WebMO Job Summary

Overview

Quantity	Value
Route	#N B3LYP/6-31G(d) SP GFINPUT POP=(FULL,NBORead) Geom=Connectivity
Stoichiometry	C₂₉H₂₀O
Symmetry	C2
Basis	6-31G(d)
RB3LYP Energy	-1192.33855918 Hartree
Dipole Moment	3.6801 Debye
Server	short (2770351)
CPU time	624.7 sec

Rotational Constants

Constant	Frequency (GHz)	Frequency (cm^-1)
a	0.2043031	0.00681481787
b	0.1356786	0.00452575094
c	0.0867310	0.00289303475

Molecular Orbitals

Display Range		- / 490
Orbital	Symmetry	Occupancy	Energy	Actions
1	-	2	-19.15091 Hartree
2	-	2	-10.27637 Hartree
3	-	2	-10.21765 Hartree
4	-	2	-10.21743 Hartree
5	-	2	-10.20740 Hartree
6	-	2	-10.20739 Hartree
7	-	2	-10.19814 Hartree
8	-	2	-10.19813 Hartree
9	-	2	-10.19773 Hartree
10	-	2	-10.19773 Hartree
11	-	2	-10.19709 Hartree
12	-	2	-10.19709 Hartree
13	-	2	-10.19694 Hartree
14	-	2	-10.19693 Hartree
15	-	2	-10.19629 Hartree
16	-	2	-10.19629 Hartree
17	-	2	-10.19592 Hartree
18	-	2	-10.19592 Hartree
19	-	2	-10.19554 Hartree
20	-	2	-10.19554 Hartree
21	-	2	-10.18616 Hartree
22	-	2	-10.18616 Hartree
23	-	2	-10.18535 Hartree
24	-	2	-10.18535 Hartree
25	-	2	-10.18480 Hartree
26	-	2	-10.18480 Hartree
27	-	2	-10.18404 Hartree
28	-	2	-10.18404 Hartree
29	-	2	-10.18277 Hartree
30	-	2	-10.18277 Hartree
31	-	2	-1.04556 Hartree
32	-	2	-0.88611 Hartree
33	-	2	-0.86083 Hartree
34	-	2	-0.85422 Hartree
35	-	2	-0.85015 Hartree
36	-	2	-0.83944 Hartree
37	-	2	-0.78529 Hartree
38	-	2	-0.76716 Hartree
39	-	2	-0.75427 Hartree
40	-	2	-0.75025 Hartree
41	-	2	-0.74925 Hartree
42	-	2	-0.74242 Hartree
43	-	2	-0.73826 Hartree
44	-	2	-0.73811 Hartree
45	-	2	-0.69399 Hartree
46	-	2	-0.66604 Hartree
47	-	2	-0.62567 Hartree
48	-	2	-0.61503 Hartree
49	-	2	-0.60878 Hartree
50	-	2	-0.60845 Hartree
51	-	2	-0.59891 Hartree
52	-	2	-0.59809 Hartree
53	-	2	-0.58336 Hartree
54	-	2	-0.58212 Hartree
55	-	2	-0.54505 Hartree
56	-	2	-0.53454 Hartree
57	-	2	-0.52409 Hartree
58	-	2	-0.51237 Hartree
59	-	2	-0.49423 Hartree
60	-	2	-0.49275 Hartree
61	-	2	-0.47771 Hartree
62	-	2	-0.46426 Hartree
63	-	2	-0.45884 Hartree
64	-	2	-0.45777 Hartree
65	-	2	-0.45553 Hartree
66	-	2	-0.44819 Hartree
67	-	2	-0.44422 Hartree
68	-	2	-0.43932 Hartree
69	-	2	-0.43317 Hartree
70	-	2	-0.42622 Hartree
71	-	2	-0.42526 Hartree
72	-	2	-0.41833 Hartree
73	-	2	-0.41711 Hartree
74	-	2	-0.41628 Hartree
75	-	2	-0.41139 Hartree
76	-	2	-0.40941 Hartree
77	-	2	-0.40102 Hartree
78	-	2	-0.39862 Hartree
79	-	2	-0.37378 Hartree
80	-	2	-0.36965 Hartree
81	-	2	-0.36234 Hartree
82	-	2	-0.36117 Hartree
83	-	2	-0.35375 Hartree
84	-	2	-0.35278 Hartree
85	-	2	-0.35128 Hartree
86	-	2	-0.34919 Hartree
87	-	2	-0.34453 Hartree
88	-	2	-0.33929 Hartree
89	-	2	-0.33842 Hartree
90	-	2	-0.33495 Hartree
91	-	2	-0.31919 Hartree
92	-	2	-0.28078 Hartree
93	-	2	-0.26958 Hartree
94	-	2	-0.26030 Hartree
95	-	2	-0.25633 Hartree
96	-	2	-0.25188 Hartree
97	-	2	-0.24543 Hartree
98	-	2	-0.24308 Hartree
99	-	2	-0.23991 Hartree
100	-	2	-0.23217 Hartree
101	-	2	-0.19909 Hartree
102	-	0	-0.09904 Hartree
103	-	0	-0.02381 Hartree
104	-	0	-0.01231 Hartree
105	-	0	-0.00701 Hartree
106	-	0	-0.00239 Hartree
107	-	0	0.00051 Hartree
108	-	0	0.00407 Hartree
109	-	0	0.00935 Hartree
110	-	0	0.01011 Hartree
111	-	0	0.08028 Hartree
112	-	0	0.08970 Hartree
113	-	0	0.09128 Hartree
114	-	0	0.09965 Hartree
115	-	0	0.10220 Hartree
116	-	0	0.10349 Hartree
117	-	0	0.13882 Hartree
118	-	0	0.14064 Hartree
119	-	0	0.14479 Hartree
120	-	0	0.14921 Hartree
121	-	0	0.15018 Hartree
122	-	0	0.15164 Hartree
123	-	0	0.15506 Hartree
124	-	0	0.15755 Hartree
125	-	0	0.16260 Hartree
126	-	0	0.16628 Hartree
127	-	0	0.16712 Hartree
128	-	0	0.17077 Hartree
129	-	0	0.17995 Hartree
130	-	0	0.18244 Hartree
131	-	0	0.18477 Hartree
132	-	0	0.18550 Hartree
133	-	0	0.18963 Hartree
134	-	0	0.19138 Hartree
135	-	0	0.19973 Hartree
136	-	0	0.20570 Hartree
137	-	0	0.22162 Hartree
138	-	0	0.23537 Hartree
139	-	0	0.25193 Hartree
140	-	0	0.25992 Hartree
141	-	0	0.27918 Hartree
142	-	0	0.28494 Hartree
143	-	0	0.29096 Hartree
144	-	0	0.29368 Hartree
145	-	0	0.29961 Hartree
146	-	0	0.30016 Hartree
147	-	0	0.30364 Hartree
148	-	0	0.31017 Hartree
149	-	0	0.31132 Hartree
150	-	0	0.31725 Hartree
151	-	0	0.31768 Hartree
152	-	0	0.32198 Hartree
153	-	0	0.33613 Hartree
154	-	0	0.34748 Hartree
155	-	0	0.35085 Hartree
156	-	0	0.35823 Hartree
157	-	0	0.36580 Hartree
158	-	0	0.38278 Hartree
159	-	0	0.39522 Hartree
160	-	0	0.42398 Hartree
161	-	0	0.44252 Hartree
162	-	0	0.44916 Hartree
163	-	0	0.47711 Hartree
164	-	0	0.47857 Hartree
165	-	0	0.48261 Hartree
166	-	0	0.48708 Hartree
167	-	0	0.49826 Hartree
168	-	0	0.50347 Hartree
169	-	0	0.50738 Hartree
170	-	0	0.52396 Hartree
171	-	0	0.52720 Hartree
172	-	0	0.53265 Hartree
173	-	0	0.53635 Hartree
174	-	0	0.53859 Hartree
175	-	0	0.54211 Hartree
176	-	0	0.54282 Hartree
177	-	0	0.54763 Hartree
178	-	0	0.56008 Hartree
179	-	0	0.56122 Hartree
180	-	0	0.56415 Hartree
181	-	0	0.56526 Hartree
182	-	0	0.56990 Hartree
183	-	0	0.57273 Hartree
184	-	0	0.57922 Hartree
185	-	0	0.58187 Hartree
186	-	0	0.58397 Hartree
187	-	0	0.58798 Hartree
188	-	0	0.59117 Hartree
189	-	0	0.59358 Hartree
190	-	0	0.59545 Hartree
191	-	0	0.59747 Hartree
192	-	0	0.60107 Hartree
193	-	0	0.60122 Hartree
194	-	0	0.60514 Hartree
195	-	0	0.61004 Hartree
196	-	0	0.61113 Hartree
197	-	0	0.61175 Hartree
198	-	0	0.61445 Hartree
199	-	0	0.61738 Hartree
200	-	0	0.61852 Hartree
201	-	0	0.62141 Hartree
202	-	0	0.62494 Hartree
203	-	0	0.62581 Hartree
204	-	0	0.62817 Hartree
205	-	0	0.62992 Hartree
206	-	0	0.63429 Hartree
207	-	0	0.63623 Hartree
208	-	0	0.64244 Hartree
209	-	0	0.64828 Hartree
210	-	0	0.64960 Hartree
211	-	0	0.67100 Hartree
212	-	0	0.67564 Hartree
213	-	0	0.68268 Hartree
214	-	0	0.68558 Hartree
215	-	0	0.68793 Hartree
216	-	0	0.68963 Hartree
217	-	0	0.69038 Hartree
218	-	0	0.71458 Hartree
219	-	0	0.73569 Hartree
220	-	0	0.75229 Hartree
221	-	0	0.76953 Hartree
222	-	0	0.77250 Hartree
223	-	0	0.77939 Hartree
224	-	0	0.80079 Hartree
225	-	0	0.80278 Hartree
226	-	0	0.81583 Hartree
227	-	0	0.82216 Hartree
228	-	0	0.82444 Hartree
229	-	0	0.83234 Hartree
230	-	0	0.83466 Hartree
231	-	0	0.83654 Hartree
232	-	0	0.83862 Hartree
233	-	0	0.84076 Hartree
234	-	0	0.84385 Hartree
235	-	0	0.84417 Hartree
236	-	0	0.84963 Hartree
237	-	0	0.85477 Hartree
238	-	0	0.85597 Hartree
239	-	0	0.85624 Hartree
240	-	0	0.86504 Hartree
241	-	0	0.87042 Hartree
242	-	0	0.89328 Hartree
243	-	0	0.89636 Hartree
244	-	0	0.89977 Hartree
245	-	0	0.90244 Hartree
246	-	0	0.90676 Hartree
247	-	0	0.90961 Hartree
248	-	0	0.91840 Hartree
249	-	0	0.91941 Hartree
250	-	0	0.92669 Hartree
251	-	0	0.94797 Hartree
252	-	0	0.94931 Hartree
253	-	0	0.95466 Hartree
254	-	0	0.95940 Hartree
255	-	0	0.96355 Hartree
256	-	0	0.96766 Hartree
257	-	0	0.97509 Hartree
258	-	0	0.98225 Hartree
259	-	0	0.98780 Hartree
260	-	0	0.99462 Hartree
261	-	0	1.00239 Hartree
262	-	0	1.00587 Hartree
263	-	0	1.01345 Hartree
264	-	0	1.02136 Hartree
265	-	0	1.02243 Hartree
266	-	0	1.03534 Hartree
267	-	0	1.03833 Hartree
268	-	0	1.05082 Hartree
269	-	0	1.05232 Hartree
270	-	0	1.09164 Hartree
271	-	0	1.10136 Hartree
272	-	0	1.10265 Hartree
273	-	0	1.11622 Hartree
274	-	0	1.12730 Hartree
275	-	0	1.13488 Hartree
276	-	0	1.13791 Hartree
277	-	0	1.14213 Hartree
278	-	0	1.14882 Hartree
279	-	0	1.15317 Hartree
280	-	0	1.16350 Hartree
281	-	0	1.17571 Hartree
