	1.13525 Hartree
354	B2	0	1.13608 Hartree
355	B1	0	1.14708 Hartree
356	A2	0	1.15413 Hartree
357	B1	0	1.15425 Hartree
358	A1	0	1.15535 Hartree
359	A2	0	1.17226 Hartree
360	B2	0	1.18364 Hartree
361	A1	0	1.18515 Hartree
362	A1	0	1.18870 Hartree
363	B1	0	1.19331 Hartree
364	B2	0	1.19514 Hartree
365	B2	0	1.21232 Hartree
366	A1	0	1.21251 Hartree
367	B1	0	1.21712 Hartree
368	B2	0	1.21775 Hartree
369	A2	0	1.21874 Hartree
370	B1	0	1.23169 Hartree
371	A1	0	1.24606 Hartree
372	B1	0	1.25755 Hartree
373	A2	0	1.25786 Hartree
374	B2	0	1.25911 Hartree
375	A1	0	1.25977 Hartree
376	A2	0	1.26730 Hartree
377	A1	0	1.29029 Hartree
378	B1	0	1.29130 Hartree
379	B2	0	1.29847 Hartree
380	B2	0	1.30604 Hartree
381	A1	0	1.30983 Hartree
382	A2	0	1.31465 Hartree
383	B2	0	1.31762 Hartree
384	A1	0	1.32179 Hartree
385	B2	0	1.33352 Hartree
386	A1	0	1.33525 Hartree
387	B1	0	1.34032 Hartree
388	A2	0	1.34257 Hartree
389	A1	0	1.35456 Hartree
390	B2	0	1.35469 Hartree
391	B2	0	1.36060 Hartree
392	A1	0	1.36194 Hartree
393	B2	0	1.36929 Hartree
394	A1	0	1.39071 Hartree
395	B2	0	1.40923 Hartree
396	A1	0	1.41859 Hartree
397	A1	0	1.43032 Hartree
398	B2	0	1.43196 Hartree
399	A2	0	1.44586 Hartree
400	B1	0	1.44589 Hartree
401	A1	0	1.45491 Hartree
402	B2	0	1.48176 Hartree
403	A1	0	1.51061 Hartree
404	A1	0	1.51402 Hartree
405	B2	0	1.51906 Hartree
406	B1	0	1.52302 Hartree
407	A2	0	1.52702 Hartree
408	A1	0	1.53234 Hartree
409	B2	0	1.55037 Hartree
410	B2	0	1.56500 Hartree
411	A1	0	1.57010 Hartree
412	B2	0	1.58896 Hartree
413	A1	0	1.60082 Hartree
414	B1	0	1.61316 Hartree
415	B2	0	1.62179 Hartree
416	A2	0	1.62246 Hartree
417	B2	0	1.63159 Hartree
418	B1	0	1.64162 Hartree
419	A2	0	1.64362 Hartree
420	A1	0	1.64735 Hartree
421	B1	0	1.67789 Hartree
422	B2	0	1.68405 Hartree
423	A1	0	1.68616 Hartree
424	A2	0	1.70444 Hartree
425	B1	0	1.70611 Hartree
426	B2	0	1.70855 Hartree
427	A1	0	1.71454 Hartree
428	B2	0	1.72610 Hartree
429	A1	0	1.73022 Hartree
430	B2	0	1.75037 Hartree
431	A1	0	1.75678 Hartree
432	A2	0	1.75904 Hartree
433	B1	0	1.76335 Hartree
434	B2	0	1.78769 Hartree
435	A2	0	1.78863 Hartree
436	A1	0	1.79143 Hartree
437	B1	0	1.80822 Hartree
438	A1	0	1.80830 Hartree
439	B2	0	1.80953 Hartree
440	A1	0	1.82843 Hartree
441	B1	0	1.83237 Hartree
442	A2	0	1.83715 Hartree
443	B2	0	1.85345 Hartree
444	B2	0	1.86299 Hartree
445	A1	0	1.86796 Hartree
446	A1	0	1.91311 Hartree
447	A2	0	1.94179 Hartree
448	B2	0	1.94278 Hartree
449	B1	0	1.94648 Hartree
450	B2	0	1.97481 Hartree
451	A1	0	1.97484 Hartree
452	A2	0	1.98224 Hartree
453	A1	0	1.98868 Hartree
454	B1	0	1.99424 Hartree
455	A2	0	2.01992 Hartree
456	B1	0	2.02128 Hartree
457	A2	0	2.07217 Hartree
458	B2	0	2.08406 Hartree
459	A1	0	2.10570 Hartree
460	B2	0	2.11640 Hartree
461	B1	0	2.13647 Hartree
462	A1	0	2.16438 Hartree
463	B2	0	2.16509 Hartree
464	A2	0	2.16953 Hartree
465	B1	0	2.18510 Hartree
466	A1	0	2.20116 Hartree
467	B2	0	2.21409 Hartree
468	B1	0	2.21678 Hartree
469	B2	0	2.23081 Hartree
470	A2	0	2.23569 Hartree
471	B1	0	2.24501 Hartree
472	A1	0	2.24902 Hartree
473	B2	0	2.26735 Hartree
474	A1	0	2.27321 Hartree
475	A1	0	2.29210 Hartree
476	B2	0	2.30443 Hartree
477	A2	0	2.32057 Hartree
478	A1	0	2.34340 Hartree
479	B2	0	2.34517 Hartree
480	A1	0	2.34811 Hartree
481	B2	0	2.35530 Hartree
482	A1	0	2.35668 Hartree
483	B2	0	2.36821 Hartree
484	B1	0	2.37914 Hartree
485	A2	0	2.38082 Hartree
486	B2	0	2.40642 Hartree
487	A1	0	2.40924 Hartree
488	A1	0	2.42370 Hartree
489	A1	0	2.43912 Hartree
490	B2	0	2.47032 Hartree
491	B1	0	2.47240 Hartree
492	B2	0	2.48628 Hartree
493	A1	0	2.49290 Hartree
494	B2	0	2.51156 Hartree
495	A1	0	2.52794 Hartree
496	A2	0	2.54859 Hartree
497	A1	0	2.57299 Hartree
498	B2	0	2.57435 Hartree
499	B2	0	2.61579 Hartree
500	B1	0	2.61720 Hartree
501	A2	0	2.61955 Hartree
502	A1	0	2.62034 Hartree
503	A1	0	2.63310 Hartree
504	B2	0	2.64532 Hartree
505	B1	0	2.64888 Hartree
506	A2	0	2.65168 Hartree
507	B2	0	2.65786 Hartree
508	A1	0	2.65885 Hartree
509	B1	0	2.66549 Hartree
510	B2	0	2.66924 Hartree
511	A2	0	2.67188 Hartree
512	A1	0	2.67252 Hartree
513	B2	0	2.72300 Hartree
514	A1	0	2.72403 Hartree
515	A1	0	2.75383 Hartree
516	A1	0	2.76778 Hartree
517	B2	0	2.76834 Hartree
518	B2	0	2.77511 Hartree
519	A1	0	2.78771 Hartree
520	B2	0	2.78957 Hartree
521	A1	0	2.80079 Hartree
522	B1	0	2.80266 Hartree
523	B2	0	2.80402 Hartree
524	A2	0	2.80520 Hartree
525	A1	0	2.80816 Hartree
526	B1	0	2.82816 Hartree
527	A2	0	2.84086 Hartree
528	B1	0	2.85668 Hartree
529	A2	0	2.86275 Hartree
530	B1	0	2.86404 Hartree
531	A2	0	2.90817 Hartree
532	B1	0	2.91226 Hartree
533	A1	0	2.92630 Hartree
534	B2	0	2.92718 Hartree
535	A2	0	2.94215 Hartree
536	B1	0	2.94628 Hartree
537	B2	0	2.96450 Hartree
538	A1	0	2.96661 Hartree
539	B2	0	3.00208 Hartree
540	A1	0	3.01273 Hartree
541	A1	0	3.04075 Hartree
542	B2	0	3.04297 Hartree
543	B2	0	3.08038 Hartree
544	A2	0	3.08124 Hartree
545	A1	0	3.09055 Hartree
546	B1	0	3.09483 Hartree
547	B1	0	3.10582 Hartree
548	A2	0	3.10637 Hartree
549	B2	0	3.11351 Hartree
550	A1	0	3.11445 Hartree
551	B2	0	3.11850 Hartree
552	A2	0	3.11995 Hartree
553	B1	0	3.12045 Hartree
554	A1	0	3.15764 Hartree
555	B2	0	3.17487 Hartree
556	A2	0	3.18868 Hartree
557	A1	0	3.18985 Hartree
558	B2	0	3.19610 Hartree
559	B1	0	3.20445 Hartree
560	A1	0	3.23994 Hartree
561	A2	0	3.24741 Hartree
562	B1	0	3.24908 Hartree
563	A2	0	3.27572 Hartree
564	B2	0	3.27956 Hartree
565	B1	0	3.29156 Hartree
566	A1	0	3.29167 Hartree
567	B2	0	3.29439 Hartree
568	A1	0	3.29895 Hartree
569	B1	0	3.30223 Hartree
570	A2	0	3.30404 Hartree
571	A2	0	3.34028 Hartree
572	B1	0	3.34431 Hartree
573	B1	0	3.35595 Hartree
574	A2	0	3.36369 Hartree
575	A1	0	3.36477 Hartree
576	B2	0	3.36715 Hartree
577	B1	0	3.36801 Hartree
578	A1	0	3.37227 Hartree
579	B2	0	3.37743 Hartree
580	A2	0	3.37946 Hartree
581	A1	0	3.39276 Hartree
582	B2	0	3.40199 Hartree
583	B2	0	3.40778 Hartree
584	B1	0	3.41426 Hartree
585	A1	0	3.42448 Hartree
586	A1	0	3.43270 Hartree
587	B2	0	3.43461 Hartree
588	A1	0	3.45670 Hartree
589	B2	0	3.45774 Hartree
590	B1	0	3.46069 Hartree
591	A2	0	3.46882 Hartree
592	A2	0	3.47277 Hartree
593	B1	0	3.47382 Hartree
594	A1	0	3.48844 Hartree
595	B2	0	3.49347 Hartree
596	A1	0	3.49767 Hartree
597	B2	0	3.50560 Hartree
598	B2	0	3.50960 Hartree
599	A2	0	3.51743 Hartree
600	A1	0	3.52263 Hartree
601	B1	0	3.54675 Hartree
602	A2	0	3.54714 Hartree
603	B2	0	3.55796 Hartree
604	A1	0	3.57767 Hartree
605	B1	0	3.57870 Hartree
606	A2	0	3.58094 Hartree
607	A1	0	3.59024 Hartree
608	B2	0	3.59200 Hartree
609	A1	0	3.61300 Hartree
610	B2	0	3.61639 Hartree
611	B1	0	3.61691 Hartree
612	A2	0	3.61850 Hartree
613	A1	0	3.62125 Hartree
614	B1	0	3.63004 Hartree
615	A2	0	3.63020 Hartree
616	B2	0	3.63039 Hartree
617	A1	0	3.63323 Hartree
618	B1	0	3.64369 Hartree
619	A2	0	3.66153 Hartree
620	A1	0	3.66237 Hartree
621	B2	0	3.66439 Hartree
622	B2	0	3.68570 Hartree
623	B1	0	3.69594 Hartree
624	A2	0	3.69663 Hartree
625	B2	0	3.71120 Hartree
626	A1	0	3.71507 Hartree
627	A1	0	3.71728 Hartree
628	B2	0	3.72763 Hartree
629	A1	0	3.73605 Hartree
630	A1	0	3.77513 Hartree
631	B1	0	3.77868 Hartree
632	A2	0	3.78112 Hartree
633	B2	0	3.78241 Hartree
634	A1	0	3.81968 Hartree
635	B2	0	3.82127 Hartree
636	B2	0	3.83331 Hartree
637	A1	0	3.83581 Hartree
638	A1	0	3.85350 Hartree
639	B2	0	3.86469 Hartree
640	A1	0	3.92059 Hartree
641	B2	0	3.92556 Hartree
642	B2	0	3.93707 Hartree
643	A1	0	3.93795 Hartree
644	B2	0	3.95641 Hartree
645	A1	0	3.95984 Hartree
646	A1	0	4.00309 Hartree
647	B2	0	4.00435 Hartree
648	A1	0	4.04545 Hartree
649	B2	0	4.05695 Hartree
650	A1	0	4.06617 Hartree
651	B2	0	4.07319 Hartree
652	A1	0	4.09745 Hartree
653	B2	0	4.10062 Hartree
654	A1	0	4.12186 Hartree
655	B2	0	4.14912 Hartree
656	A1	0	4.15147 Hartree
657	A2	0	4.15988 Hartree
658	A1	0	4.17365 Hartree
659	B2	0	4.17420 Hartree
660	B1	0	4.18859 Hartree
661	B1	0	4.19489 Hartree
662	A2	0	4.19491 Hartree
663	B2	0	4.21979 Hartree
664	B1	0	4.24587 Hartree
665	A1	0	4.30044 Hartree
666	B2	0	4.30174 Hartree
667	B2	0	4.36882 Hartree
668	A1	0	4.36956 Hartree
669	A1	0	4.41252 Hartree
670	B2	0	4.48934 Hartree
671	A1	0	4.50012 Hartree
672	B2	0	4.55127 Hartree
673	A1	0	4.55581 Hartree
674	B2	0	4.57816 Hartree
675	A1	0	4.67938 Hartree
676	B2	0	4.68166 Hartree
677	A1	0	4.81234 Hartree
678	B2	0	4.81248 Hartree
679	A1	0	4.92132 Hartree
680	B2	0	4.92399 Hartree
681	A2	0	5.03927 Hartree
682	B1	0	5.04705 Hartree
683	A2	0	5.08497 Hartree
684	B1	0	5.08516 Hartree
685	A1	0	5.26697 Hartree
686	B2	0	5.26788 Hartree
687	A1	0	5.40466 Hartree
688	B2	0	5.40504 Hartree
689	A1	0	5.49361 Hartree
690	B2	0	5.49379 Hartree
691	B2	0	5.93174 Hartree
692	A1	0	5.99080 Hartree
693	B2	0	6.05781 Hartree
694	A1	0	6.05842 Hartree
695	B1	0	6.82148 Hartree
696	A2	0	6.82156 Hartree
697	A1	0	6.88376 Hartree
698	B2	0	6.88396 Hartree
699	A2	0	6.97200 Hartree
700	B1	0	6.98840 Hartree
701	B1	0	7.02018 Hartree
702	A2	0	7.04260 Hartree
703	B1	0	7.05848 Hartree
704	A2	0	7.05956 Hartree
705	B2	0	7.07919 Hartree
706	A1	0	7.07940 Hartree
707	A1	0	7.25603 Hartree
708	B2	0	7.25662 Hartree
709	A1	0	7.30108 Hartree
710	B2	0	7.30144 Hartree
711	A1	0	7.43178 Hartree
712	B2	0	7.45069 Hartree
713	A1	0	7.52936 Hartree
714	B2	0	7.54286 Hartree
715	A1	0	23.70989 Hartree
716	B2	0	23.72545 Hartree
717	A1	0	23.91435 Hartree
718	A1	0	23.94523 Hartree
719	B2	0	23.94550 Hartree
720	A1	0	23.96713 Hartree
721	B2	0	23.98047 Hartree
722	A1	0	24.03343 Hartree
723	B2	0	24.03664 Hartree
724	A1	0	24.04617 Hartree
725	B2	0	24.05482 Hartree
726	A1	0	24.09617 Hartree
727	B2	0	24.09833 Hartree
728	A1	0	24.13479 Hartree
729	B2	0	24.14323 Hartree
730	A1	0	24.18382 Hartree
731	B2	0	24.18672 Hartree
732	A1	0	24.20861 Hartree
733	B2	0	24.20963 Hartree
734	A1	0	50.04829 Hartree
735	B2	0	50.05815 Hartree
736	A1	0	50.05870 Hartree
737	B2	0	50.06524 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom	Symbol	Charge
1	C	-0.66567
2	C	0.56288
3	C	-0.18960
4	C	-0.15354
5	C	-0.24474
6	C	0.35086
7	C	-0.29688
8	C	-0.11106
9	H	0.23015
10	H	0.21269
11	O	-0.54946
12	C	-0.02037
13	C	-0.40996
14	C	-0.02037
15	O	-0.54946
16	C	0.35086
17	C	-0.29688
18	C	-0.11106
19	C	-0.18960
20	C	-0.15354
21	C	-0.24474
22	H	0.22025
23	H	0.20939
24	C	0.56288
25	C	-0.66567
26	H	0.22761
27	H	0.21816
28	H	0.21816
29	O	-0.57476
30	H	0.23015
31	H	0.21269
32	H	0.17312
33	H	0.17312
34	H	0.21469
35	H	0.21469
36	H	0.17312
37	H	0.17312
38	H	0.22025
39	H	0.20939
40	O	-0.57476
41	H	0.22761
42	H	0.21816
43	H	0.21816

Natural Atomic Orbitals

Display Range		- / 741
Orbital	Description	Occupancy	Energy	Actions
1	C1 Cor(1S)	1.999279956	-10.035138251 Hartree
2	C1 Val(2S)	1.114371657	-0.270860797 Hartree
3	C1 Ryd(3S)	0.000505504	0.766827459 Hartree
4	C1 Ryd(4S)	0.000262078	1.061046765 Hartree
5	C1 Ryd(5S)	0.000002138	23.274039267 Hartree
6	C1 Val(2p)	1.204757676	-0.112007376 Hartree
7	C1 Ryd(4p)	0.000139570	0.579362959 Hartree
8	C1 Ryd(3p)	0.000023377	0.270627993 Hartree
9	C1 Ryd(5p)	0.000029096	2.983111169 Hartree
10	C1 Val(2p)	1.162039930	-0.112624619 Hartree
11	C1 Ryd(4p)	0.001711843	0.749957112 Hartree
12	C1 Ryd(3p)	0.000307649	0.291254844 Hartree
13	C1 Ryd(5p)	0.000071410	2.965048865 Hartree
14	C1 Val(2p)	1.173978668	-0.108905092 Hartree
15	C1 Ryd(4p)	0.001986272	0.666661203 Hartree
16	C1 Ryd(3p)	0.000126336	0.365784443 Hartree
17	C1 Ryd(5p)	0.000027864	2.973198656 Hartree
18	C1 Ryd(3d)	0.000446644	1.292475032 Hartree
19	C1 Ryd(4d)	0.000099201	2.781373138 Hartree
20	C1 Ryd(3d)	0.001498007	1.632507124 Hartree
21	C1 Ryd(4d)	0.000061898	3.125497818 Hartree
22	C1 Ryd(3d)	0.001608730	1.826239698 Hartree
23	C1 Ryd(4d)	0.000103199	3.223420727 Hartree
24	C1 Ryd(3d)	0.001643375	1.700052822 Hartree
25	C1 Ryd(4d)	0.000056839	3.204319576 Hartree
26	C1 Ryd(3d)	0.000415757	1.529381123 Hartree
27	C1 Ryd(4d)	0.000111186	3.042567491 Hartree
28	C2 Cor(1S)	1.999275518	-10.136098223 Hartree
29	C2 Val(2S)	0.843789906	-0.154250873 Hartree
30	C2 Ryd(3S)	0.004080150	0.933845716 Hartree
31	C2 Ryd(4S)	0.000159437	1.400664270 Hartree
32	C2 Ryd(5S)	0.000036548	21.753397612 Hartree
33	C2 Val(2p)	0.735775014	-0.114370107 Hartree
34	C2 Ryd(4p)	0.000912429	0.719438431 Hartree
35	C2 Ryd(3p)	0.000447145	0.364845633 Hartree
36	C2 Ryd(5p)	0.000175153	2.543530873 Hartree
37	C2 Val(2p)	1.003286167	-0.049462971 Hartree
38	C2 Ryd(4p)	0.004047228	1.400091152 Hartree
39	C2 Ryd(3p)	0.000511666	0.572625593 Hartree
40	C2 Ryd(5p)	0.000208843	2.421857713 Hartree
41	C2 Val(2p)	0.821733339	-0.014485857 Hartree
42	C2 Ryd(4p)	0.016971466	1.138900825 Hartree
43	C2 Ryd(3p)	0.000402033	0.526204143 Hartree
44	C2 Ryd(5p)	0.000099269	2.824960493 Hartree
45	C2 Ryd(4d)	0.000483794	2.669459334 Hartree
46	C2 Ryd(3d)	0.000090749	2.392672801 Hartree
47	C2 Ryd(4d)	0.001158459	2.885460582 Hartree
48	C2 Ryd(3d)	0.000061925	2.528499604 Hartree
49	C2 Ryd(3d)	0.001780111	3.364779456 Hartree
50	C2 Ryd(4d)	0.000058288	3.451289372 Hartree
51	C2 Ryd(4d)	0.000271432	2.860879515 Hartree
52	C2 Ryd(3d)	0.000110897	2.823180049 Hartree
53	C2 Ryd(4d)	0.001137033	3.400343445 Hartree
54	C2 Ryd(3d)	0.000054609	3.027798599 Hartree
55	C3 Cor(1S)	1.998921984	-10.041044667 Hartree
56	C3 Val(2S)	0.904606940	-0.147833535 Hartree
57	C3 Ryd(3S)	0.001597384	0.969549987 Hartree
58	C3 Ryd(4S)	0.000076539	1.020841716 Hartree
59	C3 Ryd(5S)	0.000014405	22.016367667 Hartree
60	C3 Val(2p)	1.071611672	-0.117905787 Hartree
61	C3 Ryd(4p)	0.000969782	0.585585105 Hartree
62	C3 Ryd(3p)	0.000288721	0.359059978 Hartree
63	C3 Ryd(5p)	0.000015569	2.819128452 Hartree
64	C3 Val(2p)	1.097424833	-0.081788274 Hartree
65	C3 Ryd(4p)	0.006822312	1.241248080 Hartree
66	C3 Ryd(3p)	0.000139660	0.798118206 Hartree
67	C3 Ryd(5p)	0.000125953	3.550255070 Hartree
68	C3 Val(2p)	1.095748979	-0.073861991 Hartree
69	C3 Ryd(4p)	0.005364420	1.296657306 Hartree
70	C3 Ryd(3p)	0.000217915	0.690300971 Hartree
71	C3 Ryd(5p)	0.000173689	3.607286712 Hartree
72	C3 Ryd(3d)	0.000315464	1.109457780 Hartree
73	C3 Ryd(4d)	0.000176223	3.315917073 Hartree
74	C3 Ryd(3d)	0.000242051	1.163071261 Hartree
75	C3 Ryd(4d)	0.000208701	3.321665277 Hartree
76	C3 Ryd(3d)	0.000610798	1.958181082 Hartree
77	C3 Ryd(4d)	0.000701470	3.772336011 Hartree
78	C3 Ryd(3d)	0.001206834	1.644040890 Hartree
79	C3 Ryd(4d)	0.000228843	3.628022215 Hartree
80	C3 Ryd(3d)	0.001228817	2.042494197 Hartree
81	C3 Ryd(4d)	0.000562439	3.616192258 Hartree
82	C4 Cor(1S)	1.999093463	-10.046248016 Hartree
83	C4 Val(2S)	0.938533251	-0.173222189 Hartree
84	C4 Ryd(3S)	0.000862551	1.736884953 Hartree
85	C4 Ryd(4S)	0.000109891	1.949375808 Hartree
86	C4 Ryd(5S)	0.000016460	19.861567041 Hartree
87	C4 Val(2p)	0.966016024	-0.124844725 Hartree
88	C4 Ryd(4p)	0.000837458	0.523008315 Hartree
89	C4 Ryd(3p)	0.000523742	0.330288477 Hartree
90	C4 Ryd(5p)	0.000016871	2.792514373 Hartree
91	C4 Val(2p)	1.122224052	-0.069347554 Hartree
92	C4 Ryd(4p)	0.003577879	1.168900509 Hartree
93	C4 Ryd(3p)	0.000362045	0.592223876 Hartree
94	C4 Ryd(5p)	0.000123752	3.508347397 Hartree
95	C4 Val(2p)	1.110877255	-0.060604357 Hartree
96	C4 Ryd(4p)	0.004896633	1.026905321 Hartree
97	C4 Ryd(3p)	0.000340214	0.614370243 Hartree
98	C4 Ryd(5p)	0.000122056	3.443436568 Hartree
99	C4 Ryd(3d)	0.000461389	1.404424115 Hartree
100	C4 Ryd(4d)	0.000104191	2.965732676 Hartree
101	C4 Ryd(3d)	0.000312241	1.425680033 Hartree
102	C4 Ryd(4d)	0.000081383	2.994325571 Hartree
103	C4 Ryd(3d)	0.000694412	2.302684039 Hartree
104	C4 Ryd(4d)	0.000811859	3.684823184 Hartree
105	C4 Ryd(3d)	0.001243471	2.011532315 Hartree
106	C4 Ryd(4d)	0.000122429	3.386682179 Hartree
107	C4 Ryd(3d)	0.000882371	2.082440371 Hartree
108	C4 Ryd(4d)	0.000292641	3.503112832 Hartree
109	C5 Cor(1S)	1.999050115	-10.039514170 Hartree
110	C5 Val(2S)	0.946098557	-0.177695497 Hartree
111	C5 Ryd(3S)	0.001553723	1.277548091 Hartree
112	C5 Ryd(4S)	0.000047931	2.304220972 Hartree
113	C5 Ryd(5S)	0.000010718	19.953060310 Hartree
114	C5 Val(2p)	1.040013427	-0.125285787 Hartree
115	C5 Ryd(4p)	0.001228038	0.539146971 Hartree
116	C5 Ryd(3p)	0.000409463	0.418319237 Hartree
117	C5 Ryd(5p)	0.000022628	2.669824911 Hartree
118	C5 Val(2p)	1.069946481	-0.067083980 Hartree
119	C5 Ryd(4p)	0.004845763	1.050692539 Hartree
120	C5 Ryd(3p)	0.000307665	0.757128935 Hartree
121	C5 Ryd(5p)	0.000166312	3.108953639 Hartree
122	C5 Val(2p)	1.169422191	-0.076279349 Hartree
123	C5 Ryd(4p)	0.005961600	1.219061167 Hartree
124	C5 Ryd(3p)	0.000202099	0.635909686 Hartree
125	C5 Ryd(5p)	0.000091288	3.218411721 Hartree
126	C5 Ryd(3d)	0.000143626	1.280501008 Hartree
127	C5 Ryd(4d)	0.000176407	3.181109363 Hartree
128	C5 Ryd(3d)	0.000595362	1.180260503 Hartree
129	C5 Ryd(4d)	0.000034102	3.109682262 Hartree
130	C5 Ryd(3d)	0.001001163	2.171391541 Hartree
131	C5 Ryd(4d)	0.000437582	3.695588515 Hartree
132	C5 Ryd(3d)	0.001477505	2.179189921 Hartree
133	C5 Ryd(4d)	0.000185884	3.519279891 Hartree
134	C5 Ryd(3d)	0.000770289	1.744735320 Hartree
135	C5 Ryd(4d)	0.000538176	3.615457568 Hartree
136	C6 Cor(1S)	1.998797633	-10.122920739 Hartree
137	C6 Val(2S)	0.827766628	-0.150677863 Hartree
138	C6 Ryd(3S)	0.000871880	1.129577519 Hartree
139	C6 Ryd(4S)	0.000069041	9.161245819 Hartree
140	C6 Ryd(5S)	0.000011955	12.928105755 Hartree
141	C6 Val(2p)	0.952460006	-0.135011531 Hartree
142	C6 Ryd(4p)	0.000544598	0.623282155 Hartree
143	C6 Ryd(3p)	0.000303761	0.466708713 Hartree
144	C6 Ryd(5p)	0.000055352	2.695137322 Hartree
145	C6 Val(2p)	0.796131257	-0.047557611 Hartree
146	C6 Ryd(4p)	0.006406403	1.264677549 Hartree
147	C6 Ryd(3p)	0.000137609	0.902346406 Hartree
148	C6 Ryd(5p)	0.000078436	3.264612034 Hartree
149	C6 Val(2p)	1.052446424	-0.072625998 Hartree
150	C6 Ryd(4p)	0.006152180	1.325939435 Hartree
151	C6 Ryd(3p)	0.000196046	0.734348048 Hartree
152	C6 Ryd(5p)	0.000161517	3.012436960 Hartree
153	C6 Ryd(3d)	0.001326904	2.016010490 Hartree
154	C6 Ryd(4d)	0.000098579	2.551695963 Hartree
155	C6 Ryd(3d)	0.000454402	1.957138929 Hartree
156	C6 Ryd(4d)	0.000099369	2.605079706 Hartree
157	C6 Ryd(3d)	0.000878164	2.728059870 Hartree
158	C6 Ryd(4d)	0.000660092	3.680452355 Hartree
159	C6 Ryd(3d)	0.001062480	2.293790177 Hartree
160	C6 Ryd(4d)	0.000397579	3.098222728 Hartree