282	-	0	1.18053 Hartree
283	-	0	1.18345 Hartree
284	-	0	1.19197 Hartree
285	-	0	1.20294 Hartree
286	-	0	1.21986 Hartree
287	-	0	1.22306 Hartree
288	-	0	1.24439 Hartree
289	-	0	1.25547 Hartree
290	-	0	1.25771 Hartree
291	-	0	1.26263 Hartree
292	-	0	1.26646 Hartree
293	-	0	1.27306 Hartree
294	-	0	1.27941 Hartree
295	-	0	1.33287 Hartree
296	-	0	1.33954 Hartree
297	-	0	1.35167 Hartree
298	-	0	1.35479 Hartree
299	-	0	1.38183 Hartree
300	-	0	1.39198 Hartree
301	-	0	1.40314 Hartree
302	-	0	1.41355 Hartree
303	-	0	1.41855 Hartree
304	-	0	1.43005 Hartree
305	-	0	1.43861 Hartree
306	-	0	1.44187 Hartree
307	-	0	1.44656 Hartree
308	-	0	1.45243 Hartree
309	-	0	1.45406 Hartree
310	-	0	1.45879 Hartree
311	-	0	1.46282 Hartree
312	-	0	1.47050 Hartree
313	-	0	1.47925 Hartree
314	-	0	1.48200 Hartree
315	-	0	1.48711 Hartree
316	-	0	1.49141 Hartree
317	-	0	1.49643 Hartree
318	-	0	1.49900 Hartree
319	-	0	1.50021 Hartree
320	-	0	1.50167 Hartree
321	-	0	1.50820 Hartree
322	-	0	1.51078 Hartree
323	-	0	1.51794 Hartree
324	-	0	1.52069 Hartree
325	-	0	1.52087 Hartree
326	-	0	1.54358 Hartree
327	-	0	1.57885 Hartree
328	-	0	1.60855 Hartree
329	-	0	1.65074 Hartree
330	-	0	1.66346 Hartree
331	-	0	1.68402 Hartree
332	-	0	1.71003 Hartree
333	-	0	1.72477 Hartree
334	-	0	1.73552 Hartree
335	-	0	1.75720 Hartree
336	-	0	1.75766 Hartree
337	-	0	1.79564 Hartree
338	-	0	1.79999 Hartree
339	-	0	1.80680 Hartree
340	-	0	1.81250 Hartree
341	-	0	1.81488 Hartree
342	-	0	1.82203 Hartree
343	-	0	1.82748 Hartree
344	-	0	1.83390 Hartree
345	-	0	1.83553 Hartree
346	-	0	1.85772 Hartree
347	-	0	1.86562 Hartree
348	-	0	1.89246 Hartree
349	-	0	1.89583 Hartree
350	-	0	1.90506 Hartree
351	-	0	1.91860 Hartree
352	-	0	1.92180 Hartree
353	-	0	1.92724 Hartree
354	-	0	1.93168 Hartree
355	-	0	1.93171 Hartree
356	-	0	1.93958 Hartree
357	-	0	1.94655 Hartree
358	-	0	1.96391 Hartree
359	-	0	1.97505 Hartree
360	-	0	1.98086 Hartree
361	-	0	1.98800 Hartree
362	-	0	1.98932 Hartree
363	-	0	1.99171 Hartree
364	-	0	2.01871 Hartree
365	-	0	2.04159 Hartree
366	-	0	2.04161 Hartree
367	-	0	2.04201 Hartree
368	-	0	2.06298 Hartree
369	-	0	2.06487 Hartree
370	-	0	2.06738 Hartree
371	-	0	2.07346 Hartree
372	-	0	2.09542 Hartree
373	-	0	2.10067 Hartree
374	-	0	2.13544 Hartree
375	-	0	2.13919 Hartree
376	-	0	2.13923 Hartree
377	-	0	2.14305 Hartree
378	-	0	2.14872 Hartree
379	-	0	2.14973 Hartree
380	-	0	2.15550 Hartree
381	-	0	2.15552 Hartree
382	-	0	2.16232 Hartree
383	-	0	2.16321 Hartree
384	-	0	2.17396 Hartree
385	-	0	2.17405 Hartree
386	-	0	2.19141 Hartree
387	-	0	2.20394 Hartree
388	-	0	2.21869 Hartree
389	-	0	2.22189 Hartree
390	-	0	2.25290 Hartree
391	-	0	2.25421 Hartree
392	-	0	2.27380 Hartree
393	-	0	2.29024 Hartree
394	-	0	2.30167 Hartree
395	-	0	2.30351 Hartree
396	-	0	2.30418 Hartree
397	-	0	2.31187 Hartree
398	-	0	2.31478 Hartree
399	-	0	2.31852 Hartree
400	-	0	2.32169 Hartree
401	-	0	2.32764 Hartree
402	-	0	2.36348 Hartree
403	-	0	2.36439 Hartree
404	-	0	2.37400 Hartree
405	-	0	2.38699 Hartree
406	-	0	2.38712 Hartree
407	-	0	2.41775 Hartree
408	-	0	2.43447 Hartree
409	-	0	2.44315 Hartree
410	-	0	2.46831 Hartree
411	-	0	2.50861 Hartree
412	-	0	2.52301 Hartree
413	-	0	2.55738 Hartree
414	-	0	2.58405 Hartree
415	-	0	2.58597 Hartree
416	-	0	2.59121 Hartree
417	-	0	2.59148 Hartree
418	-	0	2.60161 Hartree
419	-	0	2.60916 Hartree
420	-	0	2.61495 Hartree
421	-	0	2.63708 Hartree
422	-	0	2.64306 Hartree
423	-	0	2.64971 Hartree
424	-	0	2.65148 Hartree
425	-	0	2.65766 Hartree
426	-	0	2.67020 Hartree
427	-	0	2.68071 Hartree
428	-	0	2.68878 Hartree
429	-	0	2.71480 Hartree
430	-	0	2.71839 Hartree
431	-	0	2.72836 Hartree
432	-	0	2.73691 Hartree
433	-	0	2.73879 Hartree
434	-	0	2.74563 Hartree
435	-	0	2.74984 Hartree
436	-	0	2.75684 Hartree
437	-	0	2.76439 Hartree
438	-	0	2.76952 Hartree
439	-	0	2.77399 Hartree
440	-	0	2.77920 Hartree
441	-	0	2.80413 Hartree
442	-	0	2.80696 Hartree
443	-	0	2.82853 Hartree
444	-	0	2.85316 Hartree
445	-	0	2.86525 Hartree
446	-	0	2.88956 Hartree
447	-	0	2.91183 Hartree
448	-	0	2.91310 Hartree
449	-	0	2.98939 Hartree
450	-	0	3.00367 Hartree
451	-	0	3.05998 Hartree
452	-	0	3.10285 Hartree
453	-	0	3.15235 Hartree
454	-	0	3.16181 Hartree
455	-	0	3.20059 Hartree
456	-	0	3.34490 Hartree
457	-	0	3.39731 Hartree
458	-	0	3.40913 Hartree
459	-	0	3.43854 Hartree
460	-	0	3.45231 Hartree
461	-	0	3.98588 Hartree
462	-	0	4.08672 Hartree
463	-	0	4.09044 Hartree
464	-	0	4.09224 Hartree
465	-	0	4.09636 Hartree
466	-	0	4.09957 Hartree
467	-	0	4.11950 Hartree
468	-	0	4.12742 Hartree
469	-	0	4.13755 Hartree
470	-	0	4.13969 Hartree
471	-	0	4.15139 Hartree
472	-	0	4.17294 Hartree
473	-	0	4.17906 Hartree
474	-	0	4.21023 Hartree
475	-	0	4.23411 Hartree
476	-	0	4.30440 Hartree
477	-	0	4.33254 Hartree
478	-	0	4.33778 Hartree
479	-	0	4.35266 Hartree
480	-	0	4.35859 Hartree
481	-	0	4.38520 Hartree
482	-	0	4.39393 Hartree
483	-	0	4.41523 Hartree
484	-	0	4.51021 Hartree
485	-	0	4.59676 Hartree
486	-	0	4.66908 Hartree
487	-	0	4.69615 Hartree
488	-	0	4.69748 Hartree
489	-	0	4.82041 Hartree
490	-	0	4.84254 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom	Symbol	Charge
1	C	-0.10240
2	C	0.02437
3	C	0.02437
4	C	-0.10240
5	C	0.57292
6	O	-0.50384
7	C	-0.07398
8	C	-0.20111
9	C	-0.23445
10	C	-0.22935
11	C	-0.23536
12	C	-0.20571
13	H	0.24178
14	H	0.23637
15	H	0.23507
16	H	0.23721
17	H	0.24973
18	C	-0.08376
19	C	-0.20790
20	C	-0.23048
21	C	-0.22789
22	C	-0.23160
23	C	-0.20483
24	H	0.24725
25	H	0.23989
26	H	0.23783
27	H	0.23958
28	H	0.24521
29	C	-0.08376
30	C	-0.20483
31	C	-0.23160
32	C	-0.22789
33	C	-0.23048
34	C	-0.20790
35	H	0.24521
36	H	0.23958
37	H	0.23783
38	H	0.23989
39	H	0.24725
40	C	-0.07398
41	C	-0.20111
42	C	-0.23445
43	C	-0.22935
44	C	-0.23536
45	C	-0.20571
46	H	0.24178
47	H	0.23637
48	H	0.23507
49	H	0.23721
50	H	0.24973

Natural Atomic Orbitals

Display Range		- / 490
Orbital	Description	Occupancy	Energy	Actions
1	C1 Cor(1S)	1.998811602	-10.043927462 Hartree
2	C1 Val(2S)	0.886746935	-0.134198714 Hartree
3	C1 Ryd(3S)	0.001246510	1.102181036 Hartree
4	C1 Ryd(4S)	0.000072979	4.178795561 Hartree
5	C1 Val(2p)	1.038371302	-0.097686353 Hartree
6	C1 Ryd(3p)	0.002283598	0.790472968 Hartree
7	C1 Val(2p)	1.076466527	-0.050598990 Hartree
8	C1 Ryd(3p)	0.004595718	1.201105281 Hartree
9	C1 Val(2p)	1.085499491	-0.052121049 Hartree
10	C1 Ryd(3p)	0.005340048	1.056082738 Hartree
11	C1 Ryd(3d)	0.000551835	2.168186908 Hartree
12	C1 Ryd(3d)	0.000565797	2.056624673 Hartree
13	C1 Ryd(3d)	0.000875531	2.477158926 Hartree
14	C1 Ryd(3d)	0.000487752	2.234442731 Hartree
15	C1 Ryd(3d)	0.000485069	2.452385809 Hartree
16	C2 Cor(1S)	1.998897296	-10.061940112 Hartree
17	C2 Val(2S)	0.869651409	-0.134533321 Hartree
18	C2 Ryd(3S)	0.000742846	1.106686417 Hartree
19	C2 Ryd(4S)	0.000063930	4.205044249 Hartree
20	C2 Val(2p)	0.970577521	-0.100235842 Hartree
21	C2 Ryd(3p)	0.004246474	0.817015438 Hartree
22	C2 Val(2p)	1.033162920	-0.060637891 Hartree
23	C2 Ryd(3p)	0.002800912	0.992482220 Hartree
24	C2 Val(2p)	1.087732052	-0.047244718 Hartree
25	C2 Ryd(3p)	0.004473455	1.178753579 Hartree
26	C2 Ryd(3d)	0.000479684	2.139037788 Hartree
27	C2 Ryd(3d)	0.000775173	2.100958858 Hartree
28	C2 Ryd(3d)	0.000757297	2.383239176 Hartree
29	C2 Ryd(3d)	0.000531667	2.141698914 Hartree
30	C2 Ryd(3d)	0.000736739	2.551430311 Hartree
31	C3 Cor(1S)	1.998897296	-10.061940112 Hartree