161	C6 Ryd(3d)	0.000801122	2.690982792 Hartree
162	C6 Ryd(4d)	0.000771441	3.353654780 Hartree
163	C7 Cor(1S)	1.999059967	-10.043226446 Hartree
164	C7 Val(2S)	0.947606702	-0.181025354 Hartree
165	C7 Ryd(3S)	0.001914970	0.917771437 Hartree
166	C7 Ryd(4S)	0.000077063	0.973334002 Hartree
167	C7 Ryd(5S)	0.000026115	22.096129723 Hartree
168	C7 Val(2p)	1.072337838	-0.131680246 Hartree
169	C7 Ryd(4p)	0.001870963	0.490482664 Hartree
170	C7 Ryd(3p)	0.000638516	0.432094311 Hartree
171	C7 Ryd(5p)	0.000016389	2.740875913 Hartree
172	C7 Val(2p)	1.145863371	-0.083265814 Hartree
173	C7 Ryd(4p)	0.004017181	1.032977316 Hartree
174	C7 Ryd(3p)	0.000385495	0.850943481 Hartree
175	C7 Ryd(5p)	0.000116296	3.336134999 Hartree
176	C7 Val(2p)	1.113320433	-0.073810511 Hartree
177	C7 Ryd(4p)	0.004051871	1.106763697 Hartree
178	C7 Ryd(3p)	0.000305053	0.891048270 Hartree
179	C7 Ryd(5p)	0.000137891	3.247357178 Hartree
180	C7 Ryd(3d)	0.000308796	1.303318586 Hartree
181	C7 Ryd(4d)	0.000105490	3.080549259 Hartree
182	C7 Ryd(3d)	0.000460417	1.325865445 Hartree
183	C7 Ryd(4d)	0.000035688	3.085498633 Hartree
184	C7 Ryd(3d)	0.000676812	2.114787866 Hartree
185	C7 Ryd(4d)	0.000833547	3.681025272 Hartree
186	C7 Ryd(3d)	0.001184847	1.757524425 Hartree
187	C7 Ryd(4d)	0.000124883	3.418497077 Hartree
188	C7 Ryd(3d)	0.001148893	2.176244755 Hartree
189	C7 Ryd(4d)	0.000259124	3.588192139 Hartree
190	C8 Cor(1S)	1.998899041	-10.043332326 Hartree
191	C8 Val(2S)	0.928505514	-0.175568183 Hartree
192	C8 Ryd(3S)	0.000386197	1.001097658 Hartree
193	C8 Ryd(4S)	0.000040603	22.035263356 Hartree
194	C8 Val(2p)	0.924833198	-0.116480420 Hartree
195	C8 Ryd(4p)	0.000551027	0.524586193 Hartree
196	C8 Ryd(3p)	0.000515350	0.318223034 Hartree
197	C8 Ryd(5p)	0.000016856	2.804473646 Hartree
198	C8 Val(2p)	1.056248076	-0.052336925 Hartree
199	C8 Ryd(4p)	0.004555949	1.018812533 Hartree
200	C8 Ryd(3p)	0.000312163	0.725308438 Hartree
201	C8 Ryd(5p)	0.000182001	3.518412469 Hartree
202	C8 Val(2p)	1.180768723	-0.067596337 Hartree
203	C8 Ryd(4p)	0.007924284	0.965371646 Hartree
204	C8 Ryd(3p)	0.000177271	0.537310268 Hartree
205	C8 Ryd(5p)	0.000071186	3.551231833 Hartree
206	C8 Ryd(3d)	0.000180686	1.174182475 Hartree
207	C8 Ryd(4d)	0.000256738	3.313577155 Hartree
208	C8 Ryd(3d)	0.000430024	1.051198837 Hartree
209	C8 Ryd(4d)	0.000056169	3.243609600 Hartree
210	C8 Ryd(3d)	0.000833976	2.010343428 Hartree
211	C8 Ryd(4d)	0.000496903	3.745554985 Hartree
212	C8 Ryd(3d)	0.003062467	1.516927933 Hartree
213	C8 Ryd(4d)	0.000177416	3.517547360 Hartree
214	C8 Ryd(3d)	0.000998546	1.702782690 Hartree
215	C8 Ryd(4d)	0.000582886	3.740853298 Hartree
216	H9 Val(1S)	0.767944734	0.059952615 Hartree
217	H9 Ryd(2S)	0.001100380	1.505489545 Hartree
218	H9 Ryd(3S)	0.000142117	1.650636489 Hartree
219	H9 Ryd(2p)	0.000182034	1.929928190 Hartree
220	H9 Ryd(2p)	0.000104349	2.637474223 Hartree
221	H9 Ryd(2p)	0.000371862	2.909082141 Hartree
222	H10 Val(1S)	0.785683410	0.029829363 Hartree
223	H10 Ryd(2S)	0.000768422	1.191750757 Hartree
224	H10 Ryd(3S)	0.000155231	1.807736847 Hartree
225	H10 Ryd(2p)	0.000247289	1.946740663 Hartree
226	H10 Ryd(2p)	0.000209440	2.782302976 Hartree
227	H10 Ryd(2p)	0.000244704	2.769658689 Hartree
228	O11 Cor(1S)	1.999694828	-18.971003260 Hartree
229	O11 Val(2S)	1.588085214	-0.887361901 Hartree
230	O11 Ryd(3S)	0.003964690	1.344578640 Hartree
231	O11 Ryd(4S)	0.000029353	1.439613229 Hartree
232	O11 Ryd(5S)	0.000000989	49.265695348 Hartree
233	O11 Val(2p)	1.833482053	-0.334981256 Hartree
234	O11 Ryd(3p)	0.003230802	0.535031660 Hartree
235	O11 Ryd(4p)	0.000723497	0.815904379 Hartree
236	O11 Ryd(5p)	0.000005472	4.934861024 Hartree
237	O11 Val(2p)	1.376661778	-0.331414142 Hartree
238	O11 Ryd(4p)	0.002409886	1.360917799 Hartree
239	O11 Ryd(3p)	0.000983021	1.174396851 Hartree
240	O11 Ryd(5p)	0.000047020	4.686232780 Hartree
241	O11 Val(2p)	1.724616916	-0.351700108 Hartree
242	O11 Ryd(3p)	0.004388615	0.758511531 Hartree
243	O11 Ryd(4p)	0.000632779	0.981661729 Hartree
244	O11 Ryd(5p)	0.000085441	5.023187293 Hartree
245	O11 Ryd(3d)	0.000295798	1.787658837 Hartree
246	O11 Ryd(4d)	0.000063173	6.924238795 Hartree
247	O11 Ryd(3d)	0.002047898	1.729166672 Hartree
248	O11 Ryd(4d)	0.000015449	6.875087984 Hartree
249	O11 Ryd(3d)	0.003521185	2.293133944 Hartree
250	O11 Ryd(4d)	0.000051591	7.169692594 Hartree
251	O11 Ryd(3d)	0.001651099	1.948806352 Hartree
252	O11 Ryd(4d)	0.000035005	6.995203857 Hartree
253	O11 Ryd(3d)	0.002672233	1.934606357 Hartree
254	O11 Ryd(4d)	0.000059846	7.021709566 Hartree
255	C12 Cor(1S)	1.999141576	-10.126585168 Hartree
256	C12 Val(2S)	1.009444135	-0.268937778 Hartree
257	C12 Ryd(3S)	0.003314950	0.998811780 Hartree
258	C12 Ryd(4S)	0.000148687	1.688676358 Hartree
259	C12 Ryd(5S)	0.000005823	22.612289999 Hartree
260	C12 Val(2p)	1.182068167	-0.128747793 Hartree
261	C12 Ryd(4p)	0.001307802	0.743556638 Hartree
262	C12 Ryd(3p)	0.000706802	0.577522621 Hartree
263	C12 Ryd(5p)	0.000110501	2.778813808 Hartree
264	C12 Val(2p)	0.829244373	-0.104521746 Hartree
265	C12 Ryd(4p)	0.002296186	1.005062883 Hartree
266	C12 Ryd(3p)	0.000333060	0.874575598 Hartree
267	C12 Ryd(5p)	0.000122377	2.912841867 Hartree
268	C12 Val(2p)	0.982176080	-0.117054996 Hartree
269	C12 Ryd(3p)	0.002695485	0.737175527 Hartree
270	C12 Ryd(4p)	0.000201213	0.759966691 Hartree
271	C12 Ryd(5p)	0.000173957	2.858419856 Hartree
272	C12 Ryd(3d)	0.000798840	1.795116960 Hartree
273	C12 Ryd(4d)	0.000191133	2.452618899 Hartree
274	C12 Ryd(3d)	0.001668842	2.015688780 Hartree
275	C12 Ryd(4d)	0.000095691	2.927198492 Hartree
276	C12 Ryd(3d)	0.001420512	2.273121092 Hartree
277	C12 Ryd(4d)	0.000156638	3.311118290 Hartree
278	C12 Ryd(3d)	0.002025223	2.109016746 Hartree
279	C12 Ryd(4d)	0.000069794	3.150301799 Hartree
280	C12 Ryd(3d)	0.000212799	1.930213400 Hartree
281	C12 Ryd(4d)	0.000239521	2.818657706 Hartree
282	C13 Cor(1S)	1.999258428	-10.056435456 Hartree
283	C13 Val(2S)	1.038178041	-0.266692952 Hartree
284	C13 Ryd(3S)	0.001836082	1.014173012 Hartree
285	C13 Ryd(4S)	0.000119018	2.051417005 Hartree
286	C13 Ryd(5S)	0.000001255	22.041157471 Hartree
287	C13 Val(2p)	1.217421155	-0.117144597 Hartree
288	C13 Ryd(4p)	0.002372222	0.694651628 Hartree
289	C13 Ryd(3p)	0.000178245	0.326254325 Hartree
290	C13 Ryd(5p)	0.000045207	3.186368386 Hartree
291	C13 Val(2p)	1.013966294	-0.110078795 Hartree
292	C13 Ryd(3p)	0.003866040	0.808978419 Hartree
293	C13 Ryd(4p)	0.000155584	0.850552128 Hartree
294	C13 Ryd(5p)	0.000154917	3.074657680 Hartree
295	C13 Val(2p)	1.124658456	-0.119828605 Hartree
296	C13 Ryd(4p)	0.002232904	0.612824182 Hartree
297	C13 Ryd(3p)	0.000121637	0.489400481 Hartree
298	C13 Ryd(5p)	0.000102170	3.069851761 Hartree
299	C13 Ryd(3d)	0.000056788	1.516030847 Hartree
300	C13 Ryd(4d)	0.000225340	2.762320695 Hartree
301	C13 Ryd(3d)	0.001413692	1.692318388 Hartree
302	C13 Ryd(4d)	0.000106546	3.258980878 Hartree
303	C13 Ryd(3d)	0.001281328	1.927667355 Hartree
304	C13 Ryd(4d)	0.000133815	3.451788584 Hartree
305	C13 Ryd(3d)	0.001294676	1.812044549 Hartree
306	C13 Ryd(4d)	0.000160046	3.341948058 Hartree
307	C13 Ryd(3d)	0.000215874	1.550493810 Hartree
308	C13 Ryd(4d)	0.000399543	2.950188038 Hartree
309	C14 Cor(1S)	1.999141576	-10.126585168 Hartree
310	C14 Val(2S)	1.009444135	-0.268937778 Hartree
311	C14 Ryd(3S)	0.003314950	0.998811780 Hartree
312	C14 Ryd(4S)	0.000148687	1.688678335 Hartree
313	C14 Ryd(5S)	0.000005823	22.612288021 Hartree
314	C14 Val(2p)	1.182068167	-0.128747793 Hartree
315	C14 Ryd(4p)	0.001307802	0.743556638 Hartree
316	C14 Ryd(3p)	0.000706802	0.577522633 Hartree
317	C14 Ryd(5p)	0.000110501	2.778813796 Hartree
318	C14 Val(2p)	0.829244373	-0.104521746 Hartree
319	C14 Ryd(4p)	0.002296186	1.005062883 Hartree
320	C14 Ryd(3p)	0.000333060	0.874575603 Hartree
321	C14 Ryd(5p)	0.000122377	2.912841862 Hartree
322	C14 Val(2p)	0.982176080	-0.117054996 Hartree
323	C14 Ryd(3p)	0.002695485	0.737175527 Hartree
324	C14 Ryd(4p)	0.000201213	0.759966701 Hartree
325	C14 Ryd(5p)	0.000173957	2.858419846 Hartree
326	C14 Ryd(3d)	0.000798840	1.795116960 Hartree
327	C14 Ryd(4d)	0.000191133	2.452618899 Hartree
328	C14 Ryd(3d)	0.001668842	2.015688780 Hartree
329	C14 Ryd(4d)	0.000095691	2.927198492 Hartree
330	C14 Ryd(3d)	0.001420512	2.273121092 Hartree
331	C14 Ryd(4d)	0.000156638	3.311118290 Hartree
332	C14 Ryd(3d)	0.002025223	2.109016746 Hartree
333	C14 Ryd(4d)	0.000069794	3.150301799 Hartree
334	C14 Ryd(3d)	0.000212799	1.930213400 Hartree
335	C14 Ryd(4d)	0.000239521	2.818657706 Hartree
336	O15 Cor(1S)	1.999694828	-18.971003260 Hartree
337	O15 Val(2S)	1.588085214	-0.887361901 Hartree
338	O15 Ryd(3S)	0.003964690	1.344578640 Hartree
339	O15 Ryd(4S)	0.000029353	1.439613229 Hartree
340	O15 Ryd(5S)	0.000000989	49.265695348 Hartree
341	O15 Val(2p)	1.833482053	-0.334981256 Hartree
342	O15 Ryd(3p)	0.003230802	0.535031660 Hartree
343	O15 Ryd(4p)	0.000723497	0.815904379 Hartree
344	O15 Ryd(5p)	0.000005472	4.934861024 Hartree
345	O15 Val(2p)	1.376661778	-0.331414142 Hartree
346	O15 Ryd(4p)	0.002409886	1.360917799 Hartree
347	O15 Ryd(3p)	0.000983021	1.174396851 Hartree
348	O15 Ryd(5p)	0.000047020	4.686232780 Hartree
349	O15 Val(2p)	1.724616916	-0.351700108 Hartree
350	O15 Ryd(3p)	0.004388615	0.758511531 Hartree
351	O15 Ryd(4p)	0.000632779	0.981661729 Hartree
352	O15 Ryd(5p)	0.000085441	5.023187293 Hartree
353	O15 Ryd(3d)	0.000295798	1.787658837 Hartree
354	O15 Ryd(4d)	0.000063173	6.924238795 Hartree
355	O15 Ryd(3d)	0.002047898	1.729166672 Hartree
356	O15 Ryd(4d)	0.000015449	6.875087984 Hartree
357	O15 Ryd(3d)	0.003521185	2.293133944 Hartree
358	O15 Ryd(4d)	0.000051591	7.169692594 Hartree
359	O15 Ryd(3d)	0.001651099	1.948806352 Hartree
360	O15 Ryd(4d)	0.000035005	6.995203857 Hartree
361	O15 Ryd(3d)	0.002672233	1.934606357 Hartree
362	O15 Ryd(4d)	0.000059846	7.021709566 Hartree
363	C16 Cor(1S)	1.998797633	-10.122920739 Hartree
364	C16 Val(2S)	0.827766628	-0.150677863 Hartree
365	C16 Ryd(3S)	0.000871880	1.129577519 Hartree
366	C16 Ryd(4S)	0.000069041	9.161241104 Hartree
367	C16 Ryd(5S)	0.000011955	12.928110471 Hartree
368	C16 Val(2p)	0.952460006	-0.135011531 Hartree
369	C16 Ryd(4p)	0.000544598	0.623282155 Hartree
370	C16 Ryd(3p)	0.000303761	0.466708719 Hartree
371	C16 Ryd(5p)	0.000055352	2.695137315 Hartree
372	C16 Val(2p)	0.796131257	-0.047557611 Hartree
373	C16 Ryd(4p)	0.006406403	1.264677549 Hartree
374	C16 Ryd(3p)	0.000137609	0.902346413 Hartree
375	C16 Ryd(5p)	0.000078436	3.264612026 Hartree
376	C16 Val(2p)	1.052446424	-0.072625998 Hartree
377	C16 Ryd(4p)	0.006152180	1.325939435 Hartree
378	C16 Ryd(3p)	0.000196046	0.734348055 Hartree
379	C16 Ryd(5p)	0.000161517	3.012436953 Hartree
380	C16 Ryd(3d)	0.001326904	2.016010490 Hartree
381	C16 Ryd(4d)	0.000098579	2.551695963 Hartree
382	C16 Ryd(3d)	0.000454402	1.957138929 Hartree
383	C16 Ryd(4d)	0.000099369	2.605079706 Hartree
384	C16 Ryd(3d)	0.000878164	2.728059870 Hartree
385	C16 Ryd(4d)	0.000660092	3.680452355 Hartree
386	C16 Ryd(3d)	0.001062480	2.293790177 Hartree
387	C16 Ryd(4d)	0.000397579	3.098222728 Hartree
388	C16 Ryd(3d)	0.000801122	2.690982792 Hartree
389	C16 Ryd(4d)	0.000771441	3.353654780 Hartree
390	C17 Cor(1S)	1.999059967	-10.043226446 Hartree
391	C17 Val(2S)	0.947606702	-0.181025354 Hartree
392	C17 Ryd(3S)	0.001914970	0.917771438 Hartree
393	C17 Ryd(4S)	0.000077063	0.973334000 Hartree
394	C17 Ryd(5S)	0.000026115	22.096129723 Hartree
395	C17 Val(2p)	1.072337838	-0.131680246 Hartree
396	C17 Ryd(4p)	0.001870963	0.490482664 Hartree
397	C17 Ryd(3p)	0.000638516	0.432094311 Hartree
398	C17 Ryd(5p)	0.000016389	2.740875913 Hartree
399	C17 Val(2p)	1.145863371	-0.083265814 Hartree
400	C17 Ryd(4p)	0.004017181	1.032977316 Hartree
401	C17 Ryd(3p)	0.000385495	0.850943481 Hartree
402	C17 Ryd(5p)	0.000116296	3.336134999 Hartree
403	C17 Val(2p)	1.113320433	-0.073810511 Hartree
404	C17 Ryd(4p)	0.004051871	1.106763697 Hartree
405	C17 Ryd(3p)	0.000305053	0.891048270 Hartree
406	C17 Ryd(5p)	0.000137891	3.247357179 Hartree
407	C17 Ryd(3d)	0.000308796	1.303318586 Hartree
408	C17 Ryd(4d)	0.000105490	3.080549259 Hartree
409	C17 Ryd(3d)	0.000460417	1.325865445 Hartree
410	C17 Ryd(4d)	0.000035688	3.085498633 Hartree
411	C17 Ryd(3d)	0.000676812	2.114787866 Hartree
412	C17 Ryd(4d)	0.000833547	3.681025272 Hartree
413	C17 Ryd(3d)	0.001184847	1.757524425 Hartree
414	C17 Ryd(4d)	0.000124883	3.418497077 Hartree
415	C17 Ryd(3d)	0.001148893	2.176244755 Hartree
416	C17 Ryd(4d)	0.000259124	3.588192139 Hartree
417	C18 Cor(1S)	1.998899041	-10.043332326 Hartree
418	C18 Val(2S)	0.928505514	-0.175568183 Hartree
419	C18 Ryd(3S)	0.000386197	1.001097661 Hartree
420	C18 Ryd(4S)	0.000040603	22.035263352 Hartree
421	C18 Val(2p)	0.924833198	-0.116480420 Hartree
422	C18 Ryd(4p)	0.000551027	0.524586193 Hartree
423	C18 Ryd(3p)	0.000515350	0.318223034 Hartree
424	C18 Ryd(5p)	0.000016856	2.804473646 Hartree
425	C18 Val(2p)	1.056248076	-0.052336925 Hartree
426	C18 Ryd(4p)	0.004555949	1.018812533 Hartree
427	C18 Ryd(3p)	0.000312163	0.725308438 Hartree
428	C18 Ryd(5p)	0.000182001	3.518412469 Hartree
429	C18 Val(2p)	1.180768723	-0.067596337 Hartree
430	C18 Ryd(4p)	0.007924284	0.965371646 Hartree
431	C18 Ryd(3p)	0.000177271	0.537310268 Hartree
432	C18 Ryd(5p)	0.000071186	3.551231833 Hartree
433	C18 Ryd(3d)	0.000180686	1.174182475 Hartree
434	C18 Ryd(4d)	0.000256738	3.313577155 Hartree
435	C18 Ryd(3d)	0.000430024	1.051198837 Hartree
436	C18 Ryd(4d)	0.000056169	3.243609600 Hartree
437	C18 Ryd(3d)	0.000833976	2.010343428 Hartree
438	C18 Ryd(4d)	0.000496903	3.745554985 Hartree
439	C18 Ryd(3d)	0.003062467	1.516927933 Hartree
440	C18 Ryd(4d)	0.000177416	3.517547360 Hartree
441	C18 Ryd(3d)	0.000998546	1.702782690 Hartree
442	C18 Ryd(4d)	0.000582886	3.740853298 Hartree
443	C19 Cor(1S)	1.998921984	-10.041044667 Hartree
444	C19 Val(2S)	0.904606940	-0.147833535 Hartree
445	C19 Ryd(3S)	0.001597384	0.969549985 Hartree
446	C19 Ryd(4S)	0.000076539	1.020841720 Hartree
447	C19 Ryd(5S)	0.000014405	22.016367665 Hartree
448	C19 Val(2p)	1.071611672	-0.117905787 Hartree
449	C19 Ryd(4p)	0.000969782	0.585585105 Hartree
450	C19 Ryd(3p)	0.000288721	0.359059978 Hartree
451	C19 Ryd(5p)	0.000015569	2.819128452 Hartree
452	C19 Val(2p)	1.097424833	-0.081788274 Hartree
453	C19 Ryd(4p)	0.006822312	1.241248080 Hartree
454	C19 Ryd(3p)	0.000139660	0.798118207 Hartree
455	C19 Ryd(5p)	0.000125953	3.550255069 Hartree
456	C19 Val(2p)	1.095748979	-0.073861991 Hartree
457	C19 Ryd(4p)	0.005364420	1.296657306 Hartree
458	C19 Ryd(3p)	0.000217915	0.690300973 Hartree
459	C19 Ryd(5p)	0.000173689	3.607286710 Hartree
460	C19 Ryd(3d)	0.000315464	1.109457780 Hartree
461	C19 Ryd(4d)	0.000176223	3.315917073 Hartree
462	C19 Ryd(3d)	0.000242051	1.163071261 Hartree
463	C19 Ryd(4d)	0.000208701	3.321665277 Hartree
464	C19 Ryd(3d)	0.000610798	1.958181082 Hartree
465	C19 Ryd(4d)	0.000701470	3.772336011 Hartree
466	C19 Ryd(3d)	0.001206834	1.644040890 Hartree
467	C19 Ryd(4d)	0.000228843	3.628022215 Hartree
468	C19 Ryd(3d)	0.001228817	2.042494197 Hartree
469	C19 Ryd(4d)	0.000562439	3.616192258 Hartree
470	C20 Cor(1S)	1.999093463	-10.046248016 Hartree
471	C20 Val(2S)	0.938533251	-0.173222189 Hartree
472	C20 Ryd(3S)	0.000862551	1.736884947 Hartree
473	C20 Ryd(4S)	0.000109891	1.949379585 Hartree
474	C20 Ryd(5S)	0.000016460	19.861563270 Hartree
475	C20 Val(2p)	0.966016024	-0.124844725 Hartree
476	C20 Ryd(4p)	0.000837458	0.523008315 Hartree
477	C20 Ryd(3p)	0.000523742	0.330288477 Hartree
478	C20 Ryd(5p)	0.000016871	2.792514373 Hartree
479	C20 Val(2p)	1.122224052	-0.069347554 Hartree
480	C20 Ryd(4p)	0.003577879	1.168900509 Hartree
481	C20 Ryd(3p)	0.000362045	0.592223877 Hartree
482	C20 Ryd(5p)	0.000123752	3.508347396 Hartree
483	C20 Val(2p)	1.110877255	-0.060604357 Hartree
484	C20 Ryd(4p)	0.004896633	1.026905321 Hartree
485	C20 Ryd(3p)	0.000340214	0.614370243 Hartree
486	C20 Ryd(5p)	0.000122056	3.443436568 Hartree
487	C20 Ryd(3d)	0.000461389	1.404424115 Hartree
488	C20 Ryd(4d)	0.000104191	2.965732676 Hartree
489	C20 Ryd(3d)	0.000312241	1.425680033 Hartree
490	C20 Ryd(4d)	0.000081383	2.994325571 Hartree
491	C20 Ryd(3d)	0.000694412	2.302684039 Hartree
492	C20 Ryd(4d)	0.000811859	3.684823184 Hartree
493	C20 Ryd(3d)	0.001243471	2.011532315 Hartree
494	C20 Ryd(4d)	0.000122429	3.386682179 Hartree
495	C20 Ryd(3d)	0.000882371	2.082440371 Hartree
496	C20 Ryd(4d)	0.000292641	3.503112832 Hartree
497	C21 Cor(1S)	1.999050115	-10.039514170 Hartree
498	C21 Val(2S)	0.946098557	-0.177695497 Hartree
499	C21 Ryd(3S)	0.001553723	1.277548100 Hartree
500	C21 Ryd(4S)	0.000047931	2.304244347 Hartree
501	C21 Ryd(5S)	0.000010718	19.953036926 Hartree
502	C21 Val(2p)	1.040013427	-0.125285787 Hartree
503	C21 Ryd(4p)	0.001228038	0.539146971 Hartree
504	C21 Ryd(3p)	0.000409463	0.418319236 Hartree
505	C21 Ryd(5p)	0.000022628	2.669824911 Hartree
506	C21 Val(2p)	1.069946481	-0.067083980 Hartree
507	C21 Ryd(4p)	0.004845763	1.050692539 Hartree
508	C21 Ryd(3p)	0.000307665	0.757128934 Hartree
509	C21 Ryd(5p)	0.000166312	3.108953640 Hartree
510	C21 Val(2p)	1.169422191	-0.076279349 Hartree
511	C21 Ryd(4p)	0.005961600	1.219061167 Hartree
512	C21 Ryd(3p)	0.000202099	0.635909684 Hartree
513	C21 Ryd(5p)	0.000091288	3.218411723 Hartree
514	C21 Ryd(3d)	0.000143626	1.280501008 Hartree
515	C21 Ryd(4d)	0.000176407	3.181109363 Hartree
516	C21 Ryd(3d)	0.000595362	1.180260503 Hartree
517	C21 Ryd(4d)	0.000034102	3.109682262 Hartree
518	C21 Ryd(3d)	0.001001163	2.171391541 Hartree
519	C21 Ryd(4d)	0.000437582	3.695588515 Hartree
520	C21 Ryd(3d)	0.001477505	2.179189921 Hartree
521	C21 Ryd(4d)	0.000185884	3.519279891 Hartree
522	C21 Ryd(3d)	0.000770289	1.744735320 Hartree
523	C21 Ryd(4d)	0.000538176	3.615457568 Hartree
524	H22 Val(1S)	0.778092672	0.036757915 Hartree
525	H22 Ryd(2S)	0.000857621	1.434916426 Hartree
526	H22 Ryd(3S)	0.000119037	1.635911447 Hartree
527	H22 Ryd(2p)	0.000215235	1.947760181 Hartree
528	H22 Ryd(2p)	0.000066265	2.645497786 Hartree
529	H22 Ryd(2p)	0.000404119	2.885267298 Hartree
530	H23 Val(1S)	0.789216292	0.034991882 Hartree
531	H23 Ryd(2S)	0.000552104	1.240823286 Hartree
532	H23 Ryd(3S)	0.000161844	1.806329943 Hartree
533	H23 Ryd(2p)	0.000206811	1.914497567 Hartree
534	H23 Ryd(2p)	0.000213395	2.777096794 Hartree
535	H23 Ryd(2p)	0.000257924	2.766534052 Hartree
536	C24 Cor(1S)	1.999275518	-10.136098223 Hartree
537	C24 Val(2S)	0.843789906	-0.154250873 Hartree
538	C24 Ryd(3S)	0.004080150	0.933845716 Hartree
539	C24 Ryd(4S)	0.000159437	1.400662990 Hartree
540	C24 Ryd(5S)	0.000036548	21.753398892 Hartree
541	C24 Val(2p)	0.735775014	-0.114370107 Hartree
542	C24 Ryd(4p)	0.000912429	0.719438431 Hartree
543	C24 Ryd(3p)	0.000447145	0.364845632 Hartree
544	C24 Ryd(5p)	0.000175153	2.543530874 Hartree
545	C24 Val(2p)	1.003286167	-0.049462971 Hartree
546	C24 Ryd(4p)	0.004047228	1.400091152 Hartree
547	C24 Ryd(3p)	0.000511666	0.572625592 Hartree
548	C24 Ryd(5p)	0.000208843	2.421857714 Hartree
549	C24 Val(2p)	0.821733339	-0.014485857 Hartree
550	C24 Ryd(4p)	0.016971466	1.138900825 Hartree
551	C24 Ryd(3p)	0.000402033	0.526204141 Hartree
552	C24 Ryd(5p)	0.000099269	2.824960495 Hartree
553	C24 Ryd(4d)	0.000483794	2.669459334 Hartree
554	C24 Ryd(3d)	0.000090749	2.392672801 Hartree
555	C24 Ryd(4d)	0.001158459	2.885460582 Hartree
556	C24 Ryd(3d)	0.000061925	2.528499604 Hartree
557	C24 Ryd(3d)	0.001780111	3.364779456 Hartree
558	C24 Ryd(4d)	0.000058288	3.451289372 Hartree
559	C24 Ryd(4d)	0.000271432	2.860879515 Hartree
560	C24 Ryd(3d)	0.000110897	2.823180049 Hartree
561	C24 Ryd(4d)	0.001137033	3.400343445 Hartree
562	C24 Ryd(3d)	0.000054609	3.027798599 Hartree
563	C25 Cor(1S)	1.999279956	-10.035138251 Hartree
564	C25 Val(2S)	1.114371657	-0.270860797 Hartree
565	C25 Ryd(3S)	0.000505504	0.766827485 Hartree
566	C25 Ryd(4S)	0.000262078	1.061046772 Hartree
567	C25 Ryd(5S)	0.000002138	23.274039234 Hartree
568	C25 Val(2p)	1.204757676	-0.112007376 Hartree
569	C25 Ryd(4p)	0.000139570	0.579362959 Hartree
570	C25 Ryd(3p)	0.000023377	0.270627994 Hartree
571	C25 Ryd(5p)	0.000029096	2.983111167 Hartree
572	C25 Val(2p)	1.162039930	-0.112624619 Hartree
573	C25 Ryd(4p)	0.001711843	0.749957112 Hartree
574	C25 Ryd(3p)	0.000307649	0.291254845 Hartree
575	C25 Ryd(5p)	0.000071410	2.965048864 Hartree
576	C25 Val(2p)	1.173978668	-0.108905092 Hartree
577	C25 Ryd(4p)	0.001986272	0.666661203 Hartree
578	C25 Ryd(3p)	0.000126336	0.365784444 Hartree
579	C25 Ryd(5p)	0.000027864	2.973198655 Hartree
580	C25 Ryd(3d)	0.000446644	1.292475032 Hartree
581	C25 Ryd(4d)	0.000099201	2.781373138 Hartree
582	C25 Ryd(3d)	0.001498007	1.632507124 Hartree
583	C25 Ryd(4d)	0.000061898	3.125497818 Hartree
584	C25 Ryd(3d)	0.001608730	1.826239698 Hartree
585	C25 Ryd(4d)	0.000103199	3.223420727 Hartree
586	C25 Ryd(3d)	0.001643375	1.700052822 Hartree
587	C25 Ryd(4d)	0.000056839	3.204319576 Hartree
588	C25 Ryd(3d)	0.000415757	1.529381123 Hartree
589	C25 Ryd(4d)	0.000111186	3.042567491 Hartree
590	H26 Val(1S)	0.770394896	0.040310510 Hartree
591	H26 Ryd(2S)	0.001426278	0.946237077 Hartree
592	H26 Ryd(3S)	0.000095282	1.833258448 Hartree
593	H26 Ryd(2p)	0.000114306	1.896517672 Hartree
594	H26 Ryd(2p)	0.000211497	2.681094643 Hartree
595	H26 Ryd(2p)	0.000152645	2.191967883 Hartree
596	H27 Val(1S)	0.780418207	0.015748037 Hartree
597	H27 Ryd(2S)	0.000875882	0.653599627 Hartree
598	H27 Ryd(3S)	0.000088206	2.165733113 Hartree
599	H27 Ryd(2p)	0.000184292	2.502460610 Hartree
600	H27 Ryd(2p)	0.000129036	1.979346532 Hartree
601	H27 Ryd(2p)	0.000149290	2.258923824 Hartree
602	H28 Val(1S)	0.780418207	0.015748037 Hartree
603	H28 Ryd(2S)	0.000875882	0.653599627 Hartree
604	H28 Ryd(3S)	0.000088206	2.165733113 Hartree
605	H28 Ryd(2p)	0.000184292	2.502460610 Hartree
606	H28 Ryd(2p)	0.000129036	1.979346532 Hartree
607	H28 Ryd(2p)	0.000149290	2.258923824 Hartree
608	O29 Cor(1S)	1.999757667	-18.841985269 Hartree
609	O29 Val(2S)	1.693716211	-0.884866818 Hartree
610	O29 Ryd(4S)	0.000679161	1.783226248 Hartree
611	O29 Ryd(3S)	0.000116431	1.223302615 Hartree
612	O29 Ryd(5S)	0.000000180	49.528903607 Hartree
613	O29 Val(2p)	1.379361448	-0.246167419 Hartree
614	O29 Ryd(3p)	0.000956554	0.563260001 Hartree
615	O29 Ryd(4p)	0.000041410	0.995558006 Hartree
616	O29 Ryd(5p)	0.000013183	4.934674985 Hartree
617	O29 Val(2p)	1.876568957	-0.261893599 Hartree
618	O29 Ryd(3p)	0.004919681	0.852370861 Hartree
619	O29 Ryd(4p)	0.000055388	1.139144274 Hartree
620	O29 Ryd(5p)	0.000006677	5.106389169 Hartree
621	O29 Val(2p)	1.598417828	-0.300867587 Hartree
622	O29 Ryd(3p)	0.000943454	0.637038062 Hartree
623	O29 Ryd(4p)	0.000087887	1.394351994 Hartree
624	O29 Ryd(5p)	0.000063857	5.402190666 Hartree
625	O29 Ryd(3d)	0.000275433	1.512974177 Hartree
626	O29 Ryd(4d)	0.000004087	6.747016104 Hartree
627	O29 Ryd(3d)	0.005187131	1.622653676 Hartree
628	O29 Ryd(4d)	0.000023883	6.878081352 Hartree
629	O29 Ryd(3d)	0.005409111	1.898338684 Hartree
630	O29 Ryd(4d)	0.000074446	7.023559824 Hartree
631	O29 Ryd(3d)	0.000319053	1.586947235 Hartree
632	O29 Ryd(4d)	0.000005852	6.808987675 Hartree
633	O29 Ryd(3d)	0.007715920	2.151072063 Hartree
634	O29 Ryd(4d)	0.000039538	7.075819397 Hartree
635	H30 Val(1S)	0.767944734	0.059952615 Hartree
636	H30 Ryd(2S)	0.001100380	1.505489544 Hartree
637	H30 Ryd(3S)	0.000142117	1.650636490 Hartree
638	H30 Ryd(2p)	0.000182034	1.929928190 Hartree
639	H30 Ryd(2p)	0.000104349	2.637474223 Hartree
640	H30 Ryd(2p)	0.000371862	2.909082141 Hartree
641	H31 Val(1S)	0.785683410	0.029829363 Hartree
642	H31 Ryd(2S)	0.000768422	1.191750757 Hartree
643	H31 Ryd(3S)	0.000155231	1.807736847 Hartree
644	H31 Ryd(2p)	0.000247289	1.946740663 Hartree
645	H31 Ryd(2p)	0.000209440	2.782302976 Hartree
646	H31 Ryd(2p)	0.000244704	2.769658689 Hartree
647	H32 Val(1S)	0.824250120	-0.014232407 Hartree
648	H32 Ryd(2S)	0.001811230	0.707158664 Hartree
649	H32 Ryd(3S)	0.000240710	2.262322605 Hartree
650	H32 Ryd(2p)	0.000229852	2.562351540 Hartree
651	H32 Ryd(2p)	0.000156075	2.296624484 Hartree
652	H32 Ryd(2p)	0.000196055	2.465453715 Hartree
653	H33 Val(1S)	0.824250120	-0.014232407 Hartree
654	H33 Ryd(2S)	0.001811230	0.707158664 Hartree
655	H33 Ryd(3S)	0.000240710	2.262322605 Hartree
656	H33 Ryd(2p)	0.000229852	2.562351540 Hartree
657	H33 Ryd(2p)	0.000156075	2.296624484 Hartree
658	H33 Ryd(2p)	0.000196055	2.465453715 Hartree
659	H34 Val(1S)	0.783041229	0.019115479 Hartree
660	H34 Ryd(2S)	0.001405082	1.277494968 Hartree
661	H34 Ryd(3S)	0.000305906	1.660118690 Hartree
662	H34 Ryd(2p)	0.000225356	2.549638184 Hartree
663	H34 Ryd(2p)	0.000147446	2.267040457 Hartree
664	H34 Ryd(2p)	0.000187196	2.444184179 Hartree
665	H35 Val(1S)	0.783041229	0.019115479 Hartree
666	H35 Ryd(2S)	0.001405082	1.277494968 Hartree
667	H35 Ryd(3S)	0.000305906	1.660118690 Hartree
668	H35 Ryd(2p)	0.000225356	2.549638184 Hartree
669	H35 Ryd(2p)	0.000147446	2.267040457 Hartree
670	H35 Ryd(2p)	0.000187196	2.444184179 Hartree
671	H36 Val(1S)	0.824250120	-0.014232407 Hartree
672	H36 Ryd(2S)	0.001811230	0.707158664 Hartree
673	H36 Ryd(3S)	0.000240710	2.262322605 Hartree
674	H36 Ryd(2p)	0.000229852	2.562351540 Hartree
675	H36 Ryd(2p)	0.000156075	2.296624484 Hartree
676	H36 Ryd(2p)	0.000196055	2.465453715 Hartree
677	H37 Val(1S)	0.824250120	-0.014232407 Hartree
678	H37 Ryd(2S)	0.001811230	0.707158664 Hartree
679	H37 Ryd(3S)	0.000240710	2.262322605 Hartree
680	H37 Ryd(2p)	0.000229852	2.562351540 Hartree
681	H37 Ryd(2p)	0.000156075	2.296624484 Hartree
682	H37 Ryd(2p)	0.000196055	2.465453715 Hartree
683	H38 Val(1S)	0.778092672	0.036757915 Hartree
684	H38 Ryd(2S)	0.000857621	1.434916425 Hartree
685	H38 Ryd(3S)	0.000119037	1.635911448 Hartree
686	H38 Ryd(2p)	0.000215235	1.947760181 Hartree
687	H38 Ryd(2p)	0.000066265	2.645497786 Hartree
688	H38 Ryd(2p)	0.000404119	2.885267298 Hartree
689	H39 Val(1S)	0.789216292	0.034991882 Hartree
690	H39 Ryd(2S)	0.000552104	1.240823286 Hartree
691	H39 Ryd(3S)	0.000161844	1.806329943 Hartree
692	H39 Ryd(2p)	0.000206811	1.914497567 Hartree
693	H39 Ryd(2p)	0.000213395	2.777096794 Hartree
694	H39 Ryd(2p)	0.000257924	2.766534052 Hartree
695	O40 Cor(1S)	1.999757667	-18.841985269 Hartree
696	O40 Val(2S)	1.693716211	-0.884866818 Hartree
697	O40 Ryd(4S)	0.000679161	1.783226248 Hartree
698	O40 Ryd(3S)	0.000116431	1.223302614 Hartree
699	O40 Ryd(5S)	0.000000180	49.528903607 Hartree
700	O40 Val(2p)	1.379361448	-0.246167419 Hartree
701	O40 Ryd(3p)	0.000956554	0.563260001 Hartree
702	O40 Ryd(4p)	0.000041410	0.995558007 Hartree
703	O40 Ryd(5p)	0.000013183	4.934674983 Hartree
704	O40 Val(2p)	1.876568957	-0.261893599 Hartree
705	O40 Ryd(3p)	0.004919681	0.852370861 Hartree
706	O40 Ryd(4p)	0.000055388	1.139144276 Hartree
707	O40 Ryd(5p)	0.000006677	5.106389168 Hartree
708	O40 Val(2p)	1.598417828	-0.300867587 Hartree
709	O40 Ryd(3p)	0.000943454	0.637038062 Hartree
710	O40 Ryd(4p)	0.000087887	1.394351997 Hartree
711	O40 Ryd(5p)	0.000063857	5.402190663 Hartree
712	O40 Ryd(3d)	0.000275433	1.512974177 Hartree
713	O40 Ryd(4d)	0.000004087	6.747016104 Hartree
714	O40 Ryd(3d)	0.005187131	1.622653676 Hartree
715	O40 Ryd(4d)	0.000023883	6.878081352 Hartree
716	O40 Ryd(3d)	0.005409111	1.898338684 Hartree
717	O40 Ryd(4d)	0.000074446	7.023559824 Hartree
718	O40 Ryd(3d)	0.000319053	1.586947235 Hartree
719	O40 Ryd(4d)	0.000005852	6.808987675 Hartree
720	O40 Ryd(3d)	0.007715920	2.151072063 Hartree
721	O40 Ryd(4d)	0.000039538	7.075819397 Hartree
722	H41 Val(1S)	0.770394896	0.040310510 Hartree
723	H41 Ryd(2S)	0.001426278	0.946237077 Hartree
724	H41 Ryd(3S)	0.000095282	1.833258447 Hartree
725	H41 Ryd(2p)	0.000114306	1.896517672 Hartree
726	H41 Ryd(2p)	0.000211497	2.681094643 Hartree
727	H41 Ryd(2p)	0.000152645	2.191967883 Hartree
728	H42 Val(1S)	0.780418207	0.015748037 Hartree
729	H42 Ryd(2S)	0.000875882	0.653599627 Hartree
730	H42 Ryd(3S)	0.000088206	2.165733113 Hartree
731	H42 Ryd(2p)	0.000184292	2.502460610 Hartree
732	H42 Ryd(2p)	0.000129036	1.979346532 Hartree
733	H42 Ryd(2p)	0.000149290	2.258923824 Hartree
734	H43 Val(1S)	0.780418207	0.015748037 Hartree
735	H43 Ryd(2S)	0.000875882	0.653599627 Hartree
736	H43 Ryd(3S)	0.000088206	2.165733113 Hartree
737	H43 Ryd(2p)	0.000184292	2.502460610 Hartree
738	H43 Ryd(2p)	0.000129036	1.979346532 Hartree
739	H43 Ryd(2p)	0.000149290	2.258923824 Hartree
740			********** Hartree
741			********** Hartree

Natural Hybrid Orbitals

Display Range		- / 741
Orbital	Description	Occupancy	Energy	Actions
1	BD(1)C1(C2) 1s(28.30%)p2.53(71.56%)d0.00(0.14%)	1.042069330	-0.132877990 Hartree
2	BD(1)C2(C1) 2s(34.01%)p1.94(65.96%)d0.00(0.03%)	1.001153078	-0.130506855 Hartree
3	BD(1)C1(H41) 1s(24.56%)p3.07(75.37%)d0.00(0.07%)	1.224314642	-0.153525481 Hartree
4	BD(1)H41(C1) 41s(99.98%)p0.00(0.02%)	0.769416150	0.048419476 Hartree
5	BD(1)C1(H42) 1s(23.55%)p3.24(76.35%)d0.00(0.10%)	1.196905901	-0.154362299 Hartree
6	BD(1)H42(C1) 42s(99.98%)p0.00(0.02%)	0.780755161	0.017635328 Hartree
7	BD(1)C1(H43) 1s(23.55%)p3.24(76.35%)d0.00(0.10%)	1.195326918	-0.154959410 Hartree
8	BD(1)H43(C1) 43s(99.98%)p0.00(0.02%)	0.775399780	0.000637697 Hartree
9	BD(1)C2(C3) 2s(35.28%)p1.83(64.68%)d0.00(0.05%)	0.970148636	-0.023226658 Hartree
10	BD(1)C3(C2) 3s(31.13%)p2.21(68.81%)d0.00(0.06%)	1.066178511	-0.125269654 Hartree
11	BD(1)C2(O40) 2s(30.62%)p2.26(69.27%)d0.00(0.11%)	0.695253212	0.028162244 Hartree
12	BD(1)O40(C2) 40s(42.62%)p1.34(56.92%)d0.01(0.46%)	1.311044997	-0.494288630 Hartree
13	BD(2)C2(O40) 2s(0.00%)p1.00(99.86%)d0.00(0.14%)	0.737452477	-0.112376941 Hartree
14	BD(2)O40(C2) 40s(0.00%)p1.00(99.62%)d0.00(0.38%)	1.384919679	-0.247776610 Hartree
15	BD(1)C3(C4) 3s(34.55%)p1.89(65.36%)d0.00(0.09%)	1.013506620	-0.082258757 Hartree
16	BD(1)C4(C3) 4s(35.71%)p1.80(64.19%)d0.00(0.10%)	0.984112826	-0.066043747 Hartree
17	BD(1)C3(C8) 3s(34.21%)p1.92(65.71%)d0.00(0.08%)	1.019752493	-0.067988127 Hartree
18	BD(1)C8(C3) 8s(35.39%)p1.82(64.43%)d0.01(0.18%)	0.972829027	-0.062150813 Hartree
19	BD(2)C3(C8) 3s(0.00%)p1.00(99.99%)d0.00(0.01%)	1.071957768	-0.116785289 Hartree
20	BD(2)C8(C3) 8s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.925362279	-0.105968369 Hartree
21	BD(1)C4(C5) 4s(35.95%)p1.78(63.94%)d0.00(0.11%)	0.990283277	-0.046081841 Hartree
22	BD(1)C5(C4) 5s(36.75%)p1.72(63.15%)d0.00(0.10%)	0.997717726	-0.072309123 Hartree
23	BD(2)C4(C5) 4s(0.00%)p1.00(99.97%)d0.00(0.03%)	0.966754195	-0.124665394 Hartree
24	BD(2)C5(C4) 5s(0.00%)p1.00(99.96%)d0.00(0.04%)	1.041174107	-0.122743200 Hartree
25	BD(1)C4(H39) 4s(28.19%)p2.55(71.76%)d0.00(0.04%)	1.199744391	-0.135691982 Hartree
26	BD(1)H39(C4) 39s(99.96%)p0.00(0.04%)	0.789602236	0.037621230 Hartree
27	BD(1)C5(C6) 5s(34.25%)p1.92(65.61%)d0.00(0.14%)	0.983157553	-0.079068215 Hartree
28	BD(1)C6(C5) 6s(36.85%)p1.71(63.09%)d0.00(0.06%)	1.012014982	-0.093245529 Hartree
29	BD(1)C5(H38) 5s(28.88%)p2.46(71.08%)d0.00(0.04%)	1.211350231	-0.149499777 Hartree
30	BD(1)H38(C5) 38s(99.95%)p0.00(0.05%)	0.778465334	0.039314442 Hartree
31	BD(1)C6(C7) 6s(38.32%)p1.61(61.62%)d0.00(0.05%)	1.011137834	-0.098636006 Hartree
32	BD(1)C7(C6) 7s(34.17%)p1.92(65.69%)d0.00(0.14%)	0.996429731	-0.087386007 Hartree
33	BD(2)C6(C7) 6s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.952734799	-0.135254404 Hartree
34	BD(2)C7(C6) 7s(0.00%)p1.00(99.96%)d0.00(0.04%)	1.073643204	-0.132888838 Hartree
35	BD(1)C6(O11) 6s(24.57%)p3.06(75.31%)d0.00(0.12%)	0.657774729	-0.061735768 Hartree
36	BD(1)O11(C6) 11s(33.89%)p1.94(65.91%)d0.01(0.20%)	1.362493525	-0.511399075 Hartree
37	BD(1)C7(C8) 7s(36.84%)p1.71(63.07%)d0.00(0.09%)	1.011747954	-0.079854695 Hartree
38	BD(1)C8(C7) 8s(35.48%)p1.81(64.28%)d0.01(0.24%)	0.976083841	-0.068080218 Hartree
39	BD(1)C7(H10) 7s(28.91%)p2.46(71.04%)d0.00(0.05%)	1.206185369	-0.149519461 Hartree
40	BD(1)H10(C7) 10s(99.96%)p0.00(0.04%)	0.785989630	0.036612789 Hartree
41	BD(1)C8(H9) 8s(28.69%)p2.48(71.26%)d0.00(0.05%)	1.224332486	-0.140117443 Hartree
42	BD(1)H9(C8) 9s(99.96%)p0.00(0.04%)	0.768286988	0.062596233 Hartree
43	BD(1)O11(C12) 11s(28.84%)p2.46(70.99%)d0.01(0.17%)	1.372037592	-0.487553900 Hartree
44	BD(1)C12(O11) 12s(20.56%)p3.86(79.27%)d0.01(0.17%)	0.638974569	-0.090580035 Hartree
45	BD(1)C12(C13) 12s(30.36%)p2.29(69.56%)d0.00(0.08%)	0.997373640	-0.140592709 Hartree
46	BD(1)C13(C12) 13s(27.48%)p2.64(72.43%)d0.00(0.09%)	0.994091133	-0.125998263 Hartree
47	BD(1)C12(H36) 12s(24.63%)p3.06(75.26%)d0.00(0.11%)	1.186811412	-0.165090326 Hartree
48	BD(1)H36(C12) 36s(99.97%)p0.00(0.03%)	0.824763567	0.039363686 Hartree
49	BD(1)C12(H37) 12s(24.63%)p3.06(75.26%)d0.00(0.11%)	1.187045043	-0.177434859 Hartree
50	BD(1)H37(C12) 37s(99.97%)p0.00(0.03%)	0.824557648	0.003390228 Hartree
51	BD(1)C13(C14) 13s(27.48%)p2.64(72.43%)d0.00(0.09%)	0.994228407	-0.130322064 Hartree
52	BD(1)C14(C13) 14s(30.36%)p2.29(69.56%)d0.00(0.08%)	0.997973343	-0.106992358 Hartree
53	BD(1)C13(H34) 13s(22.57%)p3.43(77.35%)d0.00(0.08%)	1.209338268	-0.147980540 Hartree
54	BD(1)H34(C13) 34s(99.97%)p0.00(0.03%)	0.782848406	0.062115900 Hartree
55	BD(1)C13(H35) 13s(22.57%)p3.43(77.35%)d0.00(0.08%)	1.206839718	-0.159009081 Hartree
56	BD(1)H35(C13) 35s(99.97%)p0.00(0.03%)	0.783301917	0.021549427 Hartree
57	BD(1)C14(O15) 14s(20.56%)p3.86(79.27%)d0.01(0.17%)	0.638406453	-0.092878611 Hartree
58	BD(1)O15(C14) 15s(28.84%)p2.46(70.99%)d0.01(0.17%)	1.372019161	-0.490146234 Hartree
59	BD(1)C14(H32) 14s(24.63%)p3.06(75.26%)d0.00(0.11%)	1.186959234	-0.179245349 Hartree
60	BD(1)H32(C14) 32s(99.97%)p0.00(0.03%)	0.824504552	-0.011289382 Hartree
61	BD(1)C14(H33) 14s(24.63%)p3.06(75.26%)d0.00(0.11%)	1.186975449	-0.179241844 Hartree
62	BD(1)H33(C14) 33s(99.97%)p0.00(0.03%)	0.824489902	-0.010397375 Hartree
63	BD(1)O15(C16) 15s(33.89%)p1.94(65.91%)d0.01(0.20%)	1.362488573	-0.512264755 Hartree
64	BD(1)C16(O15) 16s(24.57%)p3.06(75.31%)d0.00(0.12%)	0.657774368	-0.062228893 Hartree
65	BD(1)C16(C17) 16s(38.32%)p1.61(61.62%)d0.00(0.05%)	1.010994295	-0.098975622 Hartree
66	BD(1)C17(C16) 17s(34.17%)p1.92(65.69%)d0.00(0.14%)	0.996564776	-0.085956973 Hartree
67	BD(2)C16(C17) 16s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.952733293	-0.133057649 Hartree
68	BD(2)C17(C16) 17s(0.00%)p1.00(99.96%)d0.00(0.04%)	1.073650651	-0.132924509 Hartree
69	BD(1)C16(C21) 16s(36.85%)p1.71(63.09%)d0.00(0.06%)	1.012035307	-0.093230178 Hartree
70	BD(1)C21(C16) 21s(34.25%)p1.92(65.61%)d0.00(0.14%)	0.983159889	-0.078682882 Hartree
71	BD(1)C17(C18) 17s(36.84%)p1.71(63.07%)d0.00(0.09%)	1.011517037	-0.078433597 Hartree
72	BD(1)C18(C17) 18s(35.48%)p1.81(64.28%)d0.01(0.24%)	0.976135861	-0.068139244 Hartree
73	BD(1)C17(H31) 17s(28.91%)p2.46(71.04%)d0.00(0.05%)	1.205382493	-0.151811417 Hartree
74	BD(1)H31(C17) 31s(99.96%)p0.00(0.04%)	0.786026852	0.032394342 Hartree
75	BD(1)C18(C19) 18s(35.39%)p1.82(64.43%)d0.01(0.18%)	0.972963343	-0.062499255 Hartree
76	BD(1)C19(C18) 19s(34.21%)p1.92(65.71%)d0.00(0.08%)	1.021777412	-0.086366429 Hartree
77	BD(2)C18(C19) 18s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.925374249	-0.114819257 Hartree
78	BD(2)C19(C18) 19s(0.00%)p1.00(99.99%)d0.00(0.01%)	1.071978538	-0.118067837 Hartree
79	BD(1)C18(H30) 18s(28.69%)p2.48(71.26%)d0.00(0.05%)	1.224330853	-0.140037226 Hartree
80	BD(1)H30(C18) 30s(99.96%)p0.00(0.04%)	0.768274859	0.062526274 Hartree
81	BD(1)C19(C20) 19s(34.55%)p1.89(65.36%)d0.00(0.09%)	1.013536149	-0.082264488 Hartree
82	BD(1)C20(C19) 20s(35.71%)p1.80(64.19%)d0.00(0.10%)	0.984080870	-0.067419542 Hartree
83	BD(1)C19(C24) 19s(31.13%)p2.21(68.81%)d0.00(0.06%)	1.066171398	-0.125271566 Hartree
84	BD(1)C24(C19) 24s(35.28%)p1.83(64.68%)d0.00(0.05%)	0.978812981	-0.094646680 Hartree
85	BD(1)C20(C21) 20s(35.95%)p1.78(63.94%)d0.00(0.11%)	0.991369944	-0.072895254 Hartree
86	BD(1)C21(C20) 21s(36.75%)p1.72(63.15%)d0.00(0.10%)	0.997705756	-0.072316195 Hartree
87	BD(2)C20(C21) 20s(0.00%)p1.00(99.97%)d0.00(0.03%)	0.966755897	-0.125031189 Hartree
88	BD(2)C21(C20) 21s(0.00%)p1.00(99.96%)d0.00(0.04%)	1.041127338	-0.125927808 Hartree
89	BD(1)C20(H23) 20s(28.19%)p2.55(71.76%)d0.00(0.04%)	1.201107207	-0.142011491 Hartree
90	BD(1)H23(C20) 23s(99.96%)p0.00(0.04%)	0.789570043	0.037345837 Hartree
91	BD(1)C21(H22) 21s(28.88%)p2.46(71.08%)d0.00(0.04%)	1.211353088	-0.149494120 Hartree