32	C3 Val(2S)	0.869651409	-0.134533321 Hartree
33	C3 Ryd(3S)	0.000742846	1.106686417 Hartree
34	C3 Ryd(4S)	0.000063930	4.205044249 Hartree
35	C3 Val(2p)	0.970577521	-0.100235842 Hartree
36	C3 Ryd(3p)	0.004246474	0.817015438 Hartree
37	C3 Val(2p)	1.033162920	-0.060637891 Hartree
38	C3 Ryd(3p)	0.002800912	0.992482220 Hartree
39	C3 Val(2p)	1.087732052	-0.047244718 Hartree
40	C3 Ryd(3p)	0.004473455	1.178753579 Hartree
41	C3 Ryd(3d)	0.000479684	2.139037788 Hartree
42	C3 Ryd(3d)	0.000775173	2.100958858 Hartree
43	C3 Ryd(3d)	0.000757297	2.383239176 Hartree
44	C3 Ryd(3d)	0.000531667	2.141698914 Hartree
45	C3 Ryd(3d)	0.000736739	2.551430311 Hartree
46	C4 Cor(1S)	1.998811602	-10.043927462 Hartree
47	C4 Val(2S)	0.886746935	-0.134198714 Hartree
48	C4 Ryd(3S)	0.001246510	1.102181036 Hartree
49	C4 Ryd(4S)	0.000072979	4.178795561 Hartree
50	C4 Val(2p)	1.038371302	-0.097686353 Hartree
51	C4 Ryd(3p)	0.002283598	0.790472968 Hartree
52	C4 Val(2p)	1.076466527	-0.050598990 Hartree
53	C4 Ryd(3p)	0.004595718	1.201105281 Hartree
54	C4 Val(2p)	1.085499491	-0.052121049 Hartree
55	C4 Ryd(3p)	0.005340048	1.056082738 Hartree
56	C4 Ryd(3d)	0.000551835	2.168186908 Hartree
57	C4 Ryd(3d)	0.000565797	2.056624673 Hartree
58	C4 Ryd(3d)	0.000875531	2.477158926 Hartree
59	C4 Ryd(3d)	0.000487752	2.234442731 Hartree
60	C4 Ryd(3d)	0.000485069	2.452385809 Hartree
61	C5 Cor(1S)	1.999244898	-10.146534971 Hartree
62	C5 Val(2S)	0.847717768	-0.161428805 Hartree
63	C5 Ryd(3S)	0.006425204	1.347326521 Hartree
64	C5 Ryd(4S)	0.000221854	3.723643511 Hartree
65	C5 Val(2p)	0.790897689	-0.102687619 Hartree
66	C5 Ryd(3p)	0.000859434	0.702957722 Hartree
67	C5 Val(2p)	0.951345452	-0.049486764 Hartree
68	C5 Ryd(3p)	0.003395037	0.892291275 Hartree
69	C5 Val(2p)	0.801307031	0.012047133 Hartree
70	C5 Ryd(3p)	0.019325854	0.946018138 Hartree
71	C5 Ryd(3d)	0.000517252	2.095613270 Hartree
72	C5 Ryd(3d)	0.001685355	2.319805302 Hartree
73	C5 Ryd(3d)	0.002538879	2.625059298 Hartree
74	C5 Ryd(3d)	0.000460763	2.057808560 Hartree
75	C5 Ryd(3d)	0.001139513	2.652317301 Hartree
76	O6 Cor(1S)	1.999791237	-18.879026523 Hartree
77	O6 Val(2S)	1.690501758	-0.892941959 Hartree
78	O6 Ryd(3S)	0.000421677	2.500326490 Hartree
79	O6 Ryd(4S)	0.000105869	3.282572353 Hartree
80	O6 Val(2p)	1.407046111	-0.247332402 Hartree
81	O6 Ryd(3p)	0.000896161	1.099042735 Hartree
82	O6 Val(2p)	1.786150217	-0.256687126 Hartree
83	O6 Ryd(3p)	0.002542533	1.184700572 Hartree
84	O6 Val(2p)	1.602029842	-0.309652021 Hartree
85	O6 Ryd(3p)	0.000260027	1.382947340 Hartree
86	O6 Ryd(3d)	0.000029486	1.843213144 Hartree
87	O6 Ryd(3d)	0.004250173	1.902805200 Hartree
88	O6 Ryd(3d)	0.004148461	2.038196269 Hartree
89	O6 Ryd(3d)	0.000035091	1.824913224 Hartree
90	O6 Ryd(3d)	0.005636216	2.572724662 Hartree
91	C7 Cor(1S)	1.999013840	-10.043404306 Hartree
92	C7 Val(2S)	0.869743693	-0.119709950 Hartree
93	C7 Ryd(3S)	0.000665436	1.114386171 Hartree
94	C7 Ryd(4S)	0.000066765	4.168989447 Hartree
95	C7 Val(2p)	1.039058384	-0.076977372 Hartree
96	C7 Ryd(3p)	0.001742242	0.820613311 Hartree
97	C7 Val(2p)	1.074866402	-0.035732054 Hartree
98	C7 Ryd(3p)	0.005035874	1.182430865 Hartree
99	C7 Val(2p)	1.075973968	-0.058897509 Hartree
100	C7 Ryd(3p)	0.004935340	0.999361431 Hartree
101	C7 Ryd(3d)	0.000596111	2.154166395 Hartree
102	C7 Ryd(3d)	0.000450479	2.333843038 Hartree
103	C7 Ryd(3d)	0.000643396	2.373000271 Hartree
104	C7 Ryd(3d)	0.000598329	2.344428744 Hartree
105	C7 Ryd(3d)	0.000586255	2.190024276 Hartree
106	C8 Cor(1S)	1.999059282	-10.033353903 Hartree
107	C8 Val(2S)	0.953010607	-0.150082532 Hartree
108	C8 Ryd(3S)	0.000668914	1.195759315 Hartree
109	C8 Ryd(4S)	0.000048345	4.069796054 Hartree
110	C8 Val(2p)	1.011537224	-0.071425265 Hartree
111	C8 Ryd(3p)	0.002215155	0.716251199 Hartree
112	C8 Val(2p)	1.169106802	-0.042141279 Hartree
113	C8 Ryd(3p)	0.004424630	1.077670175 Hartree
114	C8 Val(2p)	1.055177170	-0.044762895 Hartree
115	C8 Ryd(3p)	0.003087171	0.788052921 Hartree
116	C8 Ryd(3d)	0.000529829	2.042359945 Hartree
117	C8 Ryd(3d)	0.000433044	2.318019499 Hartree
118	C8 Ryd(3d)	0.000685995	2.276927230 Hartree
119	C8 Ryd(3d)	0.000603754	2.242516676 Hartree
120	C8 Ryd(3d)	0.000523986	2.113771662 Hartree
121	C9 Cor(1S)	1.999096438	-10.036612411 Hartree
122	C9 Val(2S)	0.960613990	-0.160223241 Hartree
123	C9 Ryd(3S)	0.000590087	1.284133650 Hartree
124	C9 Ryd(4S)	0.000033909	3.948469418 Hartree
125	C9 Val(2p)	1.060303390	-0.079390576 Hartree
126	C9 Ryd(3p)	0.002027989	0.784787702 Hartree
127	C9 Val(2p)	1.063812276	-0.025779889 Hartree
128	C9 Ryd(3p)	0.004503531	0.705230277 Hartree
129	C9 Val(2p)	1.136837426	-0.060229900 Hartree
130	C9 Ryd(3p)	0.003842428	0.986196103 Hartree
131	C9 Ryd(3d)	0.000551725	2.095866906 Hartree
132	C9 Ryd(3d)	0.000636438	2.161011344 Hartree
133	C9 Ryd(3d)	0.000599154	2.267020085 Hartree
134	C9 Ryd(3d)	0.000463587	2.317210559 Hartree
135	C9 Ryd(3d)	0.000534077	2.012300927 Hartree
136	C10 Cor(1S)	1.999093451	-10.039080336 Hartree
137	C10 Val(2S)	0.963426742	-0.163555463 Hartree
138	C10 Ryd(3S)	0.000514322	1.269492347 Hartree
139	C10 Ryd(4S)	0.000032473	3.954306069 Hartree
140	C10 Val(2p)	1.025699233	-0.076184126 Hartree
141	C10 Ryd(3p)	0.001905241	0.685625497 Hartree
142	C10 Val(2p)	1.166739038	-0.042631751 Hartree
143	C10 Ryd(3p)	0.004920575	1.033095650 Hartree
144	C10 Val(2p)	1.060867251	-0.050916942 Hartree
145	C10 Ryd(3p)	0.003371885	0.738315174 Hartree
146	C10 Ryd(3d)	0.000519829	2.002092062 Hartree
147	C10 Ryd(3d)	0.000422816	2.299007070 Hartree
148	C10 Ryd(3d)	0.000657686	2.222469671 Hartree
149	C10 Ryd(3d)	0.000617983	2.205952805 Hartree
150	C10 Ryd(3d)	0.000564035	2.094252836 Hartree
151	C11 Cor(1S)	1.999092941	-10.037548085 Hartree
152	C11 Val(2S)	0.959854156	-0.161083593 Hartree
153	C11 Ryd(3S)	0.000586714	1.284086717 Hartree
154	C11 Ryd(4S)	0.000033792	3.945902296 Hartree
155	C11 Val(2p)	1.031090220	-0.075604131 Hartree
156	C11 Ryd(3p)	0.001928276	0.688553491 Hartree
157	C11 Val(2p)	1.159564462	-0.040689463 Hartree
158	C11 Ryd(3p)	0.005063625	1.008604604 Hartree
159	C11 Val(2p)	1.071954851	-0.052792036 Hartree
160	C11 Ryd(3p)	0.003404693	0.774164279 Hartree
161	C11 Ryd(3d)	0.000512389	2.025758847 Hartree
162	C11 Ryd(3d)	0.000423853	2.294923824 Hartree
163	C11 Ryd(3d)	0.000715809	2.216514875 Hartree
164	C11 Ryd(3d)	0.000601932	2.221925920 Hartree
165	C11 Ryd(3d)	0.000531928	2.087623383 Hartree
166	C12 Cor(1S)	1.999053097	-10.035382188 Hartree
167	C12 Val(2S)	0.951125546	-0.151851823 Hartree
168	C12 Ryd(3S)	0.000670223	1.212125697 Hartree
169	C12 Ryd(4S)	0.000049314	4.079523516 Hartree
170	C12 Val(2p)	1.056460181	-0.079602552 Hartree
171	C12 Ryd(3p)	0.001999493	0.815950846 Hartree
172	C12 Val(2p)	1.055319354	-0.024493633 Hartree
173	C12 Ryd(3p)	0.003549667	0.771019471 Hartree
174	C12 Val(2p)	1.131070260	-0.062279922 Hartree
175	C12 Ryd(3p)	0.003643317	1.016191126 Hartree
176	C12 Ryd(3d)	0.000572582	2.112621820 Hartree
177	C12 Ryd(3d)	0.000632207	2.216048115 Hartree
178	C12 Ryd(3d)	0.000581499	2.283862317 Hartree
179	C12 Ryd(3d)	0.000471277	2.333444005 Hartree
180	C12 Ryd(3d)	0.000512373	2.039996224 Hartree
181	H13 Val(1S)	0.757224304	0.105937724 Hartree
182	H13 Ryd(2S)	0.000997187	0.646648670 Hartree
183	H14 Val(1S)	0.762759743	0.099657848 Hartree
184	H14 Ryd(2S)	0.000869437	0.570326346 Hartree
185	H15 Val(1S)	0.764087983	0.098988733 Hartree
186	H15 Ryd(2S)	0.000844838	0.569040515 Hartree