92	BD(1)H22(C21) 22s(99.95%)p0.00(0.05%)	0.778460074	0.039399910 Hartree
93	BD(1)C24(C25) 24s(34.01%)p1.94(65.96%)d0.00(0.03%)	1.001589825	-0.127262156 Hartree
94	BD(1)C25(C24) 25s(28.30%)p2.53(71.56%)d0.00(0.14%)	1.041705754	-0.130291794 Hartree
95	BD(1)C24(O29) 24s(30.62%)p2.26(69.27%)d0.00(0.11%)	0.695141941	0.028303803 Hartree
96	BD(1)O29(C24) 29s(42.62%)p1.34(56.92%)d0.01(0.46%)	1.310932499	-0.494695836 Hartree
97	BD(2)C24(O29) 24s(0.00%)p1.00(99.86%)d0.00(0.14%)	0.736892455	-0.112292740 Hartree
98	BD(2)O29(C24) 29s(0.00%)p1.00(99.62%)d0.00(0.38%)	1.384896758	-0.247610138 Hartree
99	BD(1)C25(H26) 25s(24.56%)p3.07(75.37%)d0.00(0.07%)	1.222466650	-0.149762207 Hartree
100	BD(1)H26(C25) 26s(99.98%)p0.00(0.02%)	0.770586109	0.042068285 Hartree
101	BD(1)C25(H27) 25s(23.55%)p3.24(76.35%)d0.00(0.10%)	1.198601558	-0.154472143 Hartree
102	BD(1)H27(C25) 27s(99.98%)p0.00(0.02%)	0.780595691	0.017171566 Hartree
103	BD(1)C25(H28) 25s(23.55%)p3.24(76.35%)d0.00(0.10%)	1.198604072	-0.154450826 Hartree
104	BD(1)H28(C25) 28s(99.98%)p0.00(0.02%)	0.780595927	0.017227192 Hartree
105	CR(1)C1 s(100.00%)p0.00(0.00%)	1.999257223	-10.035818091 Hartree
106	CR(1)C2 s(100.00%)p0.00(0.00%)	1.999255384	-10.135767325 Hartree
107	CR(1)C3 s(100.00%)	1.998928544	-10.041149840 Hartree
108	CR(1)C4 s(100.00%)p0.00(0.00%)	1.999076752	-10.046431675 Hartree
109	CR(1)C5 s(100.00%)p0.00(0.00%)	1.999051951	-10.039709442 Hartree
110	CR(1)C6 s(100.00%)p0.00(0.00%)	1.998800342	-10.123104117 Hartree
111	CR(1)C7 s(100.00%)p0.00(0.00%)	1.999069854	-10.043509789 Hartree
112	CR(1)C8 s(100.00%)p0.00(0.00%)	1.998890064	-10.042356300 Hartree
113	CR(1)O11 s(100.00%)	1.999695181	-18.971253442 Hartree
114	CR(1)C12 s(100.00%)	1.999141206	-10.126518972 Hartree
115	CR(1)C13 s(100.00%)p0.00(0.00%)	1.999243186	-10.056084776 Hartree
116	CR(1)C14 s(100.00%)	1.999233752	-10.125884722 Hartree
117	CR(1)O15 s(100.00%)	1.999694986	-18.971394673 Hartree
118	CR(1)C16 s(100.00%)p0.00(0.00%)	1.998801327	-10.123102297 Hartree
119	CR(1)C17 s(100.00%)p0.00(0.00%)	1.999061396	-10.043548470 Hartree
120	CR(1)C18 s(100.00%)p0.00(0.00%)	1.998900830	-10.042910591 Hartree
121	CR(1)C19 s(100.00%)	1.998910660	-10.040330155 Hartree
122	CR(1)C20 s(100.00%)p0.00(0.00%)	1.999095812	-10.046490601 Hartree
123	CR(1)C21 s(100.00%)p0.00(0.00%)	1.999052664	-10.039701785 Hartree
124	CR(1)C24 s(100.00%)p0.00(0.00%)	1.999280826	-10.135659130 Hartree
125	CR(1)C25 s(100.00%)p0.00(0.00%)	1.999278372	-10.035133312 Hartree
126	CR(1)O29 s(100.00%)p0.00(0.00%)	1.999755940	-18.843304466 Hartree
127	CR(1)O40 s(100.00%)p0.00(0.00%)	1.999757127	-18.843303519 Hartree
128	LP(1)O11 s(37.29%)p1.68(62.60%)d0.00(0.11%)	1.965364374	-0.566055451 Hartree
129	LP(2)O11 s(0.00%)p1.00(99.88%)d0.00(0.12%)	1.835754713	-0.336668754 Hartree
130	LP(1)O15 s(37.29%)p1.68(62.60%)d0.00(0.11%)	1.965364333	-0.566054646 Hartree
131	LP(2)O15 s(0.00%)p1.00(99.88%)d0.00(0.12%)	1.835754696	-0.336665319 Hartree
132	LP(1)O29 s(57.30%)p0.74(42.60%)d0.00(0.10%)	1.978902765	-0.686577353 Hartree
133	LP(2)O29 s(0.04%)p99.99(99.68%)d6.80(0.28%)	1.893505577	-0.264387165 Hartree
134	LP(1)O40 s(57.30%)p0.74(42.60%)d0.00(0.10%)	1.978929952	-0.686583270 Hartree
135	LP(2)O40 s(0.04%)p99.99(99.68%)d6.80(0.28%)	1.893450734	-0.264408822 Hartree
136	RY*(1)C1 s(7.74%)p11.43(88.46%)d0.49(3.79%)	0.002315302	0.848165354 Hartree
137	RY*(2)C1 s(19.96%)p2.61(52.06%)d1.40(27.98%)	0.001091070	0.881629949 Hartree
138	RY*(3)C1 s(23.91%)p1.16(27.71%)d2.02(48.37%)	0.000569621	0.982667607 Hartree
139	RY*(4)C1 s(0.00%)p1.00(38.85%)d1.57(61.15%)	0.000383462	0.905643612 Hartree
140	RY*(5)C1 s(0.00%)p1.00(17.38%)d4.75(82.62%)	0.000739171	1.528270563 Hartree
141	RY*(6)C1 s(9.78%)p4.97(48.63%)d4.25(41.59%)	0.000220816	1.099195147 Hartree
142	RY*(7)C1 s(18.26%)p2.46(45.01%)d2.01(36.73%)	-0.000196608	1.763639681 Hartree
143	RY*(8)C1 s(18.49%)p3.65(67.54%)d0.76(13.97%)	-0.003441534	2.290472188 Hartree
144	RY*(9)C1 s(46.52%)p0.07(3.16%)d1.08(50.32%)	-0.001688945	0.999497139 Hartree
145	RY*(10)C1 s(0.00%)p1.00(44.56%)d1.24(55.44%)	0.000137328	0.742346282 Hartree
146	RY*(11)C1 s(0.00%)p1.00(75.86%)d0.32(24.14%)	0.000833996	0.497468073 Hartree
147	RY*(12)C1 s(4.41%)p18.95(83.54%)d2.73(12.05%)	0.002909566	2.233435523 Hartree
148	RY*(13)C1 s(0.00%)p1.00(95.45%)d0.05(4.55%)	0.008147544	3.165240709 Hartree
149	RY*(14)C1 s(0.00%)p1.00(7.79%)d11.83(92.21%)	0.000139897	3.057611187 Hartree
150	RY*(15)C1 s(98.74%)p0.01(1.13%)d0.00(0.13%)	0.000183320	22.862915943 Hartree
151	RY*(16)C1 s(0.00%)p1.00(20.25%)d3.94(79.75%)	0.004907383	3.042587055 Hartree
152	RY*(17)C1 s(1.59%)p35.30(56.23%)d26.48(42.18%)	-0.003287697	0.775960322 Hartree
153	RY*(18)C1 s(0.74%)p1.39(1.03%)d99.99(98.22%)	0.000017290	3.570566168 Hartree
154	RY*(19)C1 s(16.07%)p3.69(59.35%)d1.53(24.58%)	0.000222694	1.717732885 Hartree
155	RY*(20)C1 s(0.45%)p2.12(0.94%)d99.99(98.61%)	0.001144647	3.581776409 Hartree
156	RY*(21)C1 s(33.36%)p1.88(62.73%)d0.12(3.91%)	0.000572138	0.782920783 Hartree
157	RY*(22)C1 s(0.01%)p99.99(2.69%)d99.99(97.29%)	0.000056684	3.311939479 Hartree
158	RY*(1)C2 s(12.43%)p7.03(87.43%)d0.01(0.14%)	0.016036991	1.010203658 Hartree
159	RY*(2)C2 s(2.48%)p29.89(74.15%)d9.42(23.37%)	0.004774450	1.777972166 Hartree
160	RY*(3)C2 s(12.47%)p3.14(39.13%)d3.88(48.40%)	0.002174000	2.134630501 Hartree
161	RY*(4)C2 s(0.00%)p1.00(34.92%)d1.86(65.08%)	0.001594355	1.793148943 Hartree
162	RY*(5)C2 s(0.00%)p1.00(29.52%)d2.39(70.48%)	0.000856349	1.607060969 Hartree
163	RY*(6)C2 s(24.92%)p1.52(37.97%)d1.49(37.11%)	0.000700407	1.733539074 Hartree
164	RY*(7)C2 s(21.96%)p1.92(42.13%)d1.64(35.91%)	0.000451793	2.407947302 Hartree
165	RY*(8)C2 s(36.96%)p1.36(50.43%)d0.34(12.61%)	-0.003039067	1.530729208 Hartree
166	RY*(9)C2 s(15.69%)p2.34(36.64%)d3.04(47.67%)	0.006400256	4.835814974 Hartree
167	RY*(10)C2 s(2.14%)p24.16(51.75%)d21.53(46.11%)	0.002107373	2.397486908 Hartree
168	RY*(11)C2 s(0.00%)p1.00(38.21%)d1.62(61.79%)	0.002021440	1.627448241 Hartree
169	RY*(12)C2 s(65.42%)p0.27(17.47%)d0.26(17.11%)	-0.003989052	5.504320670 Hartree
170	RY*(13)C2 s(0.00%)p1.00(96.66%)d0.03(3.34%)	0.000015855	0.439044730 Hartree
171	RY*(14)C2 s(0.00%)p1.00(0.83%)d99.99(99.17%)	0.000538006	3.063707461 Hartree
172	RY*(15)C2 s(32.50%)p1.18(38.39%)d0.90(29.11%)	-0.000368573	3.811897188 Hartree
173	RY*(16)C2 s(0.00%)p1.00(0.34%)d99.99(99.66%)	0.002832036	2.962463583 Hartree
174	RY*(17)C2 s(0.00%)p1.00(99.67%)d0.00(0.33%)	0.000060595	2.725580712 Hartree
175	RY*(18)C2 s(1.49%)p8.78(13.05%)d57.50(85.46%)	0.000494397	3.123271400 Hartree
176	RY*(19)C2 s(60.54%)p0.01(0.86%)d0.64(38.61%)	-0.000127838	12.702953790 Hartree
177	RY*(20)C2 s(3.97%)p4.27(16.94%)d19.92(79.09%)	0.002337944	3.599181639 Hartree
178	RY*(21)C2 s(6.49%)p14.21(92.15%)d0.21(1.36%)	-0.015724180	2.488109411 Hartree
179	RY*(22)C2 s(0.64%)p2.49(1.60%)d99.99(97.75%)	0.004866006	2.950376900 Hartree
180	RY*(1)C3 s(3.28%)p27.51(90.31%)d1.95(6.41%)	0.007202051	1.379761122 Hartree
181	RY*(2)C3 s(2.76%)p32.75(90.53%)d2.43(6.71%)	0.004901584	1.247374415 Hartree
182	RY*(3)C3 s(66.60%)p0.18(11.86%)d0.32(21.54%)	0.001207601	1.319379126 Hartree
183	RY*(4)C3 s(0.00%)p1.00(78.92%)d0.27(21.08%)	0.001123187	0.675402700 Hartree
184	RY*(5)C3 s(16.85%)p0.37(6.22%)d4.57(76.93%)	0.000416011	2.132550760 Hartree
185	RY*(6)C3 s(3.58%)p7.40(26.46%)d19.56(69.96%)	-0.000935016	2.801906659 Hartree
186	RY*(7)C3 s(0.00%)p1.00(0.98%)d99.99(99.02%)	0.000407424	2.835346114 Hartree
187	RY*(8)C3 s(8.37%)p1.84(15.44%)d9.10(76.20%)	0.000780887	2.269054008 Hartree
188	RY*(9)C3 s(0.00%)p1.00(8.30%)d11.04(91.70%)	0.000290102	1.877888813 Hartree
189	RY*(10)C3 s(4.65%)p9.79(45.48%)d10.74(49.88%)	-0.002071643	2.221291996 Hartree
190	RY*(11)C3 s(7.05%)p9.92(69.99%)d3.25(22.96%)	0.000156660	2.163634152 Hartree
191	RY*(12)C3 s(0.00%)p1.00(20.97%)d3.77(79.03%)	0.000082795	1.475713647 Hartree
192	RY*(13)C3 s(7.03%)p7.65(53.81%)d5.57(39.16%)	-0.000561886	3.265956195 Hartree
193	RY*(14)C3 s(6.30%)p4.33(27.29%)d10.54(66.40%)	-0.005301315	2.783325654 Hartree
194	RY*(15)C3 s(16.53%)p2.70(44.65%)d2.35(38.82%)	-0.000483225	3.369535316 Hartree
195	RY*(16)C3 s(6.89%)p11.59(79.86%)d1.92(13.25%)	0.000135295	2.581391224 Hartree
196	RY*(17)C3 s(0.00%)p1.00(86.63%)d0.15(13.37%)	0.000116877	0.446627112 Hartree
197	RY*(18)C3 s(0.00%)p1.00(97.05%)d0.03(2.95%)	0.000003350	2.807371659 Hartree
198	RY*(19)C3 s(0.00%)p1.00(7.16%)d12.97(92.84%)	0.000000406	2.556930644 Hartree
199	RY*(20)C3 s(2.19%)p0.20(0.44%)d44.37(97.36%)	-0.000919604	3.536755758 Hartree
200	RY*(21)C3 s(86.14%)p0.10(8.61%)d0.06(5.25%)	0.003195944	18.834647762 Hartree
201	RY*(22)C3 s(61.88%)p0.47(29.18%)d0.14(8.94%)	0.021085204	1.944333334 Hartree
202	RY*(1)C4 s(0.15%)p99.99(90.00%)d65.98(9.85%)	0.005379049	1.322799438 Hartree
203	RY*(2)C4 s(1.88%)p51.74(97.33%)d0.42(0.79%)	0.002123982	1.485192632 Hartree
204	RY*(3)C4 s(0.00%)p1.00(77.91%)d0.28(22.09%)	0.000968490	0.548653012 Hartree
205	RY*(4)C4 s(21.85%)p0.71(15.60%)d2.86(62.54%)	0.005328443	2.120006204 Hartree
206	RY*(5)C4 s(0.00%)p1.00(0.86%)d99.99(99.14%)	0.000582719	2.184573161 Hartree
207	RY*(6)C4 s(26.79%)p1.28(34.24%)d1.45(38.97%)	0.005646549	2.243230052 Hartree
208	RY*(7)C4 s(25.26%)p0.99(25.02%)d1.97(49.72%)	0.001027999	1.680037234 Hartree
209	RY*(8)C4 s(16.06%)p0.69(11.14%)d4.53(72.80%)	-0.002364760	1.781730220 Hartree
210	RY*(9)C4 s(33.22%)p1.19(39.41%)d0.82(27.37%)	-0.002038976	3.106182117 Hartree
211	RY*(10)C4 s(0.00%)p1.00(37.09%)d1.70(62.91%)	0.000164952	1.116669609 Hartree
212	RY*(11)C4 s(15.32%)p1.95(29.82%)d3.58(54.85%)	0.001166689	2.125798101 Hartree
213	RY*(12)C4 s(4.59%)p10.12(46.42%)d10.68(48.99%)	0.000439737	3.294193559 Hartree
214	RY*(13)C4 s(27.79%)p1.17(32.48%)d1.43(39.73%)	-0.002432745	1.777600573 Hartree
215	RY*(14)C4 s(3.73%)p20.38(75.97%)d5.45(20.31%)	-0.001650954	2.974383738 Hartree
216	RY*(15)C4 s(0.00%)p1.00(54.60%)d0.83(45.40%)	0.000236003	0.756897177 Hartree
217	RY*(16)C4 s(27.45%)p1.83(50.15%)d0.82(22.40%)	0.000673984	2.945832918 Hartree
218	RY*(17)C4 s(0.67%)p75.11(50.18%)d73.56(49.15%)	-0.001563951	2.216484420 Hartree
219	RY*(18)C4 s(0.00%)p1.00(29.65%)d2.37(70.35%)	0.000149134	1.814792045 Hartree
220	RY*(19)C4 s(93.92%)p0.02(1.71%)d0.05(4.37%)	-0.005920764	18.302507307 Hartree
221	RY*(20)C4 s(1.46%)p0.43(0.62%)d66.98(97.91%)	0.005513483	3.487266065 Hartree
222	RY*(21)C4 s(0.00%)p1.00(95.73%)d0.04(4.27%)	0.000003899	2.790008136 Hartree
223	RY*(22)C4 s(0.00%)p1.00(4.19%)d22.88(95.81%)	0.000013589	3.226599224 Hartree
224	RY*(1)C5 s(0.12%)p99.99(88.76%)d92.77(11.12%)	0.005902580	1.317557565 Hartree
225	RY*(2)C5 s(1.26%)p76.83(96.88%)d1.48(1.86%)	0.002871054	1.144367411 Hartree
226	RY*(3)C5 s(55.16%)p0.12(6.81%)d0.69(38.03%)	0.001148598	1.990694964 Hartree
227	RY*(4)C5 s(0.00%)p1.00(85.32%)d0.17(14.68%)	0.000942988	0.467854283 Hartree
228	RY*(5)C5 s(0.00%)p1.00(13.13%)d6.62(86.87%)	0.000367241	2.590357857 Hartree
229	RY*(6)C5 s(4.05%)p9.94(40.31%)d13.73(55.64%)	0.000314840	2.329447267 Hartree
230	RY*(7)C5 s(0.00%)p1.00(10.91%)d8.17(89.09%)	0.000174240	0.981306613 Hartree
231	RY*(8)C5 s(25.68%)p0.71(18.16%)d2.19(56.17%)	-0.000693101	2.205158363 Hartree
232	RY*(9)C5 s(8.59%)p1.31(11.26%)d9.33(80.15%)	0.000120684	1.943210136 Hartree
233	RY*(10)C5 s(23.20%)p1.44(33.48%)d1.87(43.31%)	0.000156629	2.278934731 Hartree
234	RY*(11)C5 s(17.86%)p3.00(53.50%)d1.60(28.64%)	0.000049463	3.373886499 Hartree
235	RY*(12)C5 s(3.77%)p15.69(59.19%)d9.82(37.03%)	0.000041427	1.806953292 Hartree
236	RY*(13)C5 s(0.00%)p1.00(10.62%)d8.42(89.38%)	0.000014978	1.729555726 Hartree
237	RY*(14)C5 s(26.09%)p0.97(25.40%)d1.86(48.51%)	0.000021624	2.610569065 Hartree
238	RY*(15)C5 s(0.00%)p1.00(88.24%)d0.13(11.76%)	0.000058489	0.887854885 Hartree
239	RY*(16)C5 s(6.07%)p10.75(65.23%)d4.73(28.70%)	0.000045729	2.538753656 Hartree
240	RY*(17)C5 s(1.55%)p22.89(35.42%)d40.74(63.04%)	0.000395731	2.576049860 Hartree
241	RY*(18)C5 s(95.33%)p0.03(2.66%)d0.02(2.01%)	0.000012049	19.130628632 Hartree
242	RY*(19)C5 s(30.67%)p1.82(55.74%)d0.44(13.58%)	0.000024879	1.770968821 Hartree
243	RY*(20)C5 s(0.72%)p10.18(7.36%)d99.99(91.92%)	0.000001726	3.415419242 Hartree
244	RY*(21)C5 s(0.00%)p1.00(0.38%)d99.99(99.62%)	0.000002044	3.266183715 Hartree
245	RY*(22)C5 s(0.00%)p1.00(91.45%)d0.09(8.55%)	0.000009230	2.456245523 Hartree
246	RY*(1)C6 s(0.40%)p99.99(96.49%)d7.74(3.11%)	0.006813419	1.308387919 Hartree
247	RY*(2)C6 s(0.42%)p99.99(93.06%)d15.61(6.52%)	0.003740531	1.642220681 Hartree
248	RY*(3)C6 s(0.00%)p1.00(8.49%)d10.77(91.51%)	0.001560057	1.930676241 Hartree
249	RY*(4)C6 s(20.02%)p0.17(3.47%)d3.82(76.51%)	0.001416218	1.865619816 Hartree
250	RY*(5)C6 s(41.52%)p0.05(2.06%)d1.36(56.42%)	0.000846410	2.279739554 Hartree
251	RY*(6)C6 s(1.24%)p20.29(25.25%)d59.07(73.51%)	0.000663692	3.218463342 Hartree
252	RY*(7)C6 s(0.00%)p1.00(0.76%)d99.99(99.24%)	0.000525522	2.722663275 Hartree
253	RY*(8)C6 s(23.01%)p0.60(13.85%)d2.74(63.14%)	0.000408539	2.042531814 Hartree
254	RY*(9)C6 s(0.00%)p1.00(91.11%)d0.10(8.89%)	0.000340751	0.794012032 Hartree
255	RY*(10)C6 s(0.00%)p1.00(46.50%)d1.15(53.50%)	0.000191610	1.249810520 Hartree
256	RY*(11)C6 s(1.65%)p21.62(35.62%)d38.06(62.73%)	0.000408948	2.557122963 Hartree
257	RY*(12)C6 s(16.31%)p0.55(8.94%)d4.58(74.75%)	-0.004394858	3.705551469 Hartree
258	RY*(13)C6 s(12.68%)p4.69(59.40%)d2.20(27.93%)	-0.035263242	2.493711172 Hartree
259	RY*(14)C6 s(0.54%)p99.99(90.35%)d16.85(9.11%)	0.008072781	2.788248083 Hartree
260	RY*(15)C6 s(9.93%)p7.93(78.78%)d1.14(11.29%)	0.000123520	4.154370643 Hartree
261	RY*(16)C6 s(87.30%)p0.01(1.01%)d0.13(11.69%)	-0.000000544	4.640756944 Hartree
262	RY*(17)C6 s(15.65%)p3.10(48.58%)d2.29(35.77%)	-0.005018634	3.535035193 Hartree
263	RY*(18)C6 s(30.23%)p1.32(39.87%)d0.99(29.90%)	0.004076089	6.807537639 Hartree
264	RY*(19)C6 s(39.36%)p0.08(3.26%)d1.46(57.38%)	0.000150456	8.513338033 Hartree
265	RY*(20)C6 s(0.00%)p1.00(3.91%)d24.60(96.09%)	0.000001359	1.635940343 Hartree
266	RY*(21)C6 s(0.00%)p1.00(97.45%)d0.03(2.55%)	-0.000000511	2.820694318 Hartree
267	RY*(22)C6 s(0.00%)p1.00(51.81%)d0.93(48.19%)	0.000011643	1.762141564 Hartree
268	RY*(1)C7 s(0.43%)p99.99(89.45%)d23.62(10.12%)	0.005182517	1.244255009 Hartree
269	RY*(2)C7 s(0.00%)p1.00(90.61%)d0.10(9.39%)	0.001466366	0.374609592 Hartree
270	RY*(3)C7 s(0.04%)p99.99(97.96%)d47.74(1.99%)	0.002341359	1.550353990 Hartree
271	RY*(4)C7 s(48.62%)p0.11(5.55%)d0.94(45.83%)	0.000767838	1.794678432 Hartree
272	RY*(5)C7 s(0.00%)p1.00(15.59%)d5.41(84.41%)	0.000421680	2.073872384 Hartree
273	RY*(6)C7 s(11.96%)p2.12(25.41%)d5.24(62.63%)	0.000292991	2.114137584 Hartree
274	RY*(7)C7 s(38.17%)p0.87(33.25%)d0.75(28.58%)	0.000083204	0.950426530 Hartree
275	RY*(8)C7 s(0.00%)p1.00(27.39%)d2.65(72.61%)	0.000188854	0.731891292 Hartree
276	RY*(9)C7 s(9.69%)p5.48(53.11%)d3.84(37.21%)	0.000132018	1.989604975 Hartree
277	RY*(10)C7 s(6.64%)p1.71(11.33%)d12.35(82.03%)	0.000074288	2.775848252 Hartree
278	RY*(11)C7 s(11.72%)p1.77(20.71%)d5.77(67.57%)	-0.000016698	5.456410059 Hartree
279	RY*(12)C7 s(0.00%)p1.00(51.59%)d0.94(48.41%)	0.000053886	1.071385565 Hartree
280	RY*(13)C7 s(8.54%)p4.24(36.27%)d6.46(55.19%)	0.000251280	3.699694115 Hartree
281	RY*(14)C7 s(10.65%)p5.24(55.84%)d3.14(33.50%)	0.000317854	1.931366953 Hartree
282	RY*(15)C7 s(52.34%)p0.78(40.72%)d0.13(6.94%)	0.000031520	1.679267490 Hartree
283	RY*(16)C7 s(14.73%)p2.59(38.08%)d3.20(47.19%)	0.000020849	2.696605841 Hartree
284	RY*(17)C7 s(81.12%)p0.17(13.52%)d0.07(5.36%)	0.000345409	18.153249574 Hartree
285	RY*(18)C7 s(0.00%)p1.00(94.92%)d0.05(5.08%)	-0.000008955	2.688754150 Hartree
286	RY*(19)C7 s(0.00%)p1.00(15.59%)d5.41(84.41%)	0.000005300	2.680518825 Hartree
287	RY*(20)C7 s(1.89%)p3.67(6.92%)d48.34(91.20%)	-0.000035227	3.366263219 Hartree
288	RY*(21)C7 s(3.54%)p20.35(72.07%)d6.88(24.38%)	-0.000339173	1.768656653 Hartree
289	RY*(22)C7 s(0.00%)p1.00(4.35%)d21.99(95.65%)	0.000005958	2.838903673 Hartree
290	RY*(1)C8 s(0.10%)p99.99(91.91%)d83.27(7.99%)	0.006719123	1.234943286 Hartree
291	RY*(2)C8 s(0.31%)p99.99(96.91%)d9.05(2.79%)	0.003311046	1.054715483 Hartree
292	RY*(3)C8 s(0.00%)p1.00(64.58%)d0.55(35.42%)	0.000852389	0.888931445 Hartree
293	RY*(4)C8 s(17.01%)p1.40(23.84%)d3.48(59.15%)	0.000693821	1.995602295 Hartree
294	RY*(5)C8 s(27.73%)p0.45(12.48%)d2.16(59.79%)	0.000229711	1.836490389 Hartree
295	RY*(6)C8 s(0.00%)p1.00(5.84%)d16.11(94.16%)	0.000439558	2.475148962 Hartree
296	RY*(7)C8 s(7.86%)p2.04(16.03%)d9.68(76.11%)	0.000272392	2.204128529 Hartree
297	RY*(8)C8 s(21.26%)p0.83(17.71%)d2.87(61.03%)	0.002092178	1.157660223 Hartree
298	RY*(9)C8 s(17.70%)p2.87(50.86%)d1.78(31.43%)	0.000692021	2.084218626 Hartree
299	RY*(10)C8 s(0.00%)p1.00(71.05%)d0.41(28.95%)	0.000151731	0.911832346 Hartree
300	RY*(11)C8 s(12.89%)p5.21(67.15%)d1.55(19.96%)	0.000078428	4.559686925 Hartree
301	RY*(12)C8 s(1.73%)p32.92(57.03%)d23.80(41.23%)	0.000012256	2.875287217 Hartree
302	RY*(13)C8 s(84.44%)p0.14(11.56%)d0.05(4.00%)	0.000077232	18.826627274 Hartree
303	RY*(14)C8 s(0.00%)p1.00(25.65%)d2.90(74.35%)	0.000013320	0.856362776 Hartree
304	RY*(15)C8 s(1.21%)p43.35(52.35%)d38.46(46.44%)	0.000273079	2.739754673 Hartree
305	RY*(16)C8 s(0.00%)p1.00(33.15%)d2.02(66.85%)	0.000022776	1.209083977 Hartree
306	RY*(17)C8 s(0.74%)p99.99(86.09%)d17.82(13.17%)	0.000196707	2.048667600 Hartree
307	RY*(18)C8 s(0.00%)p1.00(3.57%)d27.01(96.43%)	0.000001506	3.249573907 Hartree
308	RY*(19)C8 s(2.88%)p0.71(2.06%)d33.02(95.06%)	0.000004840	3.537155091 Hartree
309	RY*(20)C8 s(0.00%)p1.00(96.20%)d0.04(3.80%)	0.000010276	2.837706887 Hartree
310	RY*(21)C8 s(4.59%)p3.07(14.06%)d17.74(81.36%)	0.000028444	3.409795121 Hartree
311	RY*(1)H9 s(97.43%)p0.03(2.57%)	0.001163967	1.560406945 Hartree
312	RY*(2)H9 s(0.00%)p1.00(100.00%)	0.000181331	1.929960783 Hartree
313	RY*(3)H9 s(87.15%)p0.15(12.85%)	0.000182187	1.972368192 Hartree
314	RY*(4)H9 s(2.63%)p37.05(97.37%)	0.000050343	2.594175059 Hartree
315	RY*(5)H9 s(12.83%)p6.79(87.17%)	0.000070805	2.573535002 Hartree