187	H16 Val(1S)	0.761941371	0.101972575 Hartree
188	H16 Ryd(2S)	0.000851736	0.572083330 Hartree
189	H17 Val(1S)	0.748868707	0.117105169 Hartree
190	H17 Ryd(2S)	0.001402823	0.622210940 Hartree
191	C18 Cor(1S)	1.998999666	-10.051472374 Hartree
192	C18 Val(2S)	0.871666619	-0.134213523 Hartree
193	C18 Ryd(3S)	0.000812357	1.137860990 Hartree
194	C18 Ryd(4S)	0.000068103	4.272913127 Hartree
195	C18 Val(2p)	1.095632310	-0.064093130 Hartree
196	C18 Ryd(3p)	0.003141306	0.958389941 Hartree
197	C18 Val(2p)	1.036742710	-0.089827126 Hartree
198	C18 Ryd(3p)	0.003408072	0.900793863 Hartree
199	C18 Val(2p)	1.065556655	-0.058680540 Hartree
200	C18 Ryd(3p)	0.004811383	1.106736118 Hartree
201	C18 Ryd(3d)	0.000558757	2.167563952 Hartree
202	C18 Ryd(3d)	0.000745761	2.359868493 Hartree
203	C18 Ryd(3d)	0.000546521	2.315379405 Hartree
204	C18 Ryd(3d)	0.000487824	2.232366746 Hartree
205	C18 Ryd(3d)	0.000582919	2.323325939 Hartree
206	C19 Cor(1S)	1.999031905	-10.046852269 Hartree
207	C19 Val(2S)	0.951691442	-0.163419810 Hartree
208	C19 Ryd(3S)	0.000655610	1.219467671 Hartree
209	C19 Ryd(4S)	0.000045082	4.095931516 Hartree
210	C19 Val(2p)	1.169387411	-0.061239309 Hartree
211	C19 Ryd(3p)	0.004770812	1.056657201 Hartree
212	C19 Val(2p)	1.032556104	-0.090911890 Hartree
213	C19 Ryd(3p)	0.001619305	0.788882355 Hartree
214	C19 Val(2p)	1.042354735	-0.050944862 Hartree
215	C19 Ryd(3p)	0.003020889	0.729783465 Hartree
216	C19 Ryd(3d)	0.000544885	2.059282828 Hartree
217	C19 Ryd(3d)	0.000559455	2.291847367 Hartree
218	C19 Ryd(3d)	0.000462364	2.248256470 Hartree
219	C19 Ryd(3d)	0.000566533	2.120327633 Hartree
220	C19 Ryd(3d)	0.000636196	2.229136739 Hartree
221	C20 Cor(1S)	1.999090720	-10.048530217 Hartree
222	C20 Val(2S)	0.960559564	-0.172014449 Hartree
223	C20 Ryd(3S)	0.000590874	1.263850047 Hartree
224	C20 Ryd(4S)	0.000033028	3.946006659 Hartree
225	C20 Val(2p)	1.122157488	-0.054259577 Hartree
226	C20 Ryd(3p)	0.004591960	0.897140070 Hartree
227	C20 Val(2p)	1.017249163	-0.085820616 Hartree
228	C20 Ryd(3p)	0.001702068	0.647420954 Hartree
229	C20 Val(2p)	1.117515052	-0.059930891 Hartree
230	C20 Ryd(3p)	0.004208603	0.897230865 Hartree
231	C20 Ryd(3d)	0.000433537	2.107491092 Hartree
232	C20 Ryd(3d)	0.000845113	2.232726607 Hartree
233	C20 Ryd(3d)	0.000415493	2.177079102 Hartree
234	C20 Ryd(3d)	0.000554760	2.154904325 Hartree
235	C20 Ryd(3d)	0.000532299	2.125927004 Hartree
236	C21 Cor(1S)	1.999095415	-10.050058848 Hartree
237	C21 Val(2S)	0.964188401	-0.174576974 Hartree
238	C21 Ryd(3S)	0.000516471	1.254560787 Hartree
239	C21 Ryd(4S)	0.000032671	3.948543403 Hartree
240	C21 Val(2p)	1.062964197	-0.045273467 Hartree
241	C21 Ryd(3p)	0.004098769	0.704852216 Hartree
242	C21 Val(2p)	1.045822388	-0.091752967 Hartree
243	C21 Ryd(3p)	0.001920295	0.750744116 Hartree
244	C21 Val(2p)	1.142285806	-0.064365559 Hartree
245	C21 Ryd(3p)	0.004179028	0.973082498 Hartree
246	C21 Ryd(3d)	0.000522116	2.126563720 Hartree
247	C21 Ryd(3d)	0.000597101	2.290046070 Hartree
248	C21 Ryd(3d)	0.000627271	2.075886177 Hartree
249	C21 Ryd(3d)	0.000447787	2.186852584 Hartree
250	C21 Ryd(3d)	0.000591010	2.091464820 Hartree
251	C22 Cor(1S)	1.999091389	-10.048223452 Hartree
252	C22 Val(2S)	0.961062167	-0.171935969 Hartree
253	C22 Ryd(3S)	0.000585521	1.266021316 Hartree
254	C22 Ryd(4S)	0.000033909	3.943692287 Hartree
255	C22 Val(2p)	1.172340026	-0.060800509 Hartree
256	C22 Ryd(3p)	0.004848863	1.054174764 Hartree
257	C22 Val(2p)	1.032841688	-0.088655756 Hartree
258	C22 Ryd(3p)	0.001833826	0.703084319 Hartree
259	C22 Val(2p)	1.052391212	-0.049959139 Hartree
260	C22 Ryd(3p)	0.003791306	0.683288456 Hartree
261	C22 Ryd(3d)	0.000553053	2.012848845 Hartree
262	C22 Ryd(3d)	0.000552781	2.276435631 Hartree
263	C22 Ryd(3d)	0.000464658	2.224641616 Hartree
264	C22 Ryd(3d)	0.000570123	2.074828418 Hartree
265	C22 Ryd(3d)	0.000642000	2.207103261 Hartree
266	C23 Cor(1S)	1.999032201	-10.046088822 Hartree
267	C23 Val(2S)	0.952740911	-0.162898545 Hartree
268	C23 Ryd(3S)	0.000691715	1.196882660 Hartree
269	C23 Ryd(4S)	0.000047161	4.100573281 Hartree
270	C23 Val(2p)	1.111799125	-0.050157189 Hartree
271	C23 Ryd(3p)	0.004389973	0.891264264 Hartree
272	C23 Val(2p)	1.003676756	-0.086463357 Hartree
273	C23 Ryd(3p)	0.001444403	0.682795903 Hartree
274	C23 Val(2p)	1.124659962	-0.063253935 Hartree
275	C23 Ryd(3p)	0.003577574	0.976039485 Hartree
276	C23 Ryd(3d)	0.000415019	2.139184568 Hartree
277	C23 Ryd(3d)	0.000836236	2.285832950 Hartree
278	C23 Ryd(3d)	0.000428484	2.187799957 Hartree
279	C23 Ryd(3d)	0.000550329	2.191242722 Hartree
280	C23 Ryd(3d)	0.000540382	2.141148340 Hartree
281	H24 Val(1S)	0.751837716	0.099253275 Hartree
282	H24 Ryd(2S)	0.000907909	0.591755984 Hartree
283	H25 Val(1S)	0.759262517	0.092983855 Hartree
284	H25 Ryd(2S)	0.000847664	0.562069487 Hartree
285	H26 Val(1S)	0.761345218	0.091244250 Hartree
286	H26 Ryd(2S)	0.000826325	0.560313771 Hartree
287	H27 Val(1S)	0.759573123	0.092512172 Hartree
288	H27 Ryd(2S)	0.000846164	0.561604344 Hartree
289	H28 Val(1S)	0.753815468	0.096457031 Hartree
290	H28 Ryd(2S)	0.000973932	0.609847930 Hartree
291	C29 Cor(1S)	1.998999666	-10.051472374 Hartree
292	C29 Val(2S)	0.871666619	-0.134213523 Hartree
293	C29 Ryd(3S)	0.000812357	1.137860990 Hartree
294	C29 Ryd(4S)	0.000068103	4.272913127 Hartree
295	C29 Val(2p)	1.095632310	-0.064093130 Hartree
296	C29 Ryd(3p)	0.003141306	0.958389941 Hartree
297	C29 Val(2p)	1.036742710	-0.089827126 Hartree
298	C29 Ryd(3p)	0.003408072	0.900793863 Hartree
299	C29 Val(2p)	1.065556655	-0.058680540 Hartree
300	C29 Ryd(3p)	0.004811383	1.106736118 Hartree
301	C29 Ryd(3d)	0.000558757	2.167563952 Hartree
302	C29 Ryd(3d)	0.000745761	2.359868493 Hartree
303	C29 Ryd(3d)	0.000546521	2.315379405 Hartree
304	C29 Ryd(3d)	0.000487824	2.232366746 Hartree
305	C29 Ryd(3d)	0.000582919	2.323325939 Hartree
306	C30 Cor(1S)	1.999032201	-10.046088822 Hartree
307	C30 Val(2S)	0.952740911	-0.162898545 Hartree
308	C30 Ryd(3S)	0.000691715	1.196882660 Hartree
309	C30 Ryd(4S)	0.000047161	4.100573281 Hartree
310	C30 Val(2p)	1.111799125	-0.050157189 Hartree
311	C30 Ryd(3p)	0.004389973	0.891264264 Hartree
312	C30 Val(2p)	1.003676756	-0.086463357 Hartree
313	C30 Ryd(3p)	0.001444403	0.682795903 Hartree
314	C30 Val(2p)	1.124659962	-0.063253935 Hartree
315	C30 Ryd(3p)	0.003577574	0.976039485 Hartree
316	C30 Ryd(3d)	0.000415019	2.139184568 Hartree
317	C30 Ryd(3d)	0.000836236	2.285832950 Hartree
318	C30 Ryd(3d)	0.000428484	2.187799957 Hartree
319	C30 Ryd(3d)	0.000550329	2.191242722 Hartree
320	C30 Ryd(3d)	0.000540382	2.141148340 Hartree
321	C31 Cor(1S)	1.999091389	-10.048223452 Hartree
322	C31 Val(2S)	0.961062167	-0.171935969 Hartree
323	C31 Ryd(3S)	0.000585521	1.266021316 Hartree
324	C31 Ryd(4S)	0.000033909	3.943692287 Hartree
325	C31 Val(2p)	1.172340026	-0.060800509 Hartree
326	C31 Ryd(3p)	0.004848863	1.054174764 Hartree
327	C31 Val(2p)	1.032841688	-0.088655756 Hartree
328	C31 Ryd(3p)	0.001833826	0.703084319 Hartree
329	C31 Val(2p)	1.052391212	-0.049959139 Hartree
330	C31 Ryd(3p)	0.003791306	0.683288456 Hartree
331	C31 Ryd(3d)	0.000553053	2.012848845 Hartree
332	C31 Ryd(3d)	0.000552781	2.276435631 Hartree
333	C31 Ryd(3d)	0.000464658	2.224641616 Hartree
334	C31 Ryd(3d)	0.000570123	2.074828418 Hartree
335	C31 Ryd(3d)	0.000642000	2.207103261 Hartree
336	C32 Cor(1S)	1.999095415	-10.050058848 Hartree
337	C32 Val(2S)	0.964188401	-0.174576974 Hartree
338	C32 Ryd(3S)	0.000516471	1.254560787 Hartree
339	C32 Ryd(4S)	0.000032671	3.948543403 Hartree
340	C32 Val(2p)	1.062964197	-0.045273467 Hartree
341	C32 Ryd(3p)	0.004098769	0.704852216 Hartree
342	C32 Val(2p)	1.045822388	-0.091752967 Hartree
343	C32 Ryd(3p)	0.001920295	0.750744116 Hartree
344	C32 Val(2p)	1.142285806	-0.064365559 Hartree
345	C32 Ryd(3p)	0.004179028	0.973082498 Hartree
346	C32 Ryd(3d)	0.000522116	2.126563720 Hartree
347	C32 Ryd(3d)	0.000597101	2.290046070 Hartree
348	C32 Ryd(3d)	0.000627271	2.075886177 Hartree
349	C32 Ryd(3d)	0.000447787	2.186852584 Hartree
350	C32 Ryd(3d)	0.000591010	2.091464820 Hartree
351	C33 Cor(1S)	1.999090720	-10.048530217 Hartree
352	C33 Val(2S)	0.960559564	-0.172014449 Hartree
353	C33 Ryd(3S)	0.000590874	1.263850047 Hartree
354	C33 Ryd(4S)	0.000033028	3.946006659 Hartree
355	C33 Val(2p)	1.122157488	-0.054259577 Hartree
356	C33 Ryd(3p)	0.004591960	0.897140070 Hartree
357	C33 Val(2p)	1.017249163	-0.085820616 Hartree
358	C33 Ryd(3p)	0.001702068	0.647420954 Hartree
359	C33 Val(2p)	1.117515052	-0.059930891 Hartree
360	C33 Ryd(3p)	0.004208603	0.897230865 Hartree
361	C33 Ryd(3d)	0.000433537	2.107491092 Hartree
362	C33 Ryd(3d)	0.000845113	2.232726607 Hartree
363	C33 Ryd(3d)	0.000415493	2.177079102 Hartree
364	C33 Ryd(3d)	0.000554760	2.154904325 Hartree
365	C33 Ryd(3d)	0.000532299	2.125927004 Hartree
366	C34 Cor(1S)	1.999031905	-10.046852269 Hartree
367	C34 Val(2S)	0.951691442	-0.163419810 Hartree
368	C34 Ryd(3S)	0.000655610	1.219467671 Hartree
369	C34 Ryd(4S)	0.000045082	4.095931516 Hartree
370	C34 Val(2p)	1.169387411	-0.061239309 Hartree
371	C34 Ryd(3p)	0.004770812	1.056657201 Hartree
372	C34 Val(2p)	1.032556104	-0.090911890 Hartree
373	C34 Ryd(3p)	0.001619305	0.788882355 Hartree
374	C34 Val(2p)	1.042354735	-0.050944862 Hartree
375	C34 Ryd(3p)	0.003020889	0.729783465 Hartree
376	C34 Ryd(3d)	0.000544885	2.059282828 Hartree
377	C34 Ryd(3d)	0.000559455	2.291847367 Hartree
378	C34 Ryd(3d)	0.000462364	2.248256470 Hartree
379	C34 Ryd(3d)	0.000566533	2.120327633 Hartree
380	C34 Ryd(3d)	0.000636196	2.229136739 Hartree
381	H35 Val(1S)	0.753815468	0.096457031 Hartree
382	H35 Ryd(2S)	0.000973932	0.609847930 Hartree
383	H36 Val(1S)	0.759573123	0.092512172 Hartree
384	H36 Ryd(2S)	0.000846164	0.561604344 Hartree
385	H37 Val(1S)	0.761345218	0.091244250 Hartree
386	H37 Ryd(2S)	0.000826325	0.560313771 Hartree
387	H38 Val(1S)	0.759262517	0.092983855 Hartree
388	H38 Ryd(2S)	0.000847664	0.562069487 Hartree
389	H39 Val(1S)	0.751837716	0.099253275 Hartree
390	H39 Ryd(2S)	0.000907909	0.591755984 Hartree
391	C40 Cor(1S)	1.999013840	-10.043404306 Hartree
392	C40 Val(2S)	0.869743693	-0.119709950 Hartree
393	C40 Ryd(3S)	0.000665436	1.114386171 Hartree
394	C40 Ryd(4S)	0.000066765	4.168989447 Hartree
395	C40 Val(2p)	1.039058384	-0.076977372 Hartree
396	C40 Ryd(3p)	0.001742242	0.820613311 Hartree
397	C40 Val(2p)	1.074866402	-0.035732054 Hartree
398	C40 Ryd(3p)	0.005035874	1.182430865 Hartree
399	C40 Val(2p)	1.075973968	-0.058897509 Hartree
400	C40 Ryd(3p)	0.004935340	0.999361431 Hartree
401	C40 Ryd(3d)	0.000596111	2.154166395 Hartree
402	C40 Ryd(3d)	0.000450479	2.333843038 Hartree
403	C40 Ryd(3d)	0.000643396	2.373000271 Hartree
404	C40 Ryd(3d)	0.000598329	2.344428744 Hartree
405	C40 Ryd(3d)	0.000586255	2.190024276 Hartree
406	C41 Cor(1S)	1.999059282	-10.033353903 Hartree
407	C41 Val(2S)	0.953010607	-0.150082532 Hartree
408	C41 Ryd(3S)	0.000668914	1.195759315 Hartree
409	C41 Ryd(4S)	0.000048345	4.069796054 Hartree
410	C41 Val(2p)	1.011537224	-0.071425265 Hartree
411	C41 Ryd(3p)	0.002215155	0.716251199 Hartree
412	C41 Val(2p)	1.169106802	-0.042141279 Hartree
413	C41 Ryd(3p)	0.004424630	1.077670175 Hartree
414	C41 Val(2p)	1.055177170	-0.044762895 Hartree
415	C41 Ryd(3p)	0.003087171	0.788052921 Hartree
416	C41 Ryd(3d)	0.000529829	2.042359945 Hartree
417	C41 Ryd(3d)	0.000433044	2.318019499 Hartree
418	C41 Ryd(3d)	0.000685995	2.276927230 Hartree
419	C41 Ryd(3d)	0.000603754	2.242516676 Hartree
420	C41 Ryd(3d)	0.000523986	2.113771662 Hartree
421	C42 Cor(1S)	1.999096438	-10.036612411 Hartree
422	C42 Val(2S)	0.960613990	-0.160223241 Hartree
423	C42 Ryd(3S)	0.000590087	1.284133651 Hartree
424	C42 Ryd(4S)	0.000033909	3.948469418 Hartree
425	C42 Val(2p)	1.060303390	-0.079390576 Hartree
426	C42 Ryd(3p)	0.002027989	0.784787702 Hartree
427	C42 Val(2p)	1.063812276	-0.025779889 Hartree
428	C42 Ryd(3p)	0.004503531	0.705230277 Hartree
429	C42 Val(2p)	1.136837426	-0.060229900 Hartree
430	C42 Ryd(3p)	0.003842428	0.986196103 Hartree
431	C42 Ryd(3d)	0.000551725	2.095866906 Hartree
432	C42 Ryd(3d)	0.000636438	2.161011344 Hartree
433	C42 Ryd(3d)	0.000599154	2.267020085 Hartree
434	C42 Ryd(3d)	0.000463587	2.317210559 Hartree
435	C42 Ryd(3d)	0.000534077	2.012300927 Hartree
436	C43 Cor(1S)	1.999093451	-10.039080336 Hartree
437	C43 Val(2S)	0.963426742	-0.163555463 Hartree
438	C43 Ryd(3S)	0.000514322	1.269492347 Hartree
439	C43 Ryd(4S)	0.000032473	3.954306069 Hartree
440	C43 Val(2p)	1.025699233	-0.076184126 Hartree
441	C43 Ryd(3p)	0.001905241	0.685625497 Hartree
442	C43 Val(2p)	1.166739038	-0.042631751 Hartree
443	C43 Ryd(3p)	0.004920575	1.033095650 Hartree
444	C43 Val(2p)	1.060867251	-0.050916942 Hartree
445	C43 Ryd(3p)	0.003371885	0.738315174 Hartree
446	C43 Ryd(3d)	0.000519829	2.002092062 Hartree
447	C43 Ryd(3d)	0.000422816	2.299007070 Hartree
448	C43 Ryd(3d)	0.000657686	2.222469671 Hartree
449	C43 Ryd(3d)	0.000617983	2.205952805 Hartree
450	C43 Ryd(3d)	0.000564035	2.094252836 Hartree
451	C44 Cor(1S)	1.999092941	-10.037548085 Hartree
452	C44 Val(2S)	0.959854156	-0.161083593 Hartree
453	C44 Ryd(3S)	0.000586714	1.284086717 Hartree
454	C44 Ryd(4S)	0.000033792	3.945902296 Hartree
455	C44 Val(2p)	1.031090220	-0.075604131 Hartree
456	C44 Ryd(3p)	0.001928276	0.688553491 Hartree
457	C44 Val(2p)	1.159564462	-0.040689463 Hartree
458	C44 Ryd(3p)	0.005063625	1.008604604 Hartree
459	C44 Val(2p)	1.071954851	-0.052792036 Hartree
460	C44 Ryd(3p)	0.003404693	0.774164279 Hartree
461	C44 Ryd(3d)	0.000512389	2.025758847 Hartree
462	C44 Ryd(3d)	0.000423853	2.294923824 Hartree
463	C44 Ryd(3d)	0.000715809	2.216514875 Hartree
464	C44 Ryd(3d)	0.000601932	2.221925920 Hartree
465	C44 Ryd(3d)	0.000531928	2.087623383 Hartree
466	C45 Cor(1S)	1.999053097	-10.035382188 Hartree
467	C45 Val(2S)	0.951125546	-0.151851823 Hartree
468	C45 Ryd(3S)	0.000670223	1.212125697 Hartree
469	C45 Ryd(4S)	0.000049314	4.079523516 Hartree
470	C45 Val(2p)	1.056460181	-0.079602552 Hartree
471	C45 Ryd(3p)	0.001999493	0.815950846 Hartree
472	C45 Val(2p)	1.055319354	-0.024493633 Hartree
473	C45 Ryd(3p)	0.003549667	0.771019471 Hartree
474	C45 Val(2p)	1.131070260	-0.062279922 Hartree
475	C45 Ryd(3p)	0.003643317	1.016191126 Hartree
476	C45 Ryd(3d)	0.000572582	2.112621820 Hartree
477	C45 Ryd(3d)	0.000632207	2.216048115 Hartree
478	C45 Ryd(3d)	0.000581499	2.283862317 Hartree
479	C45 Ryd(3d)	0.000471277	2.333444005 Hartree
480	C45 Ryd(3d)	0.000512373	2.039996224 Hartree
481	H46 Val(1S)	0.757224304	0.105937724 Hartree
482	H46 Ryd(2S)	0.000997187	0.646648670 Hartree
483	H47 Val(1S)	0.762759743	0.099657848 Hartree
484	H47 Ryd(2S)	0.000869437	0.570326346 Hartree
485	H48 Val(1S)	0.764087983	0.098988733 Hartree
486	H48 Ryd(2S)	0.000844838	0.569040515 Hartree
487	H49 Val(1S)	0.761941371	0.101972575 Hartree