316	RY*(1)H10 s(98.21%)p0.02(1.79%)	0.000530896	1.242147758 Hartree
317	RY*(2)H10 s(0.00%)p1.00(100.00%)	0.000247712	1.946744939 Hartree
318	RY*(3)H10 s(99.17%)p0.01(0.83%)	0.000173403	1.836723997 Hartree
319	RY*(4)H10 s(1.09%)p90.46(98.91%)	0.000058699	2.853397282 Hartree
320	RY*(5)H10 s(1.56%)p63.02(98.44%)	-0.000127590	2.616846187 Hartree
321	RY*(1)O11 s(27.92%)p2.52(70.30%)d0.06(1.78%)	0.005906828	0.707991229 Hartree
322	RY*(2)O11 s(0.00%)p1.00(97.85%)d0.02(2.15%)	0.003613186	0.812063127 Hartree
323	RY*(3)O11 s(2.56%)p37.18(95.21%)d0.87(2.23%)	0.002016932	1.075932746 Hartree
324	RY*(4)O11 s(4.54%)p15.45(70.09%)d5.59(25.37%)	0.001032747	1.455389282 Hartree
325	RY*(5)O11 s(55.99%)p0.66(36.80%)d0.13(7.21%)	0.000585452	1.327216334 Hartree
326	RY*(6)O11 s(0.00%)p1.00(92.92%)d0.08(7.08%)	0.000333165	0.706902312 Hartree
327	RY*(7)O11 s(8.00%)p7.90(63.19%)d3.60(28.81%)	0.000278457	1.987393865 Hartree
328	RY*(8)O11 s(0.00%)p1.00(0.34%)d99.99(99.66%)	0.000130501	4.010167397 Hartree
329	RY*(9)O11 s(0.32%)p75.97(24.06%)d99.99(75.62%)	0.000070379	1.906067641 Hartree
330	RY*(10)O11 s(0.81%)p58.95(47.46%)d64.26(51.74%)	0.000047773	2.736838871 Hartree
331	RY*(11)O11 s(0.28%)p99.99(41.52%)d99.99(58.21%)	0.000051774	3.518641506 Hartree
332	RY*(12)O11 s(12.23%)p5.64(68.96%)d1.54(18.81%)	0.000028293	4.209404004 Hartree
333	RY*(13)O11 s(11.64%)p4.03(46.91%)d3.56(41.46%)	0.000024524	3.729988555 Hartree
334	RY*(14)O11 s(0.00%)p1.00(2.55%)d38.16(97.45%)	0.000027419	3.462545771 Hartree
335	RY*(15)O11 s(0.00%)p1.00(6.17%)d15.20(93.83%)	0.000003993	2.916574585 Hartree
336	RY*(16)O11 s(0.00%)p1.00(0.57%)d99.99(99.43%)	0.000000149	6.780207386 Hartree
337	RY*(17)O11 s(0.00%)p1.00(99.71%)d0.00(0.29%)	0.000001221	4.915176847 Hartree
338	RY*(18)O11 s(0.86%)p13.56(11.63%)d99.99(87.51%)	0.000003756	6.740296715 Hartree
339	RY*(19)O11 s(75.23%)p0.25(18.44%)d0.08(6.33%)	0.000005480	2.215035685 Hartree
340	RY*(20)O11 s(0.10%)p24.37(2.37%)d99.99(97.53%)	0.000000482	6.723869824 Hartree
341	RY*(21)O11 s(99.26%)p0.01(0.64%)d0.00(0.10%)	0.000000140	48.954531554 Hartree
342	RY*(22)O11 s(0.27%)p10.94(2.93%)d99.99(96.80%)	0.000001178	6.108056308 Hartree
343	RY*(1)C12 s(34.92%)p1.52(53.12%)d0.34(11.96%)	0.002768540	1.130566971 Hartree
344	RY*(2)C12 s(15.72%)p4.31(67.78%)d1.05(16.50%)	0.002243348	1.071242366 Hartree
345	RY*(3)C12 s(0.00%)p1.00(48.26%)d1.07(51.74%)	0.001789777	1.198448497 Hartree
346	RY*(4)C12 s(12.46%)p5.80(72.32%)d1.22(15.21%)	0.001491046	1.339339127 Hartree
347	RY*(5)C12 s(0.00%)p1.00(71.67%)d0.40(28.33%)	0.001281751	0.968703531 Hartree
348	RY*(6)C12 s(37.84%)p1.18(44.47%)d0.47(17.68%)	0.000147820	1.706938465 Hartree
349	RY*(7)C12 s(1.79%)p11.48(20.55%)d43.37(77.66%)	0.000287915	1.683407527 Hartree
350	RY*(8)C12 s(1.63%)p47.20(77.10%)d13.02(21.27%)	0.000184383	1.318221374 Hartree
351	RY*(9)C12 s(0.00%)p1.00(54.18%)d0.85(45.82%)	0.000187727	2.149358528 Hartree
352	RY*(10)C12 s(0.00%)p1.00(29.11%)d2.44(70.89%)	0.000136574	1.441654115 Hartree
353	RY*(11)C12 s(9.47%)p5.30(50.22%)d4.26(40.31%)	0.000116733	1.655292290 Hartree
354	RY*(12)C12 s(12.23%)p1.65(20.17%)d5.53(67.61%)	0.000085633	1.775290499 Hartree
355	RY*(13)C12 s(0.00%)p1.00(16.50%)d5.06(83.50%)	0.000042842	2.489604043 Hartree
356	RY*(14)C12 s(11.74%)p6.40(75.13%)d1.12(13.14%)	0.000024276	3.486650376 Hartree
357	RY*(15)C12 s(12.90%)p2.80(36.13%)d3.95(50.97%)	0.000040001	3.342672825 Hartree
358	RY*(16)C12 s(0.00%)p1.00(13.87%)d6.21(86.13%)	0.000002079	2.007134673 Hartree
359	RY*(17)C12 s(55.08%)p0.70(38.34%)d0.12(6.58%)	0.000047003	1.697126605 Hartree
360	RY*(18)C12 s(0.77%)p10.31(7.90%)d99.99(91.33%)	-0.000017236	3.187508324 Hartree
361	RY*(19)C12 s(92.37%)p0.07(6.28%)d0.01(1.35%)	0.000000252	21.215841365 Hartree
362	RY*(20)C12 s(0.26%)p74.49(19.45%)d99.99(80.29%)	0.000020365	2.984586415 Hartree
363	RY*(21)C12 s(0.64%)p18.19(11.57%)d99.99(87.79%)	0.000003332	2.426542947 Hartree
364	RY*(22)C12 s(0.00%)p1.00(66.53%)d0.50(33.47%)	0.000001894	3.032742188 Hartree
365	RY*(1)C13 s(0.00%)p1.00(96.60%)d0.04(3.40%)	0.003367314	0.874782174 Hartree
366	RY*(2)C13 s(15.42%)p4.44(68.41%)d1.05(16.17%)	0.001698613	0.968937629 Hartree
367	RY*(3)C13 s(0.00%)p1.00(89.40%)d0.12(10.60%)	0.001931205	0.900909521 Hartree
368	RY*(4)C13 s(63.60%)p0.48(30.47%)d0.09(5.93%)	0.000425378	1.410802925 Hartree
369	RY*(5)C13 s(0.00%)p1.00(16.43%)d5.08(83.57%)	0.000272566	1.568075946 Hartree
370	RY*(6)C13 s(52.68%)p0.60(31.41%)d0.30(15.91%)	-0.001907144	2.186420123 Hartree
371	RY*(7)C13 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000225378	2.797755073 Hartree
372	RY*(8)C13 s(0.00%)p1.00(97.82%)d0.02(2.18%)	0.000094230	2.988018894 Hartree
373	RY*(9)C13 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000056735	1.480596491 Hartree
374	RY*(10)C13 s(0.00%)p1.00(17.66%)d4.66(82.34%)	0.000064750	1.290896120 Hartree
375	RY*(11)C13 s(0.00%)p1.00(59.81%)d0.67(40.19%)	0.000032609	1.669195238 Hartree
376	RY*(12)C13 s(9.53%)p0.19(1.76%)d9.30(88.70%)	0.000039424	1.544825520 Hartree
377	RY*(13)C13 s(0.00%)p1.00(3.42%)d28.23(96.58%)	0.000026073	3.601279357 Hartree
378	RY*(14)C13 s(0.00%)p1.00(85.83%)d0.17(14.17%)	0.000358793	1.072796063 Hartree
379	RY*(15)C13 s(99.66%)p0.00(0.03%)d0.00(0.31%)	0.000068617	22.066292012 Hartree
380	RY*(16)C13 s(8.49%)p9.23(78.35%)d1.55(13.16%)	-0.000006453	1.083677279 Hartree
381	RY*(17)C13 s(9.00%)p8.86(79.71%)d1.26(11.30%)	0.000058967	2.177528509 Hartree
382	RY*(18)C13 s(0.00%)p1.00(43.68%)d1.29(56.32%)	0.000000221	2.132583842 Hartree
383	RY*(19)C13 s(33.58%)p0.14(4.64%)d1.84(61.78%)	0.000016582	2.316246231 Hartree
384	RY*(20)C13 s(6.33%)p0.38(2.38%)d14.42(91.29%)	0.000007309	3.484795735 Hartree
385	RY*(21)C13 s(1.62%)p1.89(3.07%)d58.83(95.31%)	0.000006829	1.686943884 Hartree
386	RY*(22)C13 s(0.00%)p1.00(89.55%)d0.12(10.45%)	0.000000148	3.163692664 Hartree
387	RY*(1)C14 s(34.92%)p1.52(53.12%)d0.34(11.96%)	0.002769545	1.130563672 Hartree
388	RY*(2)C14 s(15.72%)p4.31(67.78%)d1.05(16.50%)	0.002236679	1.071242732 Hartree
389	RY*(3)C14 s(0.00%)p1.00(48.26%)d1.07(51.74%)	0.001789097	1.198447154 Hartree
390	RY*(4)C14 s(12.46%)p5.80(72.32%)d1.22(15.21%)	0.001488045	1.339333461 Hartree
391	RY*(5)C14 s(0.00%)p1.00(71.67%)d0.40(28.33%)	0.001280732	0.968703840 Hartree
392	RY*(6)C14 s(37.84%)p1.18(44.47%)d0.47(17.68%)	0.001068549	1.706945127 Hartree
393	RY*(7)C14 s(1.79%)p11.48(20.55%)d43.37(77.66%)	0.003252424	1.683331953 Hartree
394	RY*(8)C14 s(1.63%)p47.20(77.10%)d13.02(21.27%)	0.000196290	1.318159787 Hartree
395	RY*(9)C14 s(0.00%)p1.00(54.18%)d0.85(45.82%)	0.000183423	2.149358678 Hartree
396	RY*(10)C14 s(0.00%)p1.00(29.11%)d2.44(70.89%)	0.000134530	1.441654539 Hartree
397	RY*(11)C14 s(9.47%)p5.30(50.22%)d4.26(40.31%)	0.003345351	1.655187802 Hartree
398	RY*(12)C14 s(12.23%)p1.65(20.17%)d5.53(67.61%)	-0.000227823	1.775260987 Hartree
399	RY*(13)C14 s(0.00%)p1.00(16.50%)d5.06(83.50%)	0.000042381	2.489604208 Hartree
400	RY*(14)C14 s(11.74%)p6.40(75.13%)d1.12(13.14%)	0.000277848	3.486637496 Hartree
401	RY*(15)C14 s(12.90%)p2.80(36.13%)d3.95(50.97%)	0.001227511	3.342671610 Hartree
402	RY*(16)C14 s(0.00%)p1.00(13.87%)d6.21(86.13%)	0.000002054	2.007134863 Hartree
403	RY*(17)C14 s(55.08%)p0.70(38.34%)d0.12(6.58%)	0.000002544	1.696612524 Hartree
404	RY*(18)C14 s(0.77%)p10.31(7.90%)d99.99(91.33%)	0.000156419	3.187494272 Hartree
405	RY*(19)C14 s(92.37%)p0.07(6.28%)d0.01(1.35%)	-0.000186272	21.215822674 Hartree
406	RY*(20)C14 s(0.26%)p74.49(19.45%)d99.99(80.29%)	0.000137262	2.984553658 Hartree
407	RY*(21)C14 s(0.64%)p18.19(11.57%)d99.99(87.79%)	0.000016158	2.426514513 Hartree
408	RY*(22)C14 s(0.00%)p1.00(66.53%)d0.50(33.47%)	0.000001861	3.032742166 Hartree
409	RY*(1)O15 s(27.92%)p2.52(70.30%)d0.06(1.78%)	0.005877547	0.707982187 Hartree
410	RY*(2)O15 s(0.00%)p1.00(97.85%)d0.02(2.15%)	0.003613164	0.812063147 Hartree
411	RY*(3)O15 s(2.56%)p37.18(95.21%)d0.87(2.23%)	0.002016861	1.075930119 Hartree
412	RY*(4)O15 s(4.54%)p15.45(70.09%)d5.59(25.37%)	0.001028911	1.455388122 Hartree
413	RY*(5)O15 s(55.99%)p0.66(36.80%)d0.13(7.21%)	0.000592976	1.327214466 Hartree
414	RY*(6)O15 s(0.00%)p1.00(92.92%)d0.08(7.08%)	0.000333156	0.706902303 Hartree
415	RY*(7)O15 s(8.00%)p7.90(63.19%)d3.60(28.81%)	0.000280302	1.987389358 Hartree
416	RY*(8)O15 s(0.00%)p1.00(0.34%)d99.99(99.66%)	0.000130498	4.010167397 Hartree
417	RY*(9)O15 s(0.32%)p75.97(24.06%)d99.99(75.62%)	0.000070386	1.906068162 Hartree
418	RY*(10)O15 s(0.81%)p58.95(47.46%)d64.26(51.74%)	0.000047373	2.736837548 Hartree
419	RY*(11)O15 s(0.28%)p99.99(41.52%)d99.99(58.21%)	0.000051551	3.518626446 Hartree
420	RY*(12)O15 s(12.23%)p5.64(68.96%)d1.54(18.81%)	0.000026772	4.209392285 Hartree
421	RY*(13)O15 s(11.64%)p4.03(46.91%)d3.56(41.46%)	0.000022815	3.729981191 Hartree
422	RY*(14)O15 s(0.00%)p1.00(2.55%)d38.16(97.45%)	0.000027420	3.462545810 Hartree
423	RY*(15)O15 s(0.00%)p1.00(6.17%)d15.20(93.83%)	0.000003956	2.916574796 Hartree
424	RY*(16)O15 s(0.00%)p1.00(0.57%)d99.99(99.43%)	0.000000148	6.780207348 Hartree
425	RY*(17)O15 s(0.00%)p1.00(99.71%)d0.00(0.29%)	0.000001122	4.915176405 Hartree
426	RY*(18)O15 s(0.86%)p13.56(11.63%)d99.99(87.51%)	0.000003875	6.740295921 Hartree
427	RY*(19)O15 s(75.23%)p0.25(18.44%)d0.08(6.33%)	0.000010507	2.215020674 Hartree
428	RY*(20)O15 s(0.10%)p24.37(2.37%)d99.99(97.53%)	0.000000510	6.723870012 Hartree
429	RY*(21)O15 s(99.26%)p0.01(0.64%)d0.00(0.10%)	0.000000135	48.954531538 Hartree
430	RY*(22)O15 s(0.27%)p10.94(2.93%)d99.99(96.80%)	0.000001155	6.108055936 Hartree
431	RY*(1)C16 s(0.40%)p99.99(96.49%)d7.74(3.11%)	0.006805211	1.308379741 Hartree
432	RY*(2)C16 s(0.42%)p99.99(93.06%)d15.61(6.52%)	0.003739153	1.642223141 Hartree
433	RY*(3)C16 s(0.00%)p1.00(8.49%)d10.77(91.51%)	0.001557876	1.930670827 Hartree
434	RY*(4)C16 s(20.02%)p0.17(3.47%)d3.82(76.51%)	0.001432979	1.865606007 Hartree
435	RY*(5)C16 s(41.52%)p0.05(2.06%)d1.36(56.42%)	0.000802395	2.279743579 Hartree
436	RY*(6)C16 s(1.24%)p20.29(25.25%)d59.07(73.51%)	0.000633236	3.218467244 Hartree
437	RY*(7)C16 s(0.00%)p1.00(0.76%)d99.99(99.24%)	0.000525607	2.722662978 Hartree
438	RY*(8)C16 s(23.01%)p0.60(13.85%)d2.74(63.14%)	0.000399630	2.042495914 Hartree
439	RY*(9)C16 s(0.00%)p1.00(91.11%)d0.10(8.89%)	0.000340644	0.794013225 Hartree
440	RY*(10)C16 s(0.00%)p1.00(46.50%)d1.15(53.50%)	0.000175876	1.249775527 Hartree
441	RY*(11)C16 s(1.65%)p21.62(35.62%)d38.06(62.73%)	0.000129754	2.557109317 Hartree
442	RY*(12)C16 s(16.31%)p0.55(8.94%)d4.58(74.75%)	0.000109726	3.705542283 Hartree
443	RY*(13)C16 s(12.68%)p4.69(59.40%)d2.20(27.93%)	0.000057305	2.493622849 Hartree
444	RY*(14)C16 s(0.54%)p99.99(90.35%)d16.85(9.11%)	0.000023397	2.788483660 Hartree
445	RY*(15)C16 s(9.93%)p7.93(78.78%)d1.14(11.29%)	0.000019871	4.154122356 Hartree
446	RY*(16)C16 s(87.29%)p0.01(1.01%)d0.13(11.69%)	-0.000196850	4.640757439 Hartree
447	RY*(17)C16 s(15.65%)p3.10(48.58%)d2.29(35.77%)	0.000016443	3.535005324 Hartree
448	RY*(18)C16 s(30.23%)p1.32(39.87%)d0.99(29.90%)	0.000018446	6.807359721 Hartree
449	RY*(19)C16 s(39.36%)p0.08(3.26%)d1.46(57.38%)	-0.000023595	8.513335030 Hartree
450	RY*(20)C16 s(0.00%)p1.00(3.91%)d24.60(96.09%)	0.000001102	1.635943001 Hartree
451	RY*(21)C16 s(0.00%)p1.00(97.45%)d0.03(2.55%)	0.000008611	2.820182804 Hartree
452	RY*(22)C16 s(0.00%)p1.00(51.81%)d0.93(48.19%)	0.000001396	1.762049518 Hartree
453	RY*(1)C17 s(0.43%)p99.99(89.45%)d23.62(10.12%)	0.005126199	1.244261814 Hartree
454	RY*(2)C17 s(0.00%)p1.00(90.61%)d0.10(9.39%)	0.001466247	0.374626319 Hartree
455	RY*(3)C17 s(0.04%)p99.99(97.96%)d47.74(1.99%)	0.001386326	1.550244437 Hartree
456	RY*(4)C17 s(48.62%)p0.11(5.55%)d0.94(45.83%)	0.000904434	1.794661049 Hartree
457	RY*(5)C17 s(0.00%)p1.00(15.59%)d5.41(84.41%)	0.000419526	2.073870316 Hartree
458	RY*(6)C17 s(11.96%)p2.12(25.41%)d5.24(62.63%)	0.000043053	2.114112000 Hartree
459	RY*(7)C17 s(38.17%)p0.87(33.25%)d0.75(28.58%)	0.000268524	0.950428169 Hartree
460	RY*(8)C17 s(0.00%)p1.00(27.39%)d2.65(72.61%)	0.000179847	0.731892488 Hartree
461	RY*(9)C17 s(9.69%)p5.48(53.11%)d3.84(37.21%)	0.000135312	1.989576677 Hartree
462	RY*(10)C17 s(6.64%)p1.71(11.33%)d12.35(82.03%)	0.000096565	2.775880907 Hartree
463	RY*(11)C17 s(11.72%)p1.77(20.71%)d5.77(67.57%)	0.000073156	5.456413979 Hartree
464	RY*(12)C17 s(0.00%)p1.00(51.59%)d0.94(48.41%)	0.000045647	1.071419468 Hartree
465	RY*(13)C17 s(8.54%)p4.24(36.27%)d6.46(55.19%)	0.000048480	3.699640933 Hartree
466	RY*(14)C17 s(10.65%)p5.24(55.84%)d3.14(33.50%)	0.000029514	1.931292919 Hartree
467	RY*(15)C17 s(52.34%)p0.78(40.72%)d0.13(6.94%)	0.000026959	1.679070118 Hartree
468	RY*(16)C17 s(14.73%)p2.59(38.08%)d3.20(47.19%)	0.000019672	2.696447184 Hartree
469	RY*(17)C17 s(81.12%)p0.17(13.52%)d0.07(5.36%)	0.000002512	18.153242322 Hartree
470	RY*(18)C17 s(0.00%)p1.00(94.92%)d0.05(5.08%)	0.000001545	2.688705128 Hartree
471	RY*(19)C17 s(0.00%)p1.00(15.59%)d5.41(84.41%)	0.000002984	2.680513775 Hartree
472	RY*(20)C17 s(1.89%)p3.67(6.92%)d48.34(91.20%)	-0.000011444	3.366247269 Hartree
473	RY*(21)C17 s(3.54%)p20.35(72.07%)d6.88(24.38%)	-0.000062838	1.768626599 Hartree
474	RY*(22)C17 s(0.00%)p1.00(4.35%)d21.99(95.65%)	0.000007157	2.838909773 Hartree
475	RY*(1)C18 s(0.10%)p99.99(91.91%)d83.27(7.99%)	0.006705942	1.234939041 Hartree
476	RY*(2)C18 s(0.31%)p99.99(96.91%)d9.05(2.79%)	0.003269403	1.054720633 Hartree
477	RY*(3)C18 s(0.00%)p1.00(64.58%)d0.55(35.42%)	0.000846645	0.888963943 Hartree
478	RY*(4)C18 s(17.01%)p1.40(23.84%)d3.48(59.15%)	0.000573456	1.994953080 Hartree
479	RY*(5)C18 s(27.73%)p0.45(12.48%)d2.16(59.79%)	0.000488563	1.836433010 Hartree
480	RY*(6)C18 s(0.00%)p1.00(5.84%)d16.11(94.16%)	0.000437995	2.475139090 Hartree
481	RY*(7)C18 s(7.86%)p2.04(16.03%)d9.68(76.11%)	0.000342002	2.204151116 Hartree
482	RY*(8)C18 s(21.26%)p0.83(17.71%)d2.87(61.03%)	0.000228994	1.157618295 Hartree
483	RY*(9)C18 s(17.70%)p2.87(50.86%)d1.78(31.43%)	0.000137552	2.083566333 Hartree
484	RY*(10)C18 s(0.00%)p1.00(71.05%)d0.41(28.95%)	0.000142592	0.911794322 Hartree
485	RY*(11)C18 s(12.89%)p5.21(67.15%)d1.55(19.96%)	0.000068270	4.559566376 Hartree
486	RY*(12)C18 s(1.73%)p32.92(57.03%)d23.80(41.23%)	0.000057245	2.875174847 Hartree
487	RY*(13)C18 s(84.44%)p0.14(11.56%)d0.05(4.00%)	0.000009072	18.826591390 Hartree
488	RY*(14)C18 s(0.00%)p1.00(25.65%)d2.90(74.35%)	0.000014390	0.856360737 Hartree
489	RY*(15)C18 s(1.21%)p43.35(52.35%)d38.46(46.44%)	0.000015014	2.738913408 Hartree
490	RY*(16)C18 s(0.00%)p1.00(33.15%)d2.02(66.85%)	0.000017367	1.209121706 Hartree
491	RY*(17)C18 s(0.74%)p99.99(86.09%)d17.82(13.17%)	0.000018287	2.048564996 Hartree
492	RY*(18)C18 s(0.00%)p1.00(3.57%)d27.01(96.43%)	0.000000372	3.249547922 Hartree
493	RY*(19)C18 s(2.88%)p0.71(2.06%)d33.02(95.06%)	0.000004836	3.537120832 Hartree
494	RY*(20)C18 s(0.00%)p1.00(96.20%)d0.04(3.80%)	0.000006239	2.837657909 Hartree
495	RY*(21)C18 s(4.59%)p3.07(14.06%)d17.74(81.36%)	0.000008536	3.409769103 Hartree
496	RY*(1)C19 s(3.28%)p27.51(90.31%)d1.95(6.41%)	0.007193928	1.379709583 Hartree
497	RY*(2)C19 s(2.76%)p32.75(90.53%)d2.43(6.71%)	0.004988139	1.247549843 Hartree
498	RY*(3)C19 s(66.60%)p0.18(11.86%)d0.32(21.54%)	0.001164189	1.319270812 Hartree
499	RY*(4)C19 s(0.00%)p1.00(78.92%)d0.27(21.08%)	0.001117330	0.675361504 Hartree
500	RY*(5)C19 s(16.85%)p0.37(6.22%)d4.57(76.93%)	0.000685971	2.132462269 Hartree
501	RY*(6)C19 s(3.58%)p7.40(26.46%)d19.56(69.96%)	0.000521998	2.801140211 Hartree
502	RY*(7)C19 s(0.00%)p1.00(0.98%)d99.99(99.02%)	0.000402273	2.835394841 Hartree
503	RY*(8)C19 s(8.37%)p1.84(15.44%)d9.10(76.20%)	0.000285910	2.267478611 Hartree
504	RY*(9)C19 s(0.00%)p1.00(8.30%)d11.04(91.70%)	0.000267249	1.877323679 Hartree
505	RY*(10)C19 s(4.65%)p9.79(45.48%)d10.74(49.88%)	0.000231830	2.221344129 Hartree
506	RY*(11)C19 s(7.05%)p9.92(69.99%)d3.25(22.96%)	0.000126535	2.163350751 Hartree
507	RY*(12)C19 s(0.00%)p1.00(20.97%)d3.77(79.03%)	0.000058448	1.476124659 Hartree
508	RY*(13)C19 s(7.03%)p7.65(53.81%)d5.57(39.16%)	0.000130500	3.265975495 Hartree
509	RY*(14)C19 s(6.30%)p4.33(27.29%)d10.54(66.40%)	0.000078694	2.782535299 Hartree
510	RY*(15)C19 s(16.53%)p2.70(44.65%)d2.35(38.82%)	0.000039834	3.369527288 Hartree
511	RY*(16)C19 s(6.89%)p11.59(79.86%)d1.92(13.25%)	0.000054726	2.579390320 Hartree
512	RY*(17)C19 s(0.00%)p1.00(86.63%)d0.15(13.37%)	0.000003865	0.445644276 Hartree
513	RY*(18)C19 s(0.00%)p1.00(97.05%)d0.03(2.95%)	0.000000165	2.807305139 Hartree
514	RY*(19)C19 s(0.00%)p1.00(7.16%)d12.97(92.84%)	0.000000250	2.556909515 Hartree
515	RY*(20)C19 s(2.19%)p0.20(0.44%)d44.37(97.36%)	0.000001546	3.536682352 Hartree
516	RY*(21)C19 s(86.14%)p0.10(8.61%)d0.06(5.25%)	0.000004658	18.833053916 Hartree
517	RY*(22)C19 s(61.88%)p0.47(29.18%)d0.14(8.94%)	0.000041332	1.943107475 Hartree
518	RY*(1)C20 s(0.15%)p99.99(90.00%)d65.98(9.85%)	0.005331390	1.322760732 Hartree
519	RY*(2)C20 s(1.88%)p51.74(97.33%)d0.42(0.79%)	0.001700990	1.485826093 Hartree
520	RY*(3)C20 s(0.00%)p1.00(77.91%)d0.28(22.09%)	0.000840326	0.548679588 Hartree
521	RY*(4)C20 s(21.85%)p0.71(15.60%)d2.86(62.54%)	0.000727595	2.119968992 Hartree
522	RY*(5)C20 s(0.00%)p1.00(0.86%)d99.99(99.14%)	0.000575480	2.184579894 Hartree
523	RY*(6)C20 s(26.79%)p1.28(34.24%)d1.45(38.97%)	0.000372802	2.243353050 Hartree
524	RY*(7)C20 s(25.26%)p0.99(25.02%)d1.97(49.72%)	0.000248907	1.680915261 Hartree
525	RY*(8)C20 s(16.06%)p0.69(11.14%)d4.53(72.80%)	0.000135830	1.781949995 Hartree
526	RY*(9)C20 s(33.22%)p1.19(39.41%)d0.82(27.37%)	0.000193319	3.104732127 Hartree
527	RY*(10)C20 s(0.00%)p1.00(37.09%)d1.70(62.91%)	0.000132157	1.116527631 Hartree
528	RY*(11)C20 s(15.32%)p1.95(29.82%)d3.58(54.85%)	0.000116664	2.125964951 Hartree
529	RY*(12)C20 s(4.59%)p10.12(46.42%)d10.68(48.99%)	0.000042423	3.293227624 Hartree
530	RY*(13)C20 s(27.79%)p1.17(32.48%)d1.43(39.73%)	0.000043442	1.777287963 Hartree
531	RY*(14)C20 s(3.73%)p20.38(75.97%)d5.45(20.31%)	0.000038683	2.970237394 Hartree
532	RY*(15)C20 s(0.00%)p1.00(54.60%)d0.83(45.40%)	0.000032666	0.756433323 Hartree