488	H49 Ryd(2S)	0.000851736	0.572083330 Hartree
489	H50 Val(1S)	0.748868707	0.117105169 Hartree
490	H50 Ryd(2S)	0.001402823	0.622210940 Hartree

Natural Hybrid Orbitals

Display Range		- / 490
Orbital	Description	Occupancy	Energy	Actions
1	BD(1)C1(C2) 1s(36.54%)p1.74(63.42%)d0.00(0.04%)	0.991536257	-0.034807676 Hartree
2	BD(1)C2(C1) 2s(36.56%)p1.73(63.40%)d0.00(0.04%)	1.000026734	-0.041130479 Hartree
3	BD(2)C1(C2) 1s(0.00%)p1.00(99.94%)d0.00(0.05%)	1.032210347	-0.102999274 Hartree
4	BD(2)C2(C1) 2s(0.02%)p99.99(99.92%)d3.08(0.06%)	0.962024993	-0.107999705 Hartree
5	BD(1)C1(C5) 1s(27.38%)p2.65(72.57%)d0.00(0.05%)	1.057332689	-0.105298702 Hartree
6	BD(1)C5(C1) 5s(34.52%)p1.90(65.43%)d0.00(0.06%)	0.983372858	-0.094146219 Hartree
7	BD(1)C1(C40) 1s(36.04%)p1.77(63.93%)d0.00(0.03%)	1.008834984	-0.081691873 Hartree
8	BD(1)C40(C1) 40s(31.81%)p2.14(68.15%)d0.00(0.04%)	0.992976911	-0.066552214 Hartree
9	BD(1)C2(C3) 2s(29.16%)p2.43(70.80%)d0.00(0.04%)	0.997631284	-0.094226396 Hartree
10	BD(1)C3(C2) 3s(29.16%)p2.43(70.80%)d0.00(0.04%)	0.997631284	-0.094226396 Hartree
11	BD(1)C2(C29) 2s(34.22%)p1.92(65.74%)d0.00(0.04%)	1.003658699	-0.091356327 Hartree
12	BD(1)C29(C2) 29s(31.76%)p2.15(68.20%)d0.00(0.04%)	1.000611478	-0.082768234 Hartree
13	BD(1)C3(C4) 3s(36.56%)p1.73(63.40%)d0.00(0.04%)	1.000026734	-0.041130479 Hartree
14	BD(1)C4(C3) 4s(36.54%)p1.74(63.42%)d0.00(0.04%)	0.991536257	-0.034807676 Hartree
15	BD(2)C3(C4) 3s(0.02%)p99.99(99.92%)d3.08(0.06%)	0.962024993	-0.107999705 Hartree
16	BD(2)C4(C3) 4s(0.00%)p1.00(99.94%)d0.00(0.05%)	1.032210347	-0.102999274 Hartree
17	BD(1)C3(C18) 3s(34.22%)p1.92(65.74%)d0.00(0.04%)	1.003658699	-0.091356327 Hartree
18	BD(1)C18(C3) 18s(31.76%)p2.15(68.20%)d0.00(0.04%)	1.000611478	-0.082768234 Hartree
19	BD(1)C4(C5) 4s(27.38%)p2.65(72.57%)d0.00(0.05%)	1.057332689	-0.105298702 Hartree
20	BD(1)C5(C4) 5s(34.52%)p1.90(65.43%)d0.00(0.06%)	0.983372858	-0.094146219 Hartree
21	BD(1)C4(C7) 4s(36.04%)p1.77(63.93%)d0.00(0.03%)	1.008834984	-0.081691873 Hartree
22	BD(1)C7(C4) 7s(31.81%)p2.14(68.15%)d0.00(0.04%)	0.992976911	-0.066552214 Hartree
23	BD(1)C5(O6) 5s(30.92%)p2.23(68.96%)d0.00(0.12%)	0.685291721	0.023550362 Hartree
24	BD(1)O6(C5) 6s(43.62%)p1.28(56.03%)d0.01(0.34%)	1.321191975	-0.514265234 Hartree
25	BD(2)C5(O6) 5s(0.00%)p1.00(99.86%)d0.00(0.14%)	0.748200217	-0.110225551 Hartree
26	BD(2)O6(C5) 6s(0.00%)p1.00(99.68%)d0.00(0.32%)	1.327708908	-0.245507883 Hartree
27	BD(1)C7(C8) 7s(33.94%)p1.95(66.03%)d0.00(0.03%)	1.026141664	-0.062834876 Hartree
28	BD(1)C8(C7) 8s(34.50%)p1.90(65.46%)d0.00(0.04%)	0.969961979	-0.031970618 Hartree
29	BD(2)C7(C8) 7s(0.01%)p1.00(99.97%)d0.00(0.02%)	1.018000748	-0.092050294 Hartree
30	BD(2)C8(C7) 8s(0.01%)p1.00(99.95%)d0.00(0.04%)	0.977521768	-0.091108402 Hartree
31	BD(1)C7(C12) 7s(34.22%)p1.92(65.75%)d0.00(0.03%)	1.023954436	-0.063275215 Hartree
32	BD(1)C12(C7) 12s(34.62%)p1.89(65.34%)d0.00(0.04%)	0.972228962	-0.034173978 Hartree
33	BD(1)C8(C9) 8s(35.47%)p1.82(64.49%)d0.00(0.04%)	0.999465302	-0.041891417 Hartree
34	BD(1)C9(C8) 9s(35.28%)p1.83(64.68%)d0.00(0.04%)	0.995231567	-0.040040670 Hartree
35	BD(1)C8(H17) 8s(29.98%)p2.33(69.96%)d0.00(0.05%)	1.245508301	-0.126276343 Hartree
36	BD(1)H17(C8) 17s(100.00%)	0.748864617	0.118369907 Hartree
37	BD(1)C9(C10) 9s(35.17%)p1.84(64.79%)d0.00(0.04%)	0.998502344	-0.044835112 Hartree
38	BD(1)C10(C9) 10s(35.20%)p1.84(64.76%)d0.00(0.04%)	0.998456632	-0.044116030 Hartree
39	BD(2)C9(C10) 9s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.999682693	-0.094392246 Hartree
40	BD(2)C10(C9) 10s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.994216332	-0.096018148 Hartree
41	BD(1)C9(H16) 9s(29.52%)p2.39(70.43%)d0.00(0.05%)	1.232732669	-0.128357409 Hartree
42	BD(1)H16(C9) 16s(100.00%)	0.761939914	0.102714177 Hartree
43	BD(1)C10(C11) 10s(35.08%)p1.85(64.88%)d0.00(0.04%)	0.997167805	-0.044659045 Hartree
44	BD(1)C11(C10) 11s(35.13%)p1.85(64.83%)d0.00(0.04%)	0.999581705	-0.046623230 Hartree
45	BD(1)C10(H15) 10s(29.68%)p2.37(70.27%)d0.00(0.05%)	1.231516455	-0.130527187 Hartree
46	BD(1)H15(C10) 15s(100.00%)	0.764086517	0.099731771 Hartree
47	BD(1)C11(C12) 11s(35.33%)p1.83(64.63%)d0.00(0.04%)	0.993681913	-0.040305915 Hartree
48	BD(1)C12(C11) 12s(35.67%)p1.80(64.29%)d0.00(0.04%)	1.000701958	-0.043864432 Hartree
49	BD(2)C11(C12) 11s(0.00%)p1.00(99.96%)d0.00(0.04%)	1.001856588	-0.095563370 Hartree
50	BD(2)C12(C11) 12s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.988208701	-0.094755681 Hartree
51	BD(1)C11(H14) 11s(29.50%)p2.39(70.45%)d0.00(0.05%)	1.231919574	-0.129698410 Hartree
52	BD(1)H14(C11) 14s(100.00%)	0.762758264	0.100404522 Hartree
53	BD(1)C12(H13) 12s(29.67%)p2.37(70.28%)d0.00(0.05%)	1.236597381	-0.128341058 Hartree
54	BD(1)H13(C12) 13s(100.00%)	0.757222204	0.106839290 Hartree
55	BD(1)C18(C19) 18s(34.13%)p1.93(65.83%)d0.00(0.03%)	1.024525372	-0.075992604 Hartree
56	BD(1)C19(C18) 19s(34.70%)p1.88(65.26%)d0.00(0.04%)	0.971449449	-0.045516247 Hartree
57	BD(2)C18(C19) 18s(0.01%)p99.99(99.96%)d2.15(0.03%)	1.020968241	-0.105508321 Hartree
58	BD(2)C19(C18) 19s(0.01%)p1.00(99.95%)d0.00(0.04%)	0.986472204	-0.105845837 Hartree
59	BD(1)C18(C23) 18s(34.06%)p1.93(65.91%)d0.00(0.03%)	1.025147959	-0.075424065 Hartree
60	BD(1)C23(C18) 23s(34.65%)p1.89(65.31%)d0.00(0.04%)	0.969004344	-0.044242988 Hartree
61	BD(1)C19(C20) 19s(35.54%)p1.81(64.42%)d0.00(0.04%)	1.002016378	-0.056672032 Hartree
62	BD(1)C20(C19) 20s(35.20%)p1.84(64.76%)d0.00(0.04%)	0.992086267	-0.051446859 Hartree
63	BD(1)C19(H28) 19s(29.71%)p2.36(70.24%)d0.00(0.05%)	1.239834248	-0.141469962 Hartree
64	BD(1)H28(C19) 28s(100.00%)	0.753813230	0.097382736 Hartree
65	BD(1)C20(C21) 20s(35.16%)p1.84(64.80%)d0.00(0.04%)	0.999326610	-0.056658070 Hartree
66	BD(1)C21(C20) 21s(35.14%)p1.84(64.82%)d0.00(0.04%)	0.997350857	-0.055033085 Hartree
67	BD(2)C20(C21) 20s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.995860928	-0.105675745 Hartree
68	BD(2)C21(C20) 21s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.991010864	-0.106452592 Hartree
69	BD(1)C20(H27) 20s(29.60%)p2.38(70.35%)d0.00(0.05%)	1.234816527	-0.140273728 Hartree
70	BD(1)H27(C20) 27s(100.00%)	0.759571662	0.093256106 Hartree
71	BD(1)C21(C22) 21s(35.10%)p1.85(64.86%)d0.00(0.04%)	0.997613349	-0.055487644 Hartree
72	BD(1)C22(C21) 22s(35.10%)p1.85(64.86%)d0.00(0.04%)	0.999110022	-0.056744312 Hartree
73	BD(1)C21(H26) 21s(29.72%)p2.36(70.23%)d0.00(0.05%)	1.233925567	-0.141005285 Hartree
74	BD(1)H26(C21) 26s(100.00%)	0.761343744	0.091991185 Hartree
75	BD(1)C22(C23) 22s(35.26%)p1.84(64.70%)d0.00(0.04%)	0.993271192	-0.050933049 Hartree
76	BD(1)C23(C22) 23s(35.55%)p1.81(64.41%)d0.00(0.04%)	1.001075920	-0.055288991 Hartree
77	BD(2)C22(C23) 22s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.995816356	-0.105507930 Hartree
78	BD(2)C23(C22) 23s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.984751951	-0.105501856 Hartree
79	BD(1)C22(H25) 22s(29.61%)p2.38(70.34%)d0.00(0.05%)	1.235066666	-0.140116174 Hartree
80	BD(1)H25(C22) 25s(100.00%)	0.759261028	0.093735192 Hartree
81	BD(1)C23(H24) 23s(29.76%)p2.36(70.19%)d0.00(0.05%)	1.241855425	-0.140678291 Hartree
82	BD(1)H24(C23) 24s(100.00%)	0.751835700	0.100128240 Hartree
83	BD(1)C29(C30) 29s(34.06%)p1.93(65.91%)d0.00(0.03%)	1.025147959	-0.075424065 Hartree
84	BD(1)C30(C29) 30s(34.65%)p1.89(65.31%)d0.00(0.04%)	0.969004344	-0.044242988 Hartree
85	BD(1)C29(C34) 29s(34.13%)p1.93(65.83%)d0.00(0.03%)	1.024525372	-0.075992604 Hartree
86	BD(1)C34(C29) 34s(34.70%)p1.88(65.26%)d0.00(0.04%)	0.971449449	-0.045516247 Hartree
87	BD(2)C29(C34) 29s(0.01%)p99.99(99.96%)d2.15(0.03%)	1.020968241	-0.105508321 Hartree
88	BD(2)C34(C29) 34s(0.01%)p1.00(99.95%)d0.00(0.04%)	0.986472204	-0.105845837 Hartree
89	BD(1)C30(C31) 30s(35.55%)p1.81(64.41%)d0.00(0.04%)	1.001075920	-0.055288991 Hartree
90	BD(1)C31(C30) 31s(35.26%)p1.84(64.70%)d0.00(0.04%)	0.993271192	-0.050933049 Hartree
91	BD(2)C30(C31) 30s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.984751951	-0.105501856 Hartree
92	BD(2)C31(C30) 31s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.995816356	-0.105507930 Hartree
93	BD(1)C30(H39) 30s(29.76%)p2.36(70.19%)d0.00(0.05%)	1.241855425	-0.140678291 Hartree
94	BD(1)H39(C30) 39s(100.00%)	0.751835700	0.100128240 Hartree
95	BD(1)C31(C32) 31s(35.10%)p1.85(64.86%)d0.00(0.04%)	0.999110022	-0.056744312 Hartree
96	BD(1)C32(C31) 32s(35.10%)p1.85(64.86%)d0.00(0.04%)	0.997613349	-0.055487644 Hartree
97	BD(1)C31(H38) 31s(29.61%)p2.38(70.34%)d0.00(0.05%)	1.235066666	-0.140116174 Hartree
98	BD(1)H38(C31) 38s(100.00%)	0.759261028	0.093735192 Hartree
99	BD(1)C32(C33) 32s(35.14%)p1.84(64.82%)d0.00(0.04%)	0.997350857	-0.055033085 Hartree
100	BD(1)C33(C32) 33s(35.16%)p1.84(64.80%)d0.00(0.04%)	0.999326610	-0.056658070 Hartree
101	BD(2)C32(C33) 32s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.991010864	-0.106452592 Hartree
102	BD(2)C33(C32) 33s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.995860928	-0.105675745 Hartree
103	BD(1)C32(H37) 32s(29.72%)p2.36(70.23%)d0.00(0.05%)	1.233925567	-0.141005285 Hartree
104	BD(1)H37(C32) 37s(100.00%)	0.761343744	0.091991185 Hartree
105	BD(1)C33(C34) 33s(35.20%)p1.84(64.76%)d0.00(0.04%)	0.992086267	-0.051446859 Hartree
106	BD(1)C34(C33) 34s(35.54%)p1.81(64.42%)d0.00(0.04%)	1.002016378	-0.056672032 Hartree
107	BD(1)C33(H36) 33s(29.60%)p2.38(70.35%)d0.00(0.05%)	1.234816527	-0.140273728 Hartree
108	BD(1)H36(C33) 36s(100.00%)	0.759571662	0.093256106 Hartree
109	BD(1)C34(H35) 34s(29.71%)p2.36(70.24%)d0.00(0.05%)	1.239834248	-0.141469962 Hartree
110	BD(1)H35(C34) 35s(100.00%)	0.753813230	0.097382736 Hartree
111	BD(1)C40(C41) 40s(33.94%)p1.95(66.03%)d0.00(0.03%)	1.026141664	-0.062834876 Hartree
112	BD(1)C41(C40) 41s(34.50%)p1.90(65.46%)d0.00(0.04%)	0.969961979	-0.031970618 Hartree
113	BD(2)C40(C41) 40s(0.01%)p1.00(99.97%)d0.00(0.02%)	1.018000748	-0.092050294 Hartree
114	BD(2)C41(C40) 41s(0.01%)p1.00(99.95%)d0.00(0.04%)	0.977521768	-0.091108402 Hartree
115	BD(1)C40(C45) 40s(34.22%)p1.92(65.75%)d0.00(0.03%)	1.023954436	-0.063275215 Hartree
116	BD(1)C45(C40) 45s(34.62%)p1.89(65.34%)d0.00(0.04%)	0.972228962	-0.034173978 Hartree
117	BD(1)C41(C42) 41s(35.47%)p1.82(64.49%)d0.00(0.04%)	0.999465302	-0.041891417 Hartree
118	BD(1)C42(C41) 42s(35.28%)p1.83(64.68%)d0.00(0.04%)	0.995231567	-0.040040670 Hartree
119	BD(1)C41(H50) 41s(29.98%)p2.33(69.96%)d0.00(0.05%)	1.245508301	-0.126276343 Hartree
120	BD(1)H50(C41) 50s(100.00%)	0.748864617	0.118369907 Hartree
121	BD(1)C42(C43) 42s(35.17%)p1.84(64.79%)d0.00(0.04%)	0.998502344	-0.044835112 Hartree
122	BD(1)C43(C42) 43s(35.20%)p1.84(64.76%)d0.00(0.04%)	0.998456632	-0.044116030 Hartree
123	BD(2)C42(C43) 42s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.999682693	-0.094392246 Hartree
124	BD(2)C43(C42) 43s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.994216332	-0.096018148 Hartree
125	BD(1)C42(H49) 42s(29.52%)p2.39(70.43%)d0.00(0.05%)	1.232732669	-0.128357409 Hartree
126	BD(1)H49(C42) 49s(100.00%)	0.761939914	0.102714177 Hartree
127	BD(1)C43(C44) 43s(35.08%)p1.85(64.88%)d0.00(0.04%)	0.997167805	-0.044659045 Hartree
128	BD(1)C44(C43) 44s(35.13%)p1.85(64.83%)d0.00(0.04%)	0.999581705	-0.046623230 Hartree
129	BD(1)C43(H48) 43s(29.68%)p2.37(70.27%)d0.00(0.05%)	1.231516455	-0.130527187 Hartree
130	BD(1)H48(C43) 48s(100.00%)	0.764086517	0.099731771 Hartree
131	BD(1)C44(C45) 44s(35.33%)p1.83(64.63%)d0.00(0.04%)	0.993681913	-0.040305915 Hartree
132	BD(1)C45(C44) 45s(35.67%)p1.80(64.29%)d0.00(0.04%)	1.000701958	-0.043864432 Hartree
133	BD(2)C44(C45) 44s(0.00%)p1.00(99.96%)d0.00(0.04%)	1.001856588	-0.095563370 Hartree
134	BD(2)C45(C44) 45s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.988208701	-0.094755681 Hartree
135	BD(1)C44(H47) 44s(29.50%)p2.39(70.45%)d0.00(0.05%)	1.231919574	-0.129698410 Hartree
136	BD(1)H47(C44) 47s(100.00%)	0.762758264	0.100404522 Hartree
137	BD(1)C45(H46) 45s(29.67%)p2.37(70.28%)d0.00(0.05%)	1.236597381	-0.128341058 Hartree
138	BD(1)H46(C45) 46s(100.00%)	0.757222204	0.106839290 Hartree
139	CR(1)C1 s(100.00%)p0.00(0.00%)	1.998813198	-10.044431454 Hartree
140	CR(1)C2 s(100.00%)	1.998896630	-10.062180038 Hartree
141	CR(1)C3 s(100.00%)	1.998896630	-10.062180038 Hartree
142	CR(1)C4 s(100.00%)p0.00(0.00%)	1.998813198	-10.044431454 Hartree
143	CR(1)C5 s(100.00%)	1.999246103	-10.146602037 Hartree
144	CR(1)O6 s(100.00%)p0.00(0.00%)	1.999789791	-18.880316745 Hartree
145	CR(1)C7 s(100.00%)	1.999012953	-10.043737313 Hartree
146	CR(1)C8 s(100.00%)p0.00(0.00%)	1.999062843	-10.033686331 Hartree
147	CR(1)C9 s(100.00%)p0.00(0.00%)	1.999099820	-10.036967411 Hartree
148	CR(1)C10 s(100.00%)p0.00(0.00%)	1.999096577	-10.039455721 Hartree
149	CR(1)C11 s(100.00%)p0.00(0.00%)	1.999096381	-10.037903392 Hartree
150	CR(1)C12 s(100.00%)p0.00(0.00%)	1.999056640	-10.035714710 Hartree
151	CR(1)C18 s(100.00%)	1.998998707	-10.051825284 Hartree
152	CR(1)C19 s(100.00%)p0.00(0.00%)	1.999035818	-10.047163246 Hartree
153	CR(1)C20 s(100.00%)p0.00(0.00%)	1.999094171	-10.048886782 Hartree
154	CR(1)C21 s(100.00%)p0.00(0.00%)	1.999098524	-10.050434020 Hartree
155	CR(1)C22 s(100.00%)p0.00(0.00%)	1.999094833	-10.048581546 Hartree
156	CR(1)C23 s(100.00%)p0.00(0.00%)	1.999036318	-10.046403804 Hartree
157	CR(1)C29 s(100.00%)	1.998998707	-10.051825284 Hartree
158	CR(1)C30 s(100.00%)p0.00(0.00%)	1.999036318	-10.046403804 Hartree
159	CR(1)C31 s(100.00%)p0.00(0.00%)	1.999094833	-10.048581546 Hartree
160	CR(1)C32 s(100.00%)p0.00(0.00%)	1.999098524	-10.050434020 Hartree
161	CR(1)C33 s(100.00%)p0.00(0.00%)	1.999094171	-10.048886782 Hartree
162	CR(1)C34 s(100.00%)p0.00(0.00%)	1.999035818	-10.047163246 Hartree
163	CR(1)C40 s(100.00%)	1.999012953	-10.043737313 Hartree
164	CR(1)C41 s(100.00%)p0.00(0.00%)	1.999062843	-10.033686331 Hartree
165	CR(1)C42 s(100.00%)p0.00(0.00%)	1.999099820	-10.036967411 Hartree
166	CR(1)C43 s(100.00%)p0.00(0.00%)	1.999096577	-10.039455721 Hartree
167	CR(1)C44 s(100.00%)p0.00(0.00%)	1.999096381	-10.037903392 Hartree
168	CR(1)C45 s(100.00%)p0.00(0.00%)	1.999056640	-10.035714710 Hartree
169	LP(1)O6 s(56.34%)p0.77(43.61%)d0.00(0.05%)	1.977211330	-0.683646940 Hartree
170	LP(2)O6 s(0.00%)p1.00(99.78%)d0.00(0.22%)	1.874189609	-0.262526816 Hartree
171	RY*(1)C1 s(0.01%)p1.00(96.77%)d0.03(3.22%)	0.006180640	1.079041854 Hartree
172	RY*(2)C1 s(7.57%)p11.60(87.84%)d0.61(4.58%)	0.003923072	1.358851824 Hartree
173	RY*(3)C1 s(0.79%)p99.99(92.17%)d8.89(7.04%)	0.001758057	0.860014348 Hartree
174	RY*(4)C1 s(74.12%)p0.06(4.69%)d0.29(21.18%)	0.000751838	1.339003616 Hartree
175	RY*(5)C1 s(14.95%)p0.49(7.38%)d5.19(77.67%)	0.000554705	1.885853992 Hartree
176	RY*(6)C1 s(1.83%)p0.45(0.83%)d53.13(97.34%)	0.000188800	2.061278857 Hartree