533	RY*(16)C20 s(27.45%)p1.83(50.15%)d0.82(22.40%)	0.000004744	2.945405018 Hartree
534	RY*(17)C20 s(0.67%)p75.11(50.18%)d73.56(49.15%)	0.000016566	2.214791062 Hartree
535	RY*(18)C20 s(0.00%)p1.00(29.65%)d2.37(70.35%)	0.000016147	1.813487003 Hartree
536	RY*(19)C20 s(93.92%)p0.02(1.71%)d0.05(4.37%)	0.000004292	18.302524626 Hartree
537	RY*(20)C20 s(1.46%)p0.43(0.62%)d66.98(97.91%)	0.000000242	3.487183359 Hartree
538	RY*(21)C20 s(0.00%)p1.00(95.73%)d0.04(4.27%)	0.000000625	2.789958360 Hartree
539	RY*(22)C20 s(0.00%)p1.00(4.19%)d22.88(95.81%)	0.000000167	3.226498128 Hartree
540	RY*(1)C21 s(0.12%)p99.99(88.76%)d92.77(11.12%)	0.006095169	1.317520517 Hartree
541	RY*(2)C21 s(1.26%)p76.83(96.88%)d1.48(1.86%)	0.002845101	1.144445153 Hartree
542	RY*(3)C21 s(55.16%)p0.12(6.81%)d0.69(38.03%)	0.000996596	1.990272311 Hartree
543	RY*(4)C21 s(0.00%)p1.00(85.32%)d0.17(14.68%)	0.000932731	0.467910586 Hartree
544	RY*(5)C21 s(0.00%)p1.00(13.13%)d6.62(86.87%)	0.000365715	2.590350732 Hartree
545	RY*(6)C21 s(4.05%)p9.94(40.31%)d13.73(55.64%)	0.000351212	2.329465463 Hartree
546	RY*(7)C21 s(0.00%)p1.00(10.91%)d8.17(89.09%)	0.000162182	0.981301027 Hartree
547	RY*(8)C21 s(25.68%)p0.71(18.16%)d2.19(56.17%)	0.000123319	2.205047123 Hartree
548	RY*(9)C21 s(8.59%)p1.31(11.26%)d9.33(80.15%)	0.000104536	1.943069037 Hartree
549	RY*(10)C21 s(23.20%)p1.44(33.48%)d1.87(43.31%)	0.000091455	2.279593184 Hartree
550	RY*(11)C21 s(17.86%)p3.00(53.50%)d1.60(28.64%)	0.000040944	3.373719226 Hartree
551	RY*(12)C21 s(3.77%)p15.69(59.19%)d9.82(37.03%)	0.000005274	1.806991378 Hartree
552	RY*(13)C21 s(0.00%)p1.00(10.62%)d8.42(89.38%)	0.000010275	1.729581129 Hartree
553	RY*(14)C21 s(26.09%)p0.97(25.40%)d1.86(48.51%)	0.000014910	2.610936369 Hartree
554	RY*(15)C21 s(0.00%)p1.00(88.24%)d0.13(11.76%)	0.000019890	0.888063661 Hartree
555	RY*(16)C21 s(6.07%)p10.75(65.23%)d4.73(28.70%)	0.000014022	2.538225203 Hartree
556	RY*(17)C21 s(1.55%)p22.89(35.42%)d40.74(63.04%)	0.000014910	2.575516981 Hartree
557	RY*(18)C21 s(95.33%)p0.03(2.66%)d0.02(2.01%)	0.000006193	19.130476651 Hartree
558	RY*(19)C21 s(30.67%)p1.82(55.74%)d0.44(13.58%)	0.000005654	1.771106371 Hartree
559	RY*(20)C21 s(0.72%)p10.18(7.36%)d99.99(91.92%)	0.000001143	3.415408415 Hartree
560	RY*(21)C21 s(0.00%)p1.00(0.38%)d99.99(99.62%)	0.000001601	3.266181563 Hartree
561	RY*(22)C21 s(0.00%)p1.00(91.45%)d0.09(8.55%)	0.000003761	2.456163851 Hartree
562	RY*(1)H22 s(99.91%)p0.00(0.09%)	0.000860138	1.448007894 Hartree
563	RY*(2)H22 s(0.00%)p1.00(100.00%)	0.000215235	1.947760180 Hartree
564	RY*(3)H22 s(89.53%)p0.12(10.47%)	0.000127654	1.892855192 Hartree
565	RY*(4)H22 s(0.24%)p99.99(99.76%)	0.000040039	2.653850421 Hartree
566	RY*(5)H22 s(10.36%)p8.65(89.64%)	0.000047851	2.604322794 Hartree
567	RY*(1)H23 s(98.78%)p0.01(1.22%)	0.000558689	1.278770000 Hartree
568	RY*(2)H23 s(0.00%)p1.00(100.00%)	0.000206811	1.914497567 Hartree
569	RY*(3)H23 s(93.50%)p0.07(6.50%)	0.000170048	1.985788279 Hartree
570	RY*(4)H23 s(3.90%)p24.67(96.10%)	0.000064833	2.697667167 Hartree
571	RY*(5)H23 s(3.87%)p24.86(96.13%)	0.000036956	2.626245524 Hartree
572	RY*(1)C24 s(12.43%)p7.03(87.43%)d0.01(0.14%)	0.015937502	1.010120848 Hartree
573	RY*(2)C24 s(2.48%)p29.89(74.15%)d9.42(23.37%)	0.003990486	1.777973765 Hartree
574	RY*(3)C24 s(12.47%)p3.14(39.13%)d3.88(48.40%)	0.001931305	2.133031034 Hartree
575	RY*(4)C24 s(0.00%)p1.00(34.92%)d1.86(65.08%)	0.001419788	1.777983201 Hartree
576	RY*(5)C24 s(0.00%)p1.00(29.52%)d2.39(70.48%)	0.000725307	1.606321599 Hartree
577	RY*(6)C24 s(24.92%)p1.52(37.97%)d1.49(37.11%)	0.000676129	1.735740526 Hartree
578	RY*(7)C24 s(21.96%)p1.92(42.13%)d1.64(35.91%)	0.000337472	2.408645073 Hartree
579	RY*(8)C24 s(36.96%)p1.36(50.43%)d0.34(12.61%)	0.000208864	1.529370995 Hartree
580	RY*(9)C24 s(15.69%)p2.34(36.64%)d3.04(47.67%)	0.000128104	4.811917713 Hartree
581	RY*(10)C24 s(2.14%)p24.16(51.75%)d21.53(46.11%)	0.000054007	2.373569742 Hartree
582	RY*(11)C24 s(0.00%)p1.00(38.21%)d1.62(61.79%)	0.000064895	1.594628153 Hartree
583	RY*(12)C24 s(65.42%)p0.27(17.47%)d0.26(17.11%)	0.000027580	5.502179444 Hartree
584	RY*(13)C24 s(0.00%)p1.00(96.66%)d0.03(3.34%)	0.000000868	0.437553910 Hartree
585	RY*(14)C24 s(0.00%)p1.00(0.83%)d99.99(99.17%)	0.000000116	3.057260298 Hartree
586	RY*(15)C24 s(32.50%)p1.18(38.39%)d0.90(29.11%)	0.000006369	3.813284800 Hartree
587	RY*(16)C24 s(0.00%)p1.00(0.34%)d99.99(99.66%)	0.000001081	2.903356279 Hartree
588	RY*(17)C24 s(0.00%)p1.00(99.67%)d0.00(0.33%)	0.000000352	2.725571336 Hartree
589	RY*(18)C24 s(1.49%)p8.78(13.05%)d57.50(85.46%)	0.000007769	3.121125455 Hartree
590	RY*(19)C24 s(60.54%)p0.01(0.86%)d0.64(38.61%)	0.000001655	12.702914773 Hartree
591	RY*(20)C24 s(3.97%)p4.27(16.94%)d19.92(79.09%)	0.000003964	3.579777340 Hartree
592	RY*(21)C24 s(6.49%)p14.21(92.15%)d0.21(1.36%)	0.000005073	2.487831760 Hartree
593	RY*(22)C24 s(0.64%)p2.49(1.60%)d99.99(97.75%)	0.000009734	2.892192998 Hartree
594	RY*(1)C25 s(7.74%)p11.43(88.46%)d0.49(3.79%)	0.002310620	0.846572823 Hartree
595	RY*(2)C25 s(19.96%)p2.61(52.06%)d1.40(27.98%)	0.001112554	0.884574619 Hartree
596	RY*(3)C25 s(23.91%)p1.16(27.71%)d2.02(48.37%)	0.000567707	0.982947104 Hartree
597	RY*(4)C25 s(0.00%)p1.00(38.85%)d1.57(61.15%)	0.000351013	0.907967525 Hartree
598	RY*(5)C25 s(0.00%)p1.00(17.38%)d4.75(82.62%)	0.000179477	1.493028046 Hartree
599	RY*(6)C25 s(9.78%)p4.97(48.63%)d4.25(41.59%)	0.000187221	1.101413503 Hartree
600	RY*(7)C25 s(18.26%)p2.46(45.01%)d2.01(36.73%)	0.000142575	1.760342754 Hartree
601	RY*(8)C25 s(18.49%)p3.65(67.54%)d0.76(13.97%)	0.000065097	2.288559887 Hartree
602	RY*(9)C25 s(46.52%)p0.07(3.16%)d1.08(50.32%)	0.000023139	0.986074821 Hartree
603	RY*(10)C25 s(0.00%)p1.00(44.56%)d1.24(55.44%)	0.000028809	0.739650478 Hartree
604	RY*(11)C25 s(0.00%)p1.00(75.86%)d0.32(24.14%)	0.000000556	0.494604232 Hartree
605	RY*(12)C25 s(4.41%)p18.95(83.54%)d2.73(12.05%)	0.000005445	2.172088615 Hartree
606	RY*(13)C25 s(0.00%)p1.00(95.45%)d0.05(4.55%)	0.000000097	2.984746138 Hartree
607	RY*(14)C25 s(0.00%)p1.00(7.79%)d11.83(92.21%)	0.000000021	3.049343678 Hartree
608	RY*(15)C25 s(98.74%)p0.01(1.13%)d0.00(0.13%)	0.000000152	22.863306194 Hartree
609	RY*(16)C25 s(0.00%)p1.00(20.25%)d3.94(79.75%)	0.000000149	2.991834915 Hartree
610	RY*(17)C25 s(1.59%)p35.30(56.23%)d26.48(42.18%)	0.000007086	0.771262787 Hartree
611	RY*(18)C25 s(0.74%)p1.39(1.03%)d99.99(98.22%)	0.000001154	3.567681774 Hartree
612	RY*(19)C25 s(16.07%)p3.69(59.35%)d1.53(24.58%)	0.000003489	1.721964560 Hartree
613	RY*(20)C25 s(0.45%)p2.12(0.94%)d99.99(98.61%)	0.000002922	3.583984423 Hartree
614	RY*(21)C25 s(33.36%)p1.88(62.73%)d0.12(3.91%)	0.000005365	0.790421499 Hartree
615	RY*(22)C25 s(0.01%)p99.99(2.69%)d99.99(97.29%)	0.000002022	3.309338666 Hartree
616	RY*(1)H26 s(98.11%)p0.02(1.89%)	0.001453330	0.982965936 Hartree
617	RY*(2)H26 s(59.02%)p0.69(40.98%)	0.000122083	2.105822416 Hartree
618	RY*(3)H26 s(0.00%)p1.00(100.00%)	0.000114306	1.896517672 Hartree
619	RY*(4)H26 s(20.00%)p4.00(80.00%)	0.000090547	2.226274599 Hartree
620	RY*(5)H26 s(22.90%)p3.37(77.10%)	0.000028773	2.335766827 Hartree
621	RY*(1)H27 s(96.84%)p0.03(3.16%)	0.000903206	0.747741984 Hartree
622	RY*(2)H27 s(37.34%)p1.68(62.66%)	0.000126862	2.009929325 Hartree
623	RY*(3)H27 s(1.39%)p70.94(98.61%)	0.000123367	1.989006316 Hartree
624	RY*(4)H27 s(59.27%)p0.69(40.73%)	0.000066182	2.209582067 Hartree
625	RY*(5)H27 s(5.17%)p18.32(94.83%)	0.000029617	2.602388339 Hartree
626	RY*(1)H28 s(96.84%)p0.03(3.16%)	0.000903206	0.747741985 Hartree
627	RY*(2)H28 s(37.34%)p1.68(62.66%)	0.000126864	2.009929325 Hartree
628	RY*(3)H28 s(1.39%)p70.94(98.61%)	0.000123344	1.989006315 Hartree
629	RY*(4)H28 s(59.27%)p0.69(40.73%)	0.000066185	2.209582068 Hartree
630	RY*(5)H28 s(5.17%)p18.32(94.83%)	0.000029618	2.602388339 Hartree
631	RY*(1)O29 s(2.46%)p39.12(96.28%)d0.51(1.26%)	0.004723162	0.891490808 Hartree
632	RY*(2)O29 s(0.00%)p1.00(93.95%)d0.06(6.05%)	0.000865041	0.794509218 Hartree
633	RY*(3)O29 s(61.03%)p0.49(29.79%)d0.15(9.18%)	0.000546688	1.360964288 Hartree
634	RY*(4)O29 s(20.20%)p3.39(68.43%)d0.56(11.37%)	0.000235134	1.154338294 Hartree
635	RY*(5)O29 s(9.56%)p1.13(10.80%)d8.33(79.64%)	0.000137823	2.427524389 Hartree
636	RY*(6)O29 s(0.00%)p1.00(22.96%)d3.36(77.04%)	0.000097377	1.442658760 Hartree
637	RY*(7)O29 s(8.06%)p2.91(23.45%)d8.50(68.49%)	0.000083851	1.889524130 Hartree
638	RY*(8)O29 s(5.48%)p7.67(42.04%)d9.58(52.48%)	0.000033727	2.860146430 Hartree
639	RY*(9)O29 s(1.56%)p58.97(92.03%)d4.10(6.40%)	0.000016996	1.246311346 Hartree
640	RY*(10)O29 s(84.78%)p0.05(4.26%)d0.13(10.96%)	0.000007237	1.217173804 Hartree
641	RY*(11)O29 s(6.27%)p8.33(52.21%)d6.62(41.52%)	0.000014945	2.326909371 Hartree
642	RY*(12)O29 s(0.44%)p99.99(76.71%)d51.60(22.85%)	0.000001280	3.916985820 Hartree
643	RY*(13)O29 s(99.93%)p0.00(0.04%)d0.00(0.02%)	-0.000000060	49.502079831 Hartree
644	RY*(14)O29 s(0.00%)p1.00(0.91%)d99.99(99.09%)	0.000000250	6.640906037 Hartree
645	RY*(15)O29 s(0.00%)p1.00(1.72%)d57.18(98.28%)	0.000001037	1.590954775 Hartree
646	RY*(16)O29 s(0.00%)p1.00(2.47%)d39.53(97.53%)	0.000000483	6.703502667 Hartree
647	RY*(17)O29 s(0.00%)p1.00(79.77%)d0.25(20.23%)	0.000002320	1.137314853 Hartree
648	RY*(18)O29 s(0.16%)p25.64(4.14%)d99.99(95.70%)	0.000001016	6.226464234 Hartree
649	RY*(19)O29 s(0.03%)p99.99(98.31%)d55.90(1.66%)	-0.000001219	4.977572193 Hartree
650	RY*(20)O29 s(0.02%)p36.78(0.60%)d99.99(99.39%)	0.000000095	6.745908085 Hartree
651	RY*(21)O29 s(0.00%)p1.00(98.60%)d0.01(1.40%)	0.000000107	4.946035361 Hartree
652	RY*(22)O29 s(0.05%)p31.49(1.72%)d99.99(98.23%)	0.000000869	6.867673983 Hartree
653	RY*(1)H30 s(97.43%)p0.03(2.57%)	0.001130241	1.560356692 Hartree
654	RY*(2)H30 s(0.00%)p1.00(100.00%)	0.000182042	1.929928741 Hartree
655	RY*(3)H30 s(87.15%)p0.15(12.85%)	0.000171951	1.972334760 Hartree
656	RY*(4)H30 s(2.63%)p37.05(97.37%)	0.000051164	2.594116160 Hartree
657	RY*(5)H30 s(12.83%)p6.79(87.17%)	0.000050921	2.573311831 Hartree
658	RY*(1)H31 s(98.21%)p0.02(1.79%)	0.000783343	1.242090065 Hartree
659	RY*(2)H31 s(0.00%)p1.00(100.00%)	0.000247291	1.946740717 Hartree
660	RY*(3)H31 s(99.17%)p0.01(0.83%)	0.000165992	1.836711534 Hartree
661	RY*(4)H31 s(1.09%)p90.46(98.91%)	0.000059275	2.853411844 Hartree
662	RY*(5)H31 s(1.56%)p63.02(98.44%)	0.000038162	2.616702984 Hartree
663	RY*(1)H32 s(99.53%)p0.00(0.47%)	0.001835632	0.711479784 Hartree
664	RY*(2)H32 s(66.10%)p0.51(33.90%)	0.000326287	2.215339343 Hartree
665	RY*(3)H32 s(19.35%)p4.17(80.65%)	0.000097696	2.274346860 Hartree
666	RY*(4)H32 s(5.70%)p16.53(94.30%)	0.000072065	2.142324800 Hartree
667	RY*(5)H32 s(9.34%)p9.71(90.66%)	0.000044769	2.947479149 Hartree
668	RY*(1)H33 s(99.53%)p0.00(0.47%)	0.001844965	0.711479764 Hartree
669	RY*(2)H33 s(66.10%)p0.51(33.90%)	0.000321668	2.215338434 Hartree
670	RY*(3)H33 s(19.35%)p4.17(80.65%)	0.000096053	2.274346614 Hartree
671	RY*(4)H33 s(5.70%)p16.53(94.30%)	0.000072155	2.142324575 Hartree
672	RY*(5)H33 s(9.34%)p9.71(90.66%)	0.000058276	2.947490825 Hartree
673	RY*(1)H34 s(99.29%)p0.01(0.71%)	0.001476636	1.284701261 Hartree
674	RY*(2)H34 s(84.88%)p0.18(15.12%)	0.000336014	1.709941868 Hartree
675	RY*(3)H34 s(0.00%)p1.00(100.00%)	0.000147372	2.267042816 Hartree
676	RY*(4)H34 s(7.21%)p12.87(92.79%)	0.000045847	2.406218969 Hartree
677	RY*(5)H34 s(8.66%)p10.54(91.34%)	0.000036680	2.528176166 Hartree
678	RY*(1)H35 s(99.29%)p0.01(0.71%)	0.001499939	1.284699914 Hartree
679	RY*(2)H35 s(84.88%)p0.18(15.12%)	0.000167666	1.709927775 Hartree
680	RY*(3)H35 s(0.00%)p1.00(100.00%)	0.000145009	2.267040628 Hartree
681	RY*(4)H35 s(7.21%)p12.87(92.79%)	0.000055596	2.406219462 Hartree
682	RY*(5)H35 s(8.66%)p10.54(91.34%)	0.000051601	2.528176955 Hartree
683	RY*(1)H36 s(99.53%)p0.00(0.47%)	0.001844094	0.711497551 Hartree
684	RY*(2)H36 s(66.10%)p0.51(33.90%)	0.000259101	2.215396632 Hartree
685	RY*(3)H36 s(19.35%)p4.17(80.65%)	0.000128245	2.274425885 Hartree
686	RY*(4)H36 s(5.70%)p16.53(94.30%)	0.000074726	2.142324154 Hartree
687	RY*(5)H36 s(9.34%)p9.71(90.66%)	0.000047868	2.947516999 Hartree
688	RY*(1)H37 s(99.53%)p0.00(0.47%)	0.001877101	0.711484561 Hartree
689	RY*(2)H37 s(66.10%)p0.51(33.90%)	0.000329063	2.215355120 Hartree
690	RY*(3)H37 s(19.35%)p4.17(80.65%)	0.000101026	2.274918061 Hartree
691	RY*(4)H37 s(5.70%)p16.53(94.30%)	0.000063173	2.143853685 Hartree
692	RY*(5)H37 s(9.34%)p9.71(90.66%)	0.000045015	2.947488589 Hartree
693	RY*(1)H38 s(99.91%)p0.00(0.09%)	0.001195037	1.448464526 Hartree
694	RY*(2)H38 s(0.00%)p1.00(100.00%)	0.000214817	1.948425280 Hartree
695	RY*(3)H38 s(89.53%)p0.12(10.47%)	0.000136524	1.893032257 Hartree
696	RY*(4)H38 s(0.24%)p99.99(99.76%)	0.000041690	2.653817730 Hartree
697	RY*(5)H38 s(10.36%)p8.65(89.64%)	0.000030432	2.604803882 Hartree
698	RY*(1)H39 s(98.78%)p0.01(1.22%)	0.000587435	1.277352297 Hartree
699	RY*(2)H39 s(0.00%)p1.00(100.00%)	0.000207960	1.914523563 Hartree
700	RY*(3)H39 s(93.50%)p0.07(6.50%)	0.000376410	1.987105741 Hartree
701	RY*(4)H39 s(3.90%)p24.67(96.10%)	0.000100367	2.697593527 Hartree
702	RY*(5)H39 s(3.87%)p24.86(96.13%)	-0.000087395	2.630470458 Hartree
703	RY*(1)O40 s(2.46%)p39.12(96.28%)d0.51(1.26%)	0.004305151	0.891554104 Hartree
704	RY*(2)O40 s(0.00%)p1.00(93.95%)d0.06(6.05%)	0.000860973	0.794586930 Hartree
705	RY*(3)O40 s(61.03%)p0.49(29.79%)d0.15(9.18%)	0.000680377	1.360264943 Hartree
706	RY*(4)O40 s(20.20%)p3.39(68.43%)d0.56(11.37%)	0.000677154	1.155107457 Hartree
707	RY*(5)O40 s(9.56%)p1.13(10.80%)d8.33(79.64%)	0.001118969	2.428901902 Hartree
708	RY*(6)O40 s(0.00%)p1.00(22.96%)d3.36(77.04%)	0.000111463	1.443029245 Hartree
709	RY*(7)O40 s(8.06%)p2.91(23.45%)d8.50(68.49%)	-0.000059528	1.889993393 Hartree
710	RY*(8)O40 s(5.48%)p7.67(42.04%)d9.58(52.48%)	0.000521551	2.861460790 Hartree
711	RY*(9)O40 s(1.56%)p58.97(92.03%)d4.10(6.40%)	0.001678406	1.249301862 Hartree
712	RY*(10)O40 s(84.78%)p0.05(4.26%)d0.13(10.96%)	-0.000017747	1.217772324 Hartree
713	RY*(11)O40 s(6.27%)p8.33(52.21%)d6.62(41.52%)	-0.000079429	2.328163878 Hartree
714	RY*(12)O40 s(0.44%)p99.99(76.71%)d51.60(22.85%)	0.000100287	3.918976130 Hartree
715	RY*(13)O40 s(99.93%)p0.00(0.04%)d0.00(0.02%)	0.000005025	49.502099524 Hartree
716	RY*(14)O40 s(0.00%)p1.00(0.91%)d99.99(99.09%)	0.000002695	6.640933721 Hartree
717	RY*(15)O40 s(0.00%)p1.00(1.72%)d57.18(98.28%)	0.000001179	1.591136469 Hartree
718	RY*(16)O40 s(0.00%)p1.00(2.47%)d39.53(97.53%)	0.000000529	6.703525085 Hartree
719	RY*(17)O40 s(0.00%)p1.00(79.77%)d0.25(20.23%)	0.000056048	1.137876446 Hartree
720	RY*(18)O40 s(0.16%)p25.64(4.14%)d99.99(95.70%)	0.000022806	6.226677854 Hartree
721	RY*(19)O40 s(0.03%)p99.99(98.31%)d55.90(1.66%)	-0.000010896	4.978609950 Hartree
722	RY*(20)O40 s(0.02%)p36.78(0.60%)d99.99(99.39%)	0.000015195	6.745909435 Hartree
723	RY*(21)O40 s(0.00%)p1.00(98.60%)d0.01(1.40%)	0.000022341	4.947003934 Hartree
724	RY*(22)O40 s(0.05%)p31.49(1.72%)d99.99(98.23%)	-0.000378673	6.870452857 Hartree
725	RY*(1)H41 s(98.11%)p0.02(1.89%)	0.005009467	1.050241126 Hartree
726	RY*(2)H41 s(59.02%)p0.69(40.98%)	-0.003300430	2.133455847 Hartree
727	RY*(3)H41 s(0.00%)p1.00(100.00%)	0.002456028	1.912452780 Hartree
728	RY*(4)H41 s(20.00%)p4.00(80.00%)	0.002903986	2.258006814 Hartree
729	RY*(5)H41 s(22.90%)p3.37(77.10%)	0.001488131	2.340524875 Hartree
730	RY*(1)H42 s(96.84%)p0.03(3.16%)	0.002195200	0.749930601 Hartree
731	RY*(2)H42 s(37.34%)p1.68(62.66%)	0.005122386	2.104870633 Hartree
732	RY*(3)H42 s(1.39%)p70.94(98.61%)	0.000586333	1.989173891 Hartree
733	RY*(4)H42 s(59.27%)p0.69(40.73%)	0.001120395	2.209816344 Hartree
734	RY*(5)H42 s(5.17%)p18.32(94.83%)	0.002012308	2.611439113 Hartree
735	RY*(1)H43 s(96.84%)p0.03(3.16%)	0.013729870	0.728249694 Hartree
736	RY*(2)H43 s(37.34%)p1.68(62.66%)	0.079987257	1.233223570 Hartree
737	RY*(3)H43 s(1.39%)p70.94(98.61%)	0.150497066	1.476658280 Hartree
738	RY*(4)H43 s(59.27%)p0.69(40.73%)	0.125438697	2.793694823 Hartree
739	RY*(5)H43 s(5.17%)p18.32(94.83%)	0.201027291	4.739933186 Hartree
740			********** Hartree
741			********** Hartree

Natural Bond Orbitals

Display Range		- / 741
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	BD(1)C1-C2	1, 2	1.989183806	-0.640738935 Hartree
2	BD(1)C1-H41	3, 4	1.988243565	-0.510911891 Hartree
3	BD(1)C1-H42	5, 6	1.980599049	-0.515851439 Hartree
4	BD(1)C1-H43	7, 8	1.946760725	-0.504877666 Hartree
5	BD(1)C2-C3	9, 10	1.977335805	-0.657700500 Hartree
6	BD(1)C2-O40	11, 12	1.995347999	-1.073494402 Hartree
7	BD(2)C2-O40	13, 14	1.974970218	-0.375572987 Hartree
8	BD(1)C3-C4	15, 16	1.974446365	-0.697686090 Hartree
9	BD(1)C3-C8	17, 18	1.977240351	-0.661827518 Hartree
10	BD(2)C3-C8	19, 20	1.626903226	-0.256758083 Hartree
11	BD(1)C4-C5	21, 22	1.975984230	-0.719044166 Hartree
12	BD(2)C4-C5	23, 24	1.704451601	-0.269057597 Hartree
13	BD(1)C4-H39	25, 26	1.976408824	-0.531754528 Hartree
14	BD(1)C5-C6	27, 28	1.972166107	-0.714947893 Hartree
15	BD(1)C5-H38	29, 30	1.976583590	-0.528116148 Hartree
16	BD(1)C6-C7	31, 32	1.977549862	-0.723489715 Hartree
17	BD(2)C6-C7	33, 34	1.636420743	-0.262332066 Hartree
18	BD(1)C6-O11	35, 36	1.990698060	-0.923638518 Hartree
19	BD(1)C7-C8	37, 38	1.974120458	-0.713295781 Hartree
20	BD(1)C7-H10	39, 40	1.977647210	-0.532645879 Hartree
21	BD(1)C8-H9	41, 42	1.979875253	-0.503280658 Hartree
22	BD(1)O11-C12	43, 44	1.989564281	-0.839816882 Hartree
23	BD(1)C12-C13	45, 46	1.980624798	-0.648265392 Hartree
24	BD(1)C12-H36	47, 48	1.985379638	-0.541105655 Hartree
25	BD(1)C12-H37	49, 50	1.985858238	-0.537699097 Hartree
26	BD(1)C13-C14	51, 52	1.980629382	-0.648168059 Hartree
27	BD(1)C13-H34	53, 54	1.975028007	-0.513833996 Hartree
28	BD(1)C13-H35	55, 56	1.974954933	-0.514480241 Hartree
29	BD(1)C14-O15	57, 58	1.989578155	-0.839863737 Hartree
30	BD(1)C14-H32	59, 60	1.985170670	-0.542910096 Hartree
31	BD(1)C14-H33	61, 62	1.985185252	-0.542722387 Hartree
32	BD(1)O15-C16	63, 64	1.990661920	-0.923770896 Hartree
33	BD(1)C16-C17	65, 66	1.977489107	-0.724202732 Hartree
34	BD(2)C16-C17	67, 68	1.633229119	-0.274784353 Hartree
35	BD(1)C16-C21	69, 70	1.972231287	-0.714699873 Hartree
36	BD(1)C17-C18	71, 72	1.973912051	-0.713345377 Hartree
37	BD(1)C17-H31	73, 74	1.976763139	-0.537897466 Hartree
38	BD(1)C18-C19	75, 76	1.971682429	-0.698339359 Hartree
39	BD(2)C18-C19	77, 78	1.627081354	-0.255150148 Hartree
40	BD(1)C18-H30	79, 80	1.977612538	-0.515597354 Hartree
41	BD(1)C19-C20	81, 82	1.974268960	-0.703563770 Hartree
42	BD(1)C19-C24	83, 84	1.977559956	-0.657701075 Hartree
43	BD(1)C20-C21	85, 86	1.976170719	-0.717576623 Hartree
44	BD(2)C20-C21	87, 88	1.704447543	-0.267583284 Hartree
45	BD(1)C20-H23	89, 90	1.977618953	-0.529903999 Hartree
46	BD(1)C21-H22	91, 92	1.977149965	-0.520661342 Hartree
47	BD(1)C24-C25	93, 94	1.989748666	-0.632788797 Hartree
48	BD(1)C24-O29	95, 96	1.997022997	-1.044845169 Hartree
49	BD(2)C24-O29	97, 98	1.973812416	-0.374002243 Hartree
50	BD(1)C25-H26	99, 100	1.989983096	-0.502875020 Hartree
51	BD(1)C25-H27	101, 102	1.973877358	-0.511898941 Hartree
52	BD(1)C25-H28	103, 104	1.975707363	-0.496084966 Hartree
53	CR(1)C1	105	2.009001149	-10.087099781 Hartree
54	CR(1)C2	106	1.995995318	-10.095044134 Hartree
55	CR(1)C3	107	1.998922905	-10.041179798 Hartree
56	CR(1)C4	108	1.999095868	-10.046490747 Hartree
57	CR(1)C5	109	1.999052488	-10.039705286 Hartree
58	CR(1)C6	110	1.998810630	-10.122993570 Hartree
59	CR(1)C7	111	1.999060262	-10.043548465 Hartree
60	CR(1)C8	112	1.998901766	-10.043306138 Hartree
61	CR(1)O11	113	1.999695380	-18.971447805 Hartree
62	CR(1)C12	114	1.999226767	-10.125627703 Hartree
63	CR(1)C13	115	1.999263695	-10.056021783 Hartree
64	CR(1)C14	116	1.999140968	-10.126517607 Hartree
65	CR(1)O15	117	1.999696313	-18.971438831 Hartree
66	CR(1)C16	118	1.998953501	-10.121570370 Hartree
67	CR(1)C17	119	1.999281916	-10.041360486 Hartree
68	CR(1)C18	120	1.998901876	-10.043305267 Hartree
69	CR(1)C19	121	1.998923993	-10.041164500 Hartree
70	CR(1)C20	122	1.999201897	-10.044994934 Hartree
71	CR(1)C21	123	1.999154413	-10.038289169 Hartree
72	CR(1)C24	124	1.999277294	-10.135947911 Hartree
73	CR(1)C25	125	1.999278639	-10.035133288 Hartree
74	CR(1)O29	126	1.999756406	-18.843299884 Hartree
75	CR(1)O40	127	1.999748750	-18.843275223 Hartree
76	LP(1)O11	128	1.965382423	-0.565982779 Hartree
77	LP(2)O11	129	1.835618440	-0.336271617 Hartree
78	LP(1)O15	130	1.965365417	-0.566039834 Hartree
79	LP(2)O15	131	1.835763790	-0.336584639 Hartree
80	LP(1)O29	132	1.978903681	-0.686577282 Hartree
81	LP(2)O29	133	1.893511714	-0.264375363 Hartree
82	LP(1)O40	134	1.978928326	-0.686585694 Hartree
83	LP(2)O40	135	1.893405947	-0.264420379 Hartree
84	RY*(1)C1	136	0.002312011	0.848655281 Hartree
85	RY*(2)C1	137	0.001132043	0.882346034 Hartree
86	RY*(3)C1	138	0.000571724	0.982471186 Hartree
87	RY*(4)C1	139	0.000384834	0.905347869 Hartree
88	RY*(5)C1	140	0.000618023	1.524147560 Hartree
89	RY*(6)C1	141	0.000338563	1.109278306 Hartree
90	RY*(7)C1	142	0.000224033	1.765250301 Hartree
91	RY*(8)C1	143	0.000372287	2.288170386 Hartree
92	RY*(9)C1	144	0.000232297	0.997128572 Hartree
93	RY*(10)C1	145	0.000288478	0.760805338 Hartree
94	RY*(11)C1	146	0.000790802	0.495081814 Hartree
95	RY*(12)C1	147	0.001706874	2.218784956 Hartree
96	RY*(13)C1	148	0.008402146	3.168907829 Hartree
97	RY*(14)C1	149	0.000352755	3.063480142 Hartree
98	RY*(15)C1	150	0.000103900	22.862785793 Hartree
99	RY*(16)C1	151	0.004516274	3.033921699 Hartree
100	RY*(17)C1	152	0.000127331	0.780425531 Hartree
101	RY*(18)C1	153	0.000019041	3.570485180 Hartree
102	RY*(19)C1	154	0.000195088	1.717692422 Hartree
103	RY*(20)C1	155	0.001121125	3.581620565 Hartree
104	RY*(21)C1	156	0.000451687	0.782860492 Hartree
105	RY*(22)C1	157	0.000085564	3.311465902 Hartree
106	RY*(1)C2	158	0.016044715	1.010262729 Hartree
107	RY*(2)C2	159	0.004000021	1.778049248 Hartree
108	RY*(3)C2	160	0.001880222	2.134134877 Hartree
109	RY*(4)C2	161	0.001600533	1.792888620 Hartree
110	RY*(5)C2	162	0.000861497	1.607036858 Hartree
111	RY*(6)C2	163	0.000725055	1.733488529 Hartree
112	RY*(7)C2	164	0.000638046	2.407200086 Hartree
113	RY*(8)C2	165	0.000251418	1.530107447 Hartree
114	RY*(9)C2	166	0.001607173	4.829789154 Hartree
115	RY*(10)C2	167	0.002735948	2.397826161 Hartree
116	RY*(11)C2	168	0.001476992	1.619689828 Hartree
117	RY*(12)C2	169	0.000095846	5.503544475 Hartree
118	RY*(13)C2	170	0.000093544	0.439154318 Hartree
119	RY*(14)C2	171	0.000494311	3.062930793 Hartree
120	RY*(15)C2	172	0.000157605	3.812566758 Hartree
121	RY*(16)C2	173	0.002049509	2.948729648 Hartree
122	RY*(17)C2	174	0.000060234	2.725648312 Hartree
123	RY*(18)C2	175	0.000389286	3.123730944 Hartree
124	RY*(19)C2	176	0.000074768	12.703354401 Hartree
125	RY*(20)C2	177	0.002668213	3.599410288 Hartree
126	RY*(21)C2	178	0.000231212	2.488368993 Hartree
127	RY*(22)C2	179	0.005046903	2.948302506 Hartree
128	RY*(1)C3	180	0.007204255	1.379758467 Hartree
129	RY*(2)C3	181	0.004900479	1.247380444 Hartree
130	RY*(3)C3	182	0.001157407	1.319361405 Hartree
131	RY*(4)C3	183	0.001122196	0.675367712 Hartree
132	RY*(5)C3	184	0.000680602	2.132664900 Hartree
133	RY*(6)C3	185	0.000646738	2.802209416 Hartree
134	RY*(7)C3	186	0.000412061	2.835363618 Hartree
135	RY*(8)C3	187	0.000383390	2.269718295 Hartree
136	RY*(9)C3	188	0.000292137	1.877874217 Hartree
137	RY*(10)C3	189	0.000408301	2.221176466 Hartree
138	RY*(11)C3	190	0.000156807	2.163633219 Hartree
139	RY*(12)C3	191	0.000085701	1.475653821 Hartree
140	RY*(13)C3	192	0.000060805	3.265963661 Hartree
141	RY*(14)C3	193	0.000070427	2.782922664 Hartree
142	RY*(15)C3	194	0.000057664	3.369524691 Hartree
143	RY*(16)C3	195	0.000269334	2.582943216 Hartree
144	RY*(17)C3	196	0.000087443	0.446283437 Hartree
145	RY*(18)C3	197	0.000004851	2.807568162 Hartree
146	RY*(19)C3	198	0.000000484	2.556853067 Hartree
147	RY*(20)C3	199	0.000167750	3.537872721 Hartree
148	RY*(21)C3	200	0.000021567	18.833038541 Hartree
149	RY*(22)C3	201	0.000115587	1.943699962 Hartree
150	RY*(1)C4	202	0.005331880	1.322781710 Hartree
151	RY*(2)C4	203	0.001792593	1.485260636 Hartree
152	RY*(3)C4	204	0.001060880	0.548885919 Hartree
153	RY*(4)C4	205	0.000741160	2.119810196 Hartree
154	RY*(5)C4	206	0.000581749	2.184567119 Hartree
155	RY*(6)C4	207	0.000387610	2.243103675 Hartree
156	RY*(7)C4	208	0.000228309	1.680033254 Hartree
157	RY*(8)C4	209	0.000178649	1.781728117 Hartree
158	RY*(9)C4	210	0.000256122	3.106165379 Hartree
159	RY*(10)C4	211	0.000160539	1.116593407 Hartree
160	RY*(11)C4	212	0.000136758	2.125822907 Hartree
161	RY*(12)C4	213	0.000184197	3.294160994 Hartree
162	RY*(13)C4	214	0.000091398	1.777636274 Hartree
163	RY*(14)C4	215	0.000167367	2.973973717 Hartree
164	RY*(15)C4	216	0.000236229	0.756873808 Hartree
165	RY*(16)C4	217	0.000038594	2.945909646 Hartree
166	RY*(17)C4	218	0.000283898	2.217405784 Hartree
167	RY*(18)C4	219	0.000134364	1.814652926 Hartree
168	RY*(19)C4	220	0.000013079	18.302565911 Hartree
169	RY*(20)C4	221	0.000016114	3.487546972 Hartree
170	RY*(21)C4	222	0.000005585	2.790058178 Hartree
171	RY*(22)C4	223	0.000007702	3.226583464 Hartree
172	RY*(1)C5	224	0.006085664	1.317521377 Hartree
173	RY*(2)C5	225	0.002843545	1.144406215 Hartree
174	RY*(3)C5	226	0.001008188	1.990956942 Hartree
175	RY*(4)C5	227	0.000935511	0.467864027 Hartree
176	RY*(5)C5	228	0.000366919	2.590359664 Hartree
177	RY*(6)C5	229	0.000354402	2.329542919 Hartree
178	RY*(7)C5	230	0.000233797	0.981685441 Hartree
179	RY*(8)C5	231	0.000183785	2.205141839 Hartree
180	RY*(9)C5	232	0.000136388	1.943211637 Hartree
181	RY*(10)C5	233	0.000151848	2.278940115 Hartree
182	RY*(11)C5	234	0.000058626	3.373883395 Hartree
183	RY*(12)C5	235	0.000040915	1.806953950 Hartree
184	RY*(13)C5	236	0.000015659	1.729556406 Hartree
185	RY*(14)C5	237	0.000021180	2.610621822 Hartree
186	RY*(15)C5	238	0.000055618	0.887842750 Hartree
187	RY*(16)C5	239	0.000046349	2.538780651 Hartree
188	RY*(17)C5	240	0.000037676	2.576139585 Hartree
189	RY*(18)C5	241	0.000015991	19.130669846 Hartree
190	RY*(19)C5	242	0.000024752	1.770969570 Hartree
191	RY*(20)C5	243	0.000002555	3.415419052 Hartree
192	RY*(21)C5	244	0.000001583	3.266184270 Hartree
193	RY*(22)C5	245	0.000011587	2.456350834 Hartree
194	RY*(1)C6	246	0.006807506	1.308390305 Hartree
195	RY*(2)C6	247	0.003739723	1.642224395 Hartree
196	RY*(3)C6	248	0.001580472	1.930833634 Hartree
197	RY*(4)C6	249	0.001429710	1.865744320 Hartree
198	RY*(5)C6	250	0.000815821	2.279740704 Hartree
199	RY*(6)C6	251	0.000635040	3.218443397 Hartree
200	RY*(7)C6	252	0.000769468	2.724540587 Hartree
201	RY*(8)C6	253	0.000407307	2.042488021 Hartree
202	RY*(9)C6	254	0.000340329	0.794012214 Hartree
203	RY*(10)C6	255	0.000193314	1.249823196 Hartree
204	RY*(11)C6	256	0.000146888	2.557239656 Hartree
205	RY*(12)C6	257	0.000149960	3.705854018 Hartree
206	RY*(13)C6	258	0.000113163	2.493609209 Hartree
207	RY*(14)C6	259	0.000050761	2.788190228 Hartree
208	RY*(15)C6	260	0.000072891	4.154391167 Hartree
209	RY*(16)C6	261	0.000022083	4.640734387 Hartree
210	RY*(17)C6	262	0.000052707	3.535184977 Hartree
211	RY*(18)C6	263	0.000028831	6.807417110 Hartree
212	RY*(19)C6	264	0.000005943	8.513341559 Hartree
213	RY*(20)C6	265	0.000003991	1.635978975 Hartree
214	RY*(21)C6	266	0.000009205	2.820191664 Hartree
215	RY*(22)C6	267	0.000014570	1.762148785 Hartree
216	RY*(1)C7	268	0.005145264	1.244254883 Hartree
217	RY*(2)C7	269	0.001469797	0.374632429 Hartree
218	RY*(3)C7	270	0.001411924	1.550507728 Hartree
219	RY*(4)C7	271	0.000904691	1.794688073 Hartree
220	RY*(5)C7	272	0.000425143	2.073871056 Hartree
221	RY*(6)C7	273	0.000269099	2.114175096 Hartree
222	RY*(7)C7	274	0.000274309	0.950432548 Hartree
223	RY*(8)C7	275	0.000189714	0.731896940 Hartree
224	RY*(9)C7	276	0.000138057	1.989588329 Hartree
225	RY*(10)C7	277	0.000093743	2.775849818 Hartree
226	RY*(11)C7	278	0.000069872	5.456403977 Hartree
227	RY*(12)C7	279	0.000054183	1.071386791 Hartree
228	RY*(13)C7	280	0.000053963	3.699698895 Hartree
229	RY*(14)C7	281	0.000040604	1.931359502 Hartree
230	RY*(15)C7	282	0.000053313	1.679264637 Hartree
231	RY*(16)C7	283	0.000023878	2.696614192 Hartree
232	RY*(17)C7	284	0.000003346	18.153241996 Hartree
233	RY*(18)C7	285	0.000002754	2.688708615 Hartree
234	RY*(19)C7	286	0.000004608	2.680514165 Hartree
235	RY*(20)C7	287	0.000005892	3.366263152 Hartree
236	RY*(21)C7	288	0.000023497	1.768662484 Hartree
237	RY*(22)C7	289	0.000007337	2.838909217 Hartree
238	RY*(1)C8	290	0.006717326	1.234935164 Hartree
239	RY*(2)C8	291	0.003300987	1.054715137 Hartree
240	RY*(3)C8	292	0.000856721	0.888946796 Hartree
241	RY*(4)C8	293	0.000652012	1.995545574 Hartree
242	RY*(5)C8	294	0.000481480	1.836506181 Hartree
243	RY*(6)C8	295	0.000439661	2.475148966 Hartree
244	RY*(7)C8	296	0.000325824	2.204128555 Hartree
245	RY*(8)C8	297	0.000259544	1.157717655 Hartree
246	RY*(9)C8	298	0.000259451	2.084289412 Hartree
247	RY*(10)C8	299	0.000151789	0.911832828 Hartree
248	RY*(11)C8	300	0.000078421	4.559688307 Hartree
249	RY*(12)C8	301	0.000063632	2.875285850 Hartree
250	RY*(13)C8	302	0.000010439	18.826629893 Hartree
251	RY*(14)C8	303	0.000012892	0.856359454 Hartree
252	RY*(15)C8	304	0.000104974	2.739767369 Hartree
253	RY*(16)C8	305	0.000022954	1.209086819 Hartree
254	RY*(17)C8	306	0.000017256	2.048667908 Hartree
255	RY*(18)C8	307	0.000001367	3.249572151 Hartree
256	RY*(19)C8	308	0.000006741	3.537157866 Hartree
257	RY*(20)C8	309	0.000015955	2.837781396 Hartree
258	RY*(21)C8	310	0.000037295	3.410101222 Hartree
259	RY*(1)H9	311	0.001128131	1.560471048 Hartree
260	RY*(2)H9	312	0.000182680	1.929932901 Hartree
261	RY*(3)H9	313	0.000173807	1.972362742 Hartree
262	RY*(4)H9	314	0.000054829	2.594222145 Hartree
263	RY*(5)H9	315	0.000074767	2.573560973 Hartree
264	RY*(1)H10	316	0.000779397	1.242099823 Hartree
265	RY*(2)H10	317	0.000247764	1.946739974 Hartree
266	RY*(3)H10	318	0.000202113	1.837286678 Hartree
267	RY*(4)H10	319	0.000058705	2.853384623 Hartree
268	RY*(5)H10	320	0.000038145	2.616699381 Hartree
269	RY*(1)O11	321	0.005877453	0.707981786 Hartree
270	RY*(2)O11	322	0.003630660	0.812180187 Hartree
271	RY*(3)O11	323	0.002016521	1.075946654 Hartree
272	RY*(4)O11	324	0.001028928	1.455388005 Hartree
273	RY*(5)O11	325	0.000592228	1.327218016 Hartree
274	RY*(6)O11	326	0.000333146	0.706902395 Hartree
275	RY*(7)O11	327	0.000280218	1.987391851 Hartree
276	RY*(8)O11	328	0.000130519	4.010167412 Hartree
277	RY*(9)O11	329	0.000070396	1.906067647 Hartree
278	RY*(10)O11	330	0.000047349	2.736839217 Hartree
279	RY*(11)O11	331	0.000052378	3.518641020 Hartree
280	RY*(12)O11	332	0.000027634	4.209403921 Hartree
281	RY*(13)O11	333	0.000023887	3.729986415 Hartree
282	RY*(14)O11	334	0.000027421	3.462545782 Hartree
283	RY*(15)O11	335	0.000003950	2.916574565 Hartree
284	RY*(16)O11	336	0.000000667	6.780214133 Hartree
285	RY*(17)O11	337	0.000009371	4.915277422 Hartree
286	RY*(18)O11	338	0.000004416	6.740289950 Hartree
287	RY*(19)O11	339	0.000005178	2.215030138 Hartree
288	RY*(20)O11	340	0.000000496	6.723869938 Hartree
289	RY*(21)O11	341	0.000000314	48.954533842 Hartree
290	RY*(22)O11	342	0.000001215	6.108056843 Hartree
291	RY*(1)C12	343	0.002768459	1.130567102 Hartree
292	RY*(2)C12	344	0.002246748	1.071242444 Hartree
293	RY*(3)C12	345	0.001789189	1.198453429 Hartree
294	RY*(4)C12	346	0.001492914	1.339347279 Hartree
295	RY*(5)C12	347	0.001281853	0.968703615 Hartree
296	RY*(6)C12	348	0.000374270	1.706938179 Hartree
297	RY*(7)C12	349	0.000283122	1.683357081 Hartree
298	RY*(8)C12	350	0.000181614	1.318199519 Hartree
299	RY*(9)C12	351	0.000187707	2.149358609 Hartree
300	RY*(10)C12	352	0.000136609	1.441654065 Hartree
301	RY*(11)C12	353	0.000110751	1.655293539 Hartree
302	RY*(12)C12	354	0.000069119	1.775291886 Hartree
303	RY*(13)C12	355	0.000042871	2.489603879 Hartree
304	RY*(14)C12	356	0.000032060	3.486648268 Hartree
305	RY*(15)C12	357	0.000032865	3.342672394 Hartree
306	RY*(16)C12	358	0.000002089	2.007134732 Hartree
307	RY*(17)C12	359	0.000080175	1.697123216 Hartree
308	RY*(18)C12	360	0.000008687	3.187509927 Hartree
309	RY*(19)C12	361	0.000001773	21.215841411 Hartree
310	RY*(20)C12	362	0.000006576	2.984586678 Hartree
311	RY*(21)C12	363	0.000004172	2.426539276 Hartree
312	RY*(22)C12	364	0.000003379	3.032752449 Hartree
313	RY*(1)C13	365	0.003371889	0.874782965 Hartree
314	RY*(2)C13	366	0.002973003	0.968928521 Hartree
315	RY*(3)C13	367	0.001931221	0.900905543 Hartree
316	RY*(4)C13	368	0.000428684	1.410840051 Hartree
317	RY*(5)C13	369	0.000258842	1.568083377 Hartree
318	RY*(6)C13	370	0.000254607	2.186406920 Hartree
319	RY*(7)C13	371	0.000225392	2.797755066 Hartree
320	RY*(8)C13	372	0.000100153	2.988123069 Hartree
321	RY*(9)C13	373	0.000056976	1.480600314 Hartree
322	RY*(10)C13	374	0.000064207	1.290870023 Hartree
323	RY*(11)C13	375	0.000032121	1.669195051 Hartree
324	RY*(12)C13	376	0.000036481	1.544828182 Hartree
325	RY*(13)C13	377	0.000027882	3.601280792 Hartree
326	RY*(14)C13	378	0.000023786	1.072797446 Hartree
327	RY*(15)C13	379	0.000001278	22.066290962 Hartree
328	RY*(16)C13	380	0.000006637	1.083677768 Hartree
329	RY*(17)C13	381	0.000006704	2.177528708 Hartree
330	RY*(18)C13	382	0.000000242	2.132583736 Hartree
331	RY*(19)C13	383	0.000009476	2.316244679 Hartree
332	RY*(20)C13	384	0.000010552	3.484796035 Hartree
333	RY*(21)C13	385	0.000007952	1.686943834 Hartree
334	RY*(22)C13	386	0.000000148	3.163692673 Hartree
335	RY*(1)C14	387	0.002768594	1.130563674 Hartree
336	RY*(2)C14	388	0.002246882	1.071242754 Hartree
337	RY*(3)C14	389	0.001789102	1.198447243 Hartree
338	RY*(4)C14	390	0.001488079	1.339333472 Hartree
339	RY*(5)C14	391	0.001280594	0.968703873 Hartree
340	RY*(6)C14	392	0.000375995	1.706943398 Hartree
341	RY*(7)C14	393	0.000281972	1.683321937 Hartree
342	RY*(8)C14	394	0.000177401	1.318159744 Hartree
343	RY*(9)C14	395	0.000183420	2.149358616 Hartree
344	RY*(10)C14	396	0.000134460	1.441653504 Hartree
345	RY*(11)C14	397	0.000104365	1.655178511 Hartree
346	RY*(12)C14	398	0.000065792	1.775261920 Hartree
347	RY*(13)C14	399	0.000042382	2.489604240 Hartree
348	RY*(14)C14	400	0.000030751	3.486634880 Hartree
349	RY*(15)C14	401	0.000030163	3.342660634 Hartree
350	RY*(16)C14	402	0.000002083	2.007134814 Hartree
351	RY*(17)C14	403	0.000007238	1.696612491 Hartree
352	RY*(18)C14	404	0.000007332	3.187493899 Hartree
353	RY*(19)C14	405	0.000000253	21.215822004 Hartree
354	RY*(20)C14	406	0.000004044	2.984553288 Hartree
355	RY*(21)C14	407	0.000002617	2.426514471 Hartree
356	RY*(22)C14	408	0.000001858	3.032742155 Hartree
357	RY*(1)O15	409	0.005877541	0.707982185 Hartree
358	RY*(2)O15	410	0.003613164	0.812063147 Hartree
359	RY*(3)O15	411	0.002016831	1.075930106 Hartree
360	RY*(4)O15	412	0.001028910	1.455388099 Hartree
361	RY*(5)O15	413	0.000592987	1.327214470 Hartree
362	RY*(6)O15	414	0.000333155	0.706902301 Hartree
363	RY*(7)O15	415	0.000280310	1.987389358 Hartree
364	RY*(8)O15	416	0.000130498	4.010167397 Hartree
365	RY*(9)O15	417	0.000070386	1.906068175 Hartree
366	RY*(10)O15	418	0.000047966	2.736846387 Hartree
367	RY*(11)O15	419	0.000052096	3.518631079 Hartree
368	RY*(12)O15	420	0.000026464	4.209392252 Hartree
369	RY*(13)O15	421	0.000022764	3.729981172 Hartree
370	RY*(14)O15	422	0.000027588	3.462547494 Hartree
371	RY*(15)O15	423	0.000003965	2.916574591 Hartree
372	RY*(16)O15	424	0.000000147	6.780207346 Hartree
373	RY*(17)O15	425	0.000001125	4.915176439 Hartree
374	RY*(18)O15	426	0.000005297	6.740322869 Hartree
375	RY*(19)O15	427	0.000003735	2.215019757 Hartree
376	RY*(20)O15	428	0.000000491	6.723870005 Hartree
377	RY*(21)O15	429	0.000000137	48.954531548 Hartree
378	RY*(22)O15	430	0.000001325	6.108057907 Hartree
379	RY*(1)C16	431	0.006806381	1.308379715 Hartree
380	RY*(2)C16	432	0.003739412	1.642223151 Hartree
381	RY*(3)C16	433	0.001557873	1.930670815 Hartree
382	RY*(4)C16	434	0.001430474	1.865606006 Hartree
383	RY*(5)C16	435	0.000802696	2.279743583 Hartree
384	RY*(6)C16	436	0.000632517	3.218467220 Hartree
385	RY*(7)C16	437	0.000525607	2.722662980 Hartree
386	RY*(8)C16	438	0.000398820	2.042495891 Hartree
387	RY*(9)C16	439	0.000340644	0.794013223 Hartree
388	RY*(10)C16	440	0.000175869	1.249775481 Hartree
389	RY*(11)C16	441	0.000130649	2.557109222 Hartree
390	RY*(12)C16	442	0.000113675	3.705542281 Hartree
391	RY*(13)C16	443	0.000057257	2.493622854 Hartree
392	RY*(14)C16	444	0.000023247	2.788484455 Hartree
393	RY*(15)C16	445	0.000015223	4.154125092 Hartree
394	RY*(16)C16	446	0.000023103	4.640757979 Hartree
395	RY*(17)C16	447	0.000020740	3.535005384 Hartree
396	RY*(18)C16	448	0.000022388	6.807360323 Hartree
397	RY*(19)C16	449	0.000002495	8.513337613 Hartree
398	RY*(20)C16	450	0.000001055	1.635942414 Hartree
399	RY*(21)C16	451	0.000008607	2.820182791 Hartree
400	RY*(22)C16	452	0.000001483	1.762049846 Hartree
401	RY*(1)C17	453	0.005146603	1.244264721 Hartree
402	RY*(2)C17	454	0.001466859	0.374619758 Hartree
403	RY*(3)C17	455	0.001384713	1.550244427 Hartree
404	RY*(4)C17	456	0.000903748	1.794661084 Hartree
405	RY*(5)C17	457	0.000419532	2.073870506 Hartree
406	RY*(6)C17	458	0.000268988	2.114111587 Hartree
407	RY*(7)C17	459	0.000271211	0.950428174 Hartree
408	RY*(8)C17	460	0.000179848	0.731892501 Hartree
409	RY*(9)C17	461	0.000133400	1.989576708 Hartree
410	RY*(10)C17	462	0.000097501	2.775880904 Hartree
411	RY*(11)C17	463	0.000071572	5.456413973 Hartree
412	RY*(12)C17	464	0.000045648	1.071419481 Hartree
413	RY*(13)C17	465	0.000052697	3.699640920 Hartree
414	RY*(14)C17	466	0.000028943	1.931292919 Hartree
415	RY*(15)C17	467	0.000023893	1.679070100 Hartree
416	RY*(16)C17	468	0.000021190	2.696447213 Hartree
417	RY*(17)C17	469	0.000003249	18.153242330 Hartree
418	RY*(18)C17	470	0.000001545	2.688705128 Hartree
419	RY*(19)C17	471	0.000002985	2.680513779 Hartree
420	RY*(20)C17	472	0.000003267	3.366246807 Hartree
421	RY*(21)C17	473	0.000006597	1.768623789 Hartree
422	RY*(22)C17	474	0.000007180	2.838909475 Hartree
423	RY*(1)C18	475	0.006705927	1.234939235 Hartree
424	RY*(2)C18	476	0.003266798	1.054720634 Hartree
425	RY*(3)C18	477	0.000846712	0.888963663 Hartree
426	RY*(4)C18	478	0.000560599	1.994953097 Hartree
427	RY*(5)C18	479	0.000488735	1.836433642 Hartree
428	RY*(6)C18	480	0.000437993	2.475139069 Hartree
429	RY*(7)C18	481	0.000320768	2.204149836 Hartree
430	RY*(8)C18	482	0.000236998	1.157618277 Hartree
431	RY*(9)C18	483	0.000140260	2.083566287 Hartree
432	RY*(10)C18	484	0.000142606	0.911794277 Hartree
433	RY*(11)C18	485	0.000075476	4.559565549 Hartree
434	RY*(12)C18	486	0.000052778	2.875174847 Hartree
435	RY*(13)C18	487	0.000009983	18.826591389 Hartree
436	RY*(14)C18	488	0.000014388	0.856360742 Hartree
437	RY*(15)C18	489	0.000013481	2.738913411 Hartree
438	RY*(16)C18	490	0.000017366	1.209121707 Hartree
439	RY*(17)C18	491	0.000013365	2.048565000 Hartree
440	RY*(18)C18	492	0.000000370	3.249547925 Hartree
441	RY*(19)C18	493	0.000004874	3.537120832 Hartree
442	RY*(20)C18	494	0.000006239	2.837657909 Hartree
443	RY*(21)C18	495	0.000007981	3.409769104 Hartree
444	RY*(1)C19	496	0.007194099	1.379709583 Hartree
445	RY*(2)C19	497	0.004988156	1.247549846 Hartree
446	RY*(3)C19	498	0.001163983	1.319270864 Hartree
447	RY*(4)C19	499	0.001117334	0.675361488 Hartree
448	RY*(5)C19	500	0.000674805	2.132461789 Hartree
449	RY*(6)C19	501	0.000498232	2.801140231 Hartree
450	RY*(7)C19	502	0.000402336	2.835395428 Hartree
451	RY*(8)C19	503	0.000274075	2.267478574 Hartree
452	RY*(9)C19	504	0.000267073	1.877322717 Hartree
453	RY*(10)C19	505	0.000176701	2.221343886 Hartree
454	RY*(11)C19	506	0.000118974	2.163355471 Hartree
455	RY*(12)C19	507	0.000058450	1.476124594 Hartree
456	RY*(13)C19	508	0.000062239	3.265973715 Hartree
457	RY*(14)C19	509	0.000063659	2.782535387 Hartree
458	RY*(15)C19	510	0.000038207	3.369527241 Hartree
459	RY*(16)C19	511	0.000018746	2.579390505 Hartree
460	RY*(17)C19	512	0.000004170	0.445644447 Hartree
461	RY*(18)C19	513	0.000000165	2.807305126 Hartree
462	RY*(19)C19	514	0.000000250	2.556909516 Hartree
463	RY*(20)C19	515	0.000002307	3.536682353 Hartree
464	RY*(21)C19	516	0.000003754	18.833053922 Hartree
465	RY*(22)C19	517	0.000008986	1.943107462 Hartree
466	RY*(1)C20	518	0.005330566	1.322760729 Hartree
467	RY*(2)C20	519	0.001696585	1.485826074 Hartree
468	RY*(3)C20	520	0.000840327	0.548679590 Hartree
469	RY*(4)C20	521	0.000724853	2.119968988 Hartree
470	RY*(5)C20	522	0.000575480	2.184579894 Hartree
471	RY*(6)C20	523	0.000382329	2.243353048 Hartree
472	RY*(7)C20	524	0.000250001	1.680915329 Hartree
473	RY*(8)C20	525	0.000153956	1.781953471 Hartree
474	RY*(9)C20	526	0.000153145	3.104731846 Hartree
475	RY*(10)C20	527	0.000132163	1.116527632 Hartree
476	RY*(11)C20	528	0.000083281	2.125964938 Hartree
477	RY*(12)C20	529	0.000043856	3.293227721 Hartree
478	RY*(13)C20	530	0.000047860	1.777288039 Hartree
479	RY*(14)C20	531	0.000025537	2.970237384 Hartree
480	RY*(15)C20	532	0.000032636	0.756433264 Hartree
481	RY*(16)C20	533	0.000012384	2.945404641 Hartree
482	RY*(17)C20	534	0.000009865	2.214791077 Hartree
483	RY*(18)C20	535	0.000016164	1.813487020 Hartree
484	RY*(19)C20	536	0.000003888	18.302524596 Hartree
485	RY*(20)C20	537	0.000003284	3.487183996 Hartree
486	RY*(21)C20	538	0.000000626	2.789958352 Hartree
487	RY*(22)C20	539	0.000000020	3.226494625 Hartree
488	RY*(1)C21	540	0.006085978	1.317520493 Hartree
489	RY*(2)C21	541	0.002845128	1.144445154 Hartree
490	RY*(3)C21	542	0.001000883	1.990272353 Hartree
491	RY*(4)C21	543	0.000932637	0.467910223 Hartree
492	RY*(5)C21	544	0.000365736	2.590350738 Hartree
493	RY*(6)C21	545	0.000351523	2.329465457 Hartree
494	RY*(7)C21	546	0.000162169	0.981300979 Hartree
495	RY*(8)C21	547	0.000161269	2.205046766 Hartree
496	RY*(9)C21	548	0.000125615	1.943069054 Hartree
497	RY*(10)C21	549	0.000092053	2.279593191 Hartree
498	RY*(11)C21	550	0.000046102	3.373719198 Hartree
499	RY*(12)C21	551	0.000033098	1.806991697 Hartree
500	RY*(13)C21	552	0.000010326	1.729581813 Hartree
501	RY*(14)C21	553	0.000017088	2.610936254 Hartree
502	RY*(15)C21	554	0.000019878	0.888063633 Hartree
503	RY*(16)C21	555	0.000015412	2.538225268 Hartree
504	RY*(17)C21	556	0.000015324	2.575516901 Hartree
505	RY*(18)C21	557	0.000001901	19.130476591 Hartree
506	RY*(19)C21	558	0.000007402	1.771106403 Hartree
507	RY*(20)C21	559	0.000002097	3.415408507 Hartree
508	RY*(21)C21	560	0.000001881	3.266184604 Hartree
509	RY*(22)C21	561	0.000003760	2.456163846 Hartree
510	RY*(1)H22	562	0.000860176	1.448007893 Hartree
511	RY*(2)H22	563	0.000215235	1.947760191 Hartree
512	RY*(3)H22	564	0.000127803	1.892855781 Hartree
513	RY*(4)H22	565	0.000039205	2.653850368 Hartree
514	RY*(5)H22	566	0.000048874	2.604322698 Hartree
515	RY*(1)H23	567	0.000559103	1.278769992 Hartree
516	RY*(2)H23	568	0.000206811	1.914497567 Hartree
517	RY*(3)H23	569	0.000169759	1.985788287 Hartree
518	RY*(4)H23	570	0.000064450	2.697667127 Hartree
519	RY*(5)H23	571	0.000036948	2.626245521 Hartree
520	RY*(1)C24	572	0.015937494	1.010120848 Hartree
521	RY*(2)C24	573	0.003989505	1.777973769 Hartree
522	RY*(3)C24	574	0.001932012	2.133031011 Hartree
523	RY*(4)C24	575	0.001419788	1.777983200 Hartree
524	RY*(5)C24	576	0.000725307	1.606321599 Hartree
525	RY*(6)C24	577	0.000675858	1.735740567 Hartree
526	RY*(7)C24	578	0.000328118	2.408645203 Hartree
527	RY*(8)C24	579	0.000214817	1.529370996 Hartree
528	RY*(9)C24	580	0.000128978	4.811917772 Hartree
529	RY*(10)C24	581	0.000055314	2.373569823 Hartree
530	RY*(11)C24	582	0.000064895	1.594628154 Hartree
531	RY*(12)C24	583	0.000026450	5.502179568 Hartree
532	RY*(13)C24	584	0.000000875	0.437553976 Hartree
533	RY*(14)C24	585	0.000000116	3.057260298 Hartree
534	RY*(15)C24	586	0.000005842	3.813284816 Hartree
535	RY*(16)C24	587	0.000001082	2.903356283 Hartree
536	RY*(17)C24	588	0.000000352	2.725571336 Hartree
537	RY*(18)C24	589	0.000007850	3.121125454 Hartree
538	RY*(19)C24	590	0.000001623	12.702914744 Hartree
539	RY*(20)C24	591	0.000004205	3.579780293 Hartree
540	RY*(21)C24	592	0.000004300	2.487831800 Hartree
541	RY*(22)C24	593	0.000009713	2.892192999 Hartree
542	RY*(1)C25	594	0.002310460	0.846572824 Hartree
543	RY*(2)C25	595	0.001112619	0.884574896 Hartree
544	RY*(3)C25	596	0.000567722	0.982947105 Hartree
545	RY*(4)C25	597	0.000351013	0.907967524 Hartree
546	RY*(5)C25	598	0.000179478	1.493028065 Hartree
547	RY*(6)C25	599	0.000187747	1.101414157 Hartree
548	RY*(7)C25	600	0.000142863	1.760342848 Hartree
549	RY*(8)C25	601	0.000064319	2.288559884 Hartree
550	RY*(9)C25	602	0.000022736	0.986074809 Hartree
551	RY*(10)C25	603	0.000028812	0.739650538 Hartree
552	RY*(11)C25	604	0.000000569	0.494604276 Hartree
553	RY*(12)C25	605	0.000005406	2.172088616 Hartree
554	RY*(13)C25	606	0.000000097	2.984746138 Hartree
555	RY*(14)C25	607	0.000000021	3.049343678 Hartree
556	RY*(15)C25	608	0.000000154	22.863306196 Hartree
557	RY*(16)C25	609	0.000000149	2.991834917 Hartree
558	RY*(17)C25	610	0.000008614	0.771262809 Hartree
559	RY*(18)C25	611	0.000001250	3.567681772 Hartree
560	RY*(19)C25	612	0.000003623	1.721964581 Hartree
561	RY*(20)C25	613	0.000002923	3.583984423 Hartree
562	RY*(21)C25	614	0.000005358	0.790421500 Hartree
563	RY*(22)C25	615	0.000002049	3.309338666 Hartree
564	RY*(1)H26	616	0.001453331	0.982965936 Hartree
565	RY*(2)H26	617	0.000122091	2.105822514 Hartree
566	RY*(3)H26	618	0.000114315	1.896517783 Hartree
567	RY*(4)H26	619	0.000090551	2.226274601 Hartree
568	RY*(5)H26	620	0.000028768	2.335766827 Hartree
569	RY*(1)H27	621	0.000903206	0.747741985 Hartree
570	RY*(2)H27	622	0.000126866	2.009929355 Hartree
571	RY*(3)H27	623	0.000123344	1.989006316 Hartree
572	RY*(4)H27	624	0.000066185	2.209582068 Hartree
573	RY*(5)H27	625	0.000029617	2.602388339 Hartree
574	RY*(1)H28	626	0.000903209	0.747742009 Hartree
575	RY*(2)H28	627	0.000126864	2.009929325 Hartree
576	RY*(3)H28	628	0.000123344	1.989006315 Hartree
577	RY*(4)H28	629	0.000066185	2.209582069 Hartree
578	RY*(5)H28	630	0.000029618	2.602388354 Hartree
579	RY*(1)O29	631	0.004723163	0.891490808 Hartree
580	RY*(2)O29	632	0.000865041	0.794509218 Hartree
581	RY*(3)O29	633	0.000546687	1.360964288 Hartree
582	RY*(4)O29	634	0.000235129	1.154338294 Hartree
583	RY*(5)O29	635	0.000137783	2.427524389 Hartree
584	RY*(6)O29	636	0.000097374	1.442658743 Hartree
585	RY*(7)O29	637	0.000083380	1.889524020 Hartree
586	RY*(8)O29	638	0.000033674	2.860146430 Hartree
587	RY*(9)O29	639	0.000016695	1.246311339 Hartree
588	RY*(10)O29	640	0.000006739	1.217173801 Hartree
589	RY*(11)O29	641	0.000014916	2.326909371 Hartree
590	RY*(12)O29	642	0.000001581	3.916985705 Hartree
591	RY*(13)O29	643	0.000000032	49.502079529 Hartree
592	RY*(14)O29	644	0.000000250	6.640906034 Hartree
593	RY*(15)O29	645	0.000001037	1.590954771 Hartree
594	RY*(16)O29	646	0.000000483	6.703502666 Hartree
595	RY*(17)O29	647	0.000002318	1.137314852 Hartree
596	RY*(18)O29	648	0.000000370	6.226463748 Hartree
597	RY*(19)O29	649	0.000000939	4.977571737 Hartree
598	RY*(20)O29	650	0.000000111	6.745908061 Hartree
599	RY*(21)O29	651	0.000000106	4.946035221 Hartree
600	RY*(22)O29	652	0.000000634	6.867673939 Hartree
601	RY*(1)H30	653	0.001130738	1.560356696 Hartree
602	RY*(2)H30	654	0.000182034	1.929928190 Hartree
603	RY*(3)H30	655	0.000155712	1.972334173 Hartree
604	RY*(4)H30	656	0.000051165	2.594116167 Hartree
605	RY*(5)H30	657	0.000050454	2.573311713 Hartree
606	RY*(1)H31	658	0.000783061	1.242090061 Hartree
607	RY*(2)H31	659	0.000247289	1.946740663 Hartree
608	RY*(3)H31	660	0.000156353	1.836707470 Hartree
609	RY*(4)H31	661	0.000058225	2.853389151 Hartree
610	RY*(5)H31	662	0.000037047	2.616702539 Hartree
611	RY*(1)H32	663	0.001839415	0.711479720 Hartree
612	RY*(2)H32	664	0.000324023	2.215338430 Hartree
613	RY*(3)H32	665	0.000097855	2.274346869 Hartree
614	RY*(4)H32	666	0.000071655	2.142324422 Hartree
615	RY*(5)H32	667	0.000046640	2.947478360 Hartree
616	RY*(1)H33	668	0.001839343	0.711479410 Hartree
617	RY*(2)H33	669	0.000324002	2.215338277 Hartree
618	RY*(3)H33	670	0.000097885	2.274346712 Hartree
619	RY*(4)H33	671	0.000071660	2.142324441 Hartree
620	RY*(5)H33	672	0.000046635	2.947478393 Hartree
621	RY*(1)H34	673	0.001419552	1.284682356 Hartree
622	RY*(2)H34	674	0.000354227	1.709943440 Hartree
623	RY*(3)H34	675	0.000147494	2.267040728 Hartree
624	RY*(4)H34	676	0.000052242	2.406219496 Hartree
625	RY*(5)H34	677	0.000039375	2.528176694 Hartree
626	RY*(1)H35	678	0.001419023	1.284679454 Hartree
627	RY*(2)H35	679	0.000352734	1.709929630 Hartree
628	RY*(3)H35	680	0.000147464	2.267040110 Hartree
629	RY*(4)H35	681	0.000052211	2.406218681 Hartree
630	RY*(5)H35	682	0.000039093	2.528175797 Hartree
631	RY*(1)H36	683	0.001839233	0.711500411 Hartree
632	RY*(2)H36	684	0.000324614	2.215350480 Hartree
633	RY*(3)H36	685	0.000097894	2.274349913 Hartree
634	RY*(4)H36	686	0.000071791	2.142325088 Hartree
635	RY*(5)H36	687	0.000046692	2.947479317 Hartree
636	RY*(1)H37	688	0.001840449	0.711503756 Hartree
637	RY*(2)H37	689	0.000324353	2.215350742 Hartree
638	RY*(3)H37	690	0.000097853	2.274348599 Hartree
639	RY*(4)H37	691	0.000071679	2.142324800 Hartree
640	RY*(5)H37	692	0.000046714	2.947482675 Hartree
641	RY*(1)H38	693	0.000860707	1.448062245 Hartree
642	RY*(2)H38	694	0.000215257	1.947762003 Hartree
643	RY*(3)H38	695	0.000134826	1.893019230 Hartree
644	RY*(4)H38	696	0.000041292	2.653818017 Hartree
645	RY*(5)H38	697	0.000049006	2.604328558 Hartree
646	RY*(1)H39	698	0.000673534	1.277721116 Hartree
647	RY*(2)H39	699	0.000207771	1.914512749 Hartree
648	RY*(3)H39	700	0.000366152	1.987174634 Hartree
649	RY*(4)H39	701	0.000114831	2.697589819 Hartree
650	RY*(5)H39	702	0.000078145	2.627300142 Hartree
651	RY*(1)O40	703	0.004689309	0.891461681 Hartree
652	RY*(2)O40	704	0.000863683	0.794637700 Hartree
653	RY*(3)O40	705	0.000651444	1.360245924 Hartree
654	RY*(4)O40	706	0.000254421	1.154268967 Hartree
655	RY*(5)O40	707	0.000161157	2.427449264 Hartree
656	RY*(6)O40	708	0.000114436	1.443063311 Hartree
657	RY*(7)O40	709	0.000142747	1.889765175 Hartree
658	RY*(8)O40	710	0.000033031	2.860127996 Hartree
659	RY*(9)O40	711	0.000104352	1.247372632 Hartree
660	RY*(10)O40	712	0.000043795	1.217773519 Hartree
661	RY*(11)O40	713	0.000063572	2.328057957 Hartree
662	RY*(12)O40	714	0.000100701	3.918940141 Hartree
663	RY*(13)O40	715	0.000000778	49.502094391 Hartree
664	RY*(14)O40	716	0.000003203	6.640931818 Hartree
665	RY*(15)O40	717	0.000001021	1.590956114 Hartree
666	RY*(16)O40	718	0.000000545	6.703519002 Hartree
667	RY*(17)O40	719	0.000057894	1.137892025 Hartree
668	RY*(18)O40	720	0.000021328	6.226656776 Hartree
669	RY*(19)O40	721	0.000039757	4.978223083 Hartree
670	RY*(20)O40	722	0.000000548	6.745906796 Hartree
671	RY*(21)O40	723	0.000014990	4.946429808 Hartree
672	RY*(22)O40	724	0.000001279	6.867676079 Hartree
673	RY*(1)H41	725	0.001698194	0.986533550 Hartree
674	RY*(2)H41	726	0.000158354	2.107947523 Hartree
675	RY*(3)H41	727	0.002890104	1.942239070 Hartree
676	RY*(4)H41	728	0.002886869	2.258303612 Hartree
677	RY*(5)H41	729	0.000705927	2.341805004 Hartree
678	RY*(1)H42	730	0.001335547	0.748208041 Hartree
679	RY*(2)H42	731	0.002387572	2.030260459 Hartree
680	RY*(3)H42	732	0.000440260	1.991965121 Hartree
681	RY*(4)H42	733	0.000161609	2.210096078 Hartree
682	RY*(5)H42	734	0.001675547	2.612485936 Hartree
683	RY*(1)H43	735	0.011317080	0.746564648 Hartree
684	RY*(2)H43	736	0.075435495	1.235841541 Hartree
685	RY*(3)H43	737	0.160370081	0.601934473 Hartree
686	RY*(4)H43	738	0.129287278	1.887301147 Hartree
687	RY*(5)H43	739	0.181282735	2.673112804 Hartree
688	BD*(1)C1-C2		0.053984745	0.377364970 Hartree
689	BD*(1)C1-H41		0.004071692	0.403289465 Hartree
690	BD*(1)C1-H42		0.006878988	0.381681753 Hartree
691	BD*(1)C1-H43		0.006692961	0.373627993 Hartree
692	BD*(1)C2-C3		0.067419561	0.437751307 Hartree
693	BD*(1)C2-O40		0.010194716	0.610860781 Hartree
694	BD*(2)C2-O40		0.147340114	0.015930592 Hartree
695	BD*(1)C3-C4		0.023359065	0.553827581 Hartree
696	BD*(1)C3-C8		0.023071206	0.549426709 Hartree
697	BD*(2)C3-C8		0.370959198	0.023854449 Hartree
698	BD*(1)C4-C5		0.013327803	0.576079322 Hartree
699	BD*(2)C4-C5		0.303640817	0.018146775 Hartree
700	BD*(1)C4-H39		0.013828571	0.424660244 Hartree
701	BD*(1)C5-C6		0.023028681	0.541596253 Hartree
702	BD*(1)C5-H38		0.013557141	0.423417674 Hartree
703	BD*(1)C6-C7		0.030019417	0.538403276 Hartree
704	BD*(2)C6-C7		0.393157084	0.006630371 Hartree
705	BD*(1)C6-O11		0.029616030	0.349265911 Hartree
706	BD*(1)C7-C8		0.014534252	0.569154231 Hartree
707	BD*(1)C7-H10		0.015236257	0.421156917 Hartree
708	BD*(1)C8-H9		0.015229781	0.440343271 Hartree
709	BD*(1)O11-C12		0.020884527	0.256828952 Hartree
710	BD*(1)C12-C13		0.011848752	0.370184282 Hartree
711	BD*(1)C12-H36		0.026624982	0.355309522 Hartree
712	BD*(1)C12-H37		0.026209509	0.352373695 Hartree
713	BD*(1)C13-C14		0.011035904	0.363919828 Hartree
714	BD*(1)C13-H34		0.015186615	0.377020772 Hartree
715	BD*(1)C13-H35		0.015188358	0.377029216 Hartree
716	BD*(1)C14-O15		0.020875327	0.256727863 Hartree
717	BD*(1)C14-H32		0.026224378	0.352482328 Hartree
718	BD*(1)C14-H33		0.026211474	0.352371632 Hartree
719	BD*(1)O15-C16		0.029612618	0.349264452 Hartree
720	BD*(1)C16-C17		0.030064820	0.537726337 Hartree
721	BD*(2)C16-C17		0.393164495	0.006701598 Hartree
722	BD*(1)C16-C21		0.023023308	0.541595754 Hartree
723	BD*(1)C17-C18		0.014172758	0.568365067 Hartree
724	BD*(1)C17-H31		0.015787462	0.433249401 Hartree
725	BD*(1)C18-C19		0.036470472	0.724446721 Hartree
726	BD*(2)C18-C19		0.373806993	0.052948198 Hartree
727	BD*(1)C18-H30		0.020416242	0.492525704 Hartree
728	BD*(1)C19-C20		0.023361299	0.553839791 Hartree
729	BD*(1)C19-C24		0.067597140	0.439410462 Hartree
730	BD*(1)C20-C21		0.013500486	0.577390792 Hartree
731	BD*(2)C20-C21		0.309114667	0.064782358 Hartree
732	BD*(1)C20-H23		0.014619873	0.434584377 Hartree
733	BD*(1)C21-H22		0.014545323	0.429734917 Hartree
734	BD*(1)C24-C25		0.054084540	0.377407903 Hartree
735	BD*(1)C24-O29		0.013359048	0.624320503 Hartree
736	BD*(2)C24-O29		0.151392356	0.041666583 Hartree
737	BD*(1)C25-H26		0.109525421	1.286736381 Hartree
738	BD*(1)C25-H27		0.069219857	1.316411108 Hartree
739	BD*(1)C25-H28		0.107911269	1.235111616 Hartree
740				********** Hartree
741				********** Hartree

Quote

\@ The archive entry for this job was punched. A true friend is someone who is there for you when he'd rather be anywhere else. -- Len Wein