177	RY*(7)C1 s(5.68%)p0.97(5.49%)d15.64(88.83%)	0.000153856	2.306488466 Hartree
178	RY*(8)C1 s(22.95%)p0.16(3.57%)d3.20(73.48%)	0.000080777	2.674920540 Hartree
179	RY*(9)C1 s(59.23%)p0.02(1.34%)d0.67(39.43%)	0.000059880	3.576476761 Hartree
180	RY*(10)C1 s(12.89%)p0.00(0.06%)d6.75(87.05%)	0.000021594	2.566202786 Hartree
181	RY*(1)C2 s(0.54%)p99.99(95.59%)d7.17(3.87%)	0.005471095	0.992993355 Hartree
182	RY*(2)C2 s(2.41%)p37.41(90.26%)d3.04(7.33%)	0.004135160	1.372878197 Hartree
183	RY*(3)C2 s(0.02%)p99.99(94.45%)d99.99(5.53%)	0.001902995	0.888449156 Hartree
184	RY*(4)C2 s(77.34%)p0.05(3.48%)d0.25(19.18%)	0.000589174	1.257909803 Hartree
185	RY*(5)C2 s(0.96%)p1.78(1.71%)d99.99(97.33%)	0.000524466	2.139671341 Hartree
186	RY*(6)C2 s(18.12%)p0.13(2.29%)d4.39(79.59%)	0.000467794	1.849319406 Hartree
187	RY*(7)C2 s(7.64%)p0.87(6.67%)d11.22(85.69%)	0.000157503	2.476300371 Hartree
188	RY*(8)C2 s(17.68%)p0.19(3.40%)d4.46(78.93%)	0.000069779	2.527999033 Hartree
189	RY*(9)C2 s(48.49%)p0.04(1.94%)d1.02(49.57%)	0.000046724	3.313717609 Hartree
190	RY*(10)C2 s(26.85%)p0.01(0.34%)d2.71(72.81%)	0.000026345	2.789409738 Hartree
191	RY*(1)C3 s(0.54%)p99.99(95.59%)d7.17(3.87%)	0.005471095	0.992993355 Hartree
192	RY*(2)C3 s(2.41%)p37.41(90.26%)d3.04(7.33%)	0.004135160	1.372878197 Hartree
193	RY*(3)C3 s(0.02%)p99.99(94.45%)d99.99(5.53%)	0.001902995	0.888449156 Hartree
194	RY*(4)C3 s(77.34%)p0.05(3.48%)d0.25(19.18%)	0.000589174	1.257909803 Hartree
195	RY*(5)C3 s(0.96%)p1.78(1.71%)d99.99(97.33%)	0.000524466	2.139671341 Hartree
196	RY*(6)C3 s(18.12%)p0.13(2.29%)d4.39(79.59%)	0.000467794	1.849319406 Hartree
197	RY*(7)C3 s(7.64%)p0.87(6.67%)d11.22(85.69%)	0.000157503	2.476300371 Hartree
198	RY*(8)C3 s(17.68%)p0.19(3.40%)d4.46(78.93%)	0.000069779	2.527999034 Hartree
199	RY*(9)C3 s(48.49%)p0.04(1.94%)d1.02(49.57%)	0.000046724	3.313717611 Hartree
200	RY*(10)C3 s(26.85%)p0.01(0.34%)d2.71(72.81%)	0.000026345	2.789409736 Hartree
201	RY*(1)C4 s(0.01%)p1.00(96.77%)d0.03(3.22%)	0.006180640	1.079041854 Hartree
202	RY*(2)C4 s(7.57%)p11.60(87.84%)d0.61(4.58%)	0.003923072	1.358851824 Hartree
203	RY*(3)C4 s(0.79%)p99.99(92.17%)d8.89(7.04%)	0.001758057	0.860014348 Hartree
204	RY*(4)C4 s(74.12%)p0.06(4.69%)d0.29(21.18%)	0.000751838	1.339003616 Hartree
205	RY*(5)C4 s(14.95%)p0.49(7.38%)d5.19(77.67%)	0.000554705	1.885853992 Hartree
206	RY*(6)C4 s(1.83%)p0.45(0.83%)d53.13(97.34%)	0.000188800	2.061278857 Hartree
207	RY*(7)C4 s(5.68%)p0.97(5.49%)d15.64(88.83%)	0.000153856	2.306488466 Hartree
208	RY*(8)C4 s(22.95%)p0.16(3.57%)d3.20(73.48%)	0.000080777	2.674920541 Hartree
209	RY*(9)C4 s(59.23%)p0.02(1.34%)d0.67(39.43%)	0.000059880	3.576476761 Hartree
210	RY*(10)C4 s(12.89%)p0.00(0.06%)d6.75(87.05%)	0.000021594	2.566202784 Hartree
211	RY*(1)C5 s(14.39%)p5.94(85.47%)d0.01(0.14%)	0.017056779	0.826881805 Hartree
212	RY*(2)C5 s(0.00%)p1.00(72.48%)d0.38(27.52%)	0.004477920	1.427013170 Hartree
213	RY*(3)C5 s(0.00%)p1.00(27.63%)d2.62(72.37%)	0.001904257	2.184806311 Hartree
214	RY*(4)C5 s(68.15%)p0.15(10.01%)d0.32(21.84%)	0.001786918	1.604267968 Hartree
215	RY*(5)C5 s(0.00%)p1.00(15.26%)d5.55(84.74%)	0.001301526	2.010080246 Hartree
216	RY*(6)C5 s(0.81%)p0.07(0.05%)d99.99(99.13%)	0.000624661	1.896378149 Hartree
217	RY*(7)C5 s(75.92%)p0.00(0.00%)d0.32(24.08%)	0.000184652	3.116117689 Hartree
218	RY*(8)C5 s(0.00%)p1.00(84.85%)d0.18(15.15%)	0.000137124	0.912314714 Hartree
219	RY*(9)C5 s(27.64%)p0.16(4.54%)d2.45(67.81%)	0.000102418	2.940629535 Hartree
220	RY*(10)C5 s(13.13%)p0.00(0.02%)d6.62(86.85%)	0.000021973	2.417829948 Hartree
221	RY*(1)O6 s(0.00%)p1.00(99.98%)d0.00(0.02%)	0.002663979	1.222661306 Hartree
222	RY*(2)O6 s(0.00%)p1.00(99.94%)d0.00(0.06%)	0.000428386	1.059038011 Hartree
223	RY*(3)O6 s(56.15%)p0.55(30.91%)d0.23(12.94%)	0.000333099	2.625742577 Hartree
224	RY*(4)O6 s(69.25%)p0.09(6.53%)d0.35(24.22%)	0.000140476	2.636318317 Hartree
225	RY*(5)O6 s(42.78%)p1.14(48.79%)d0.20(8.43%)	0.000087787	1.347883692 Hartree
226	RY*(6)O6 s(0.00%)p1.00(0.25%)d99.99(99.75%)	0.000040128	2.079733417 Hartree
227	RY*(7)O6 s(0.84%)p0.91(0.77%)d99.99(98.39%)	0.000033163	1.835324558 Hartree
228	RY*(8)O6 s(0.15%)p0.06(0.01%)d99.99(99.84%)	0.000009019	1.854400702 Hartree
229	RY*(9)O6 s(30.86%)p0.43(13.35%)d1.81(55.79%)	0.000014565	3.103635783 Hartree
230	RY*(10)O6 s(0.00%)p1.00(0.37%)d99.99(99.63%)	0.000002645	1.867327213 Hartree
231	RY*(1)C7 s(1.51%)p61.45(92.82%)d3.75(5.67%)	0.005452839	1.328624628 Hartree
232	RY*(2)C7 s(0.04%)p99.99(96.51%)d91.51(3.45%)	0.005113555	1.079393102 Hartree
233	RY*(3)C7 s(1.39%)p59.99(83.34%)d10.99(15.27%)	0.001413129	0.985507380 Hartree
234	RY*(4)C7 s(18.90%)p0.23(4.40%)d4.06(76.70%)	0.000666626	1.753082920 Hartree
235	RY*(5)C7 s(60.34%)p0.07(4.31%)d0.59(35.34%)	0.000601136	1.451484847 Hartree
236	RY*(6)C7 s(17.36%)p0.56(9.79%)d4.20(72.85%)	0.000357553	1.870214606 Hartree
237	RY*(7)C7 s(18.48%)p0.18(3.32%)d4.23(78.20%)	0.000112002	2.666621919 Hartree
238	RY*(8)C7 s(19.58%)p0.14(2.74%)d3.97(77.69%)	0.000104526	2.669456853 Hartree
239	RY*(9)C7 s(45.08%)p0.06(2.80%)d1.16(52.13%)	0.000050009	3.245744840 Hartree
240	RY*(10)C7 s(17.36%)p0.00(0.05%)d4.76(82.58%)	0.000018429	2.624841575 Hartree
241	RY*(1)C8 s(0.03%)p99.99(93.42%)d99.99(6.54%)	0.004722374	1.286912209 Hartree
242	RY*(2)C8 s(0.58%)p99.99(97.93%)d2.55(1.49%)	0.002889336	0.797742826 Hartree
243	RY*(3)C8 s(2.39%)p36.00(86.03%)d4.85(11.58%)	0.000853697	0.805217076 Hartree
244	RY*(4)C8 s(1.58%)p2.02(3.20%)d60.11(95.22%)	0.000613744	1.908905876 Hartree
245	RY*(5)C8 s(93.78%)p0.03(2.90%)d0.04(3.32%)	0.000305619	1.106977027 Hartree
246	RY*(6)C8 s(2.91%)p1.19(3.45%)d32.23(93.65%)	0.000098298	2.379550986 Hartree
247	RY*(7)C8 s(0.78%)p6.42(5.01%)d99.99(94.21%)	0.000038081	2.207808615 Hartree
248	RY*(8)C8 s(59.12%)p0.01(0.54%)d0.68(40.34%)	0.000044631	3.435772620 Hartree
249	RY*(9)C8 s(37.19%)p0.00(0.11%)d1.69(62.70%)	0.000011188	2.950878108 Hartree
250	RY*(10)C8 s(1.67%)p4.52(7.55%)d54.38(90.78%)	0.000014748	1.944526572 Hartree
251	RY*(1)C9 s(0.29%)p99.99(92.41%)d25.30(7.30%)	0.004839759	1.282815016 Hartree
252	RY*(2)C9 s(0.19%)p99.99(98.42%)d7.30(1.39%)	0.002873529	0.720854550 Hartree
253	RY*(3)C9 s(0.01%)p99.99(2.83%)d99.99(97.16%)	0.000635591	1.919824942 Hartree
254	RY*(4)C9 s(1.35%)p63.80(86.07%)d9.32(12.58%)	0.000410432	0.766842874 Hartree
255	RY*(5)C9 s(96.14%)p0.01(1.31%)d0.03(2.56%)	0.000264786	1.149934561 Hartree
256	RY*(6)C9 s(0.21%)p6.88(1.42%)d99.99(98.37%)	0.000103110	2.378067728 Hartree
257	RY*(7)C9 s(55.05%)p0.01(0.42%)d0.81(44.52%)	0.000045841	3.443439124 Hartree
258	RY*(8)C9 s(17.90%)p0.15(2.70%)d4.44(79.40%)	0.000009262	2.476191547 Hartree
259	RY*(9)C9 s(26.19%)p0.21(5.47%)d2.61(68.33%)	0.000007939	2.531749782 Hartree
260	RY*(10)C9 s(2.71%)p3.36(9.09%)d32.61(88.21%)	0.000007104	1.874863678 Hartree
261	RY*(1)C10 s(0.41%)p99.99(91.70%)d19.45(7.90%)	0.004696998	1.286460178 Hartree
262	RY*(2)C10 s(0.00%)p1.00(98.57%)d0.01(1.43%)	0.002687784	0.711236641 Hartree
263	RY*(3)C10 s(0.00%)p1.00(3.66%)d26.35(96.34%)	0.000621083	1.901968149 Hartree
264	RY*(4)C10 s(0.02%)p99.99(87.13%)d99.99(12.85%)	0.000512651	0.762301831 Hartree
265	RY*(5)C10 s(96.59%)p0.00(0.07%)d0.03(3.34%)	0.000211831	1.138583625 Hartree
266	RY*(6)C10 s(0.01%)p1.00(1.48%)d66.71(98.52%)	0.000102095	2.372349510 Hartree
267	RY*(7)C10 s(54.49%)p0.00(0.17%)d0.83(45.34%)	0.000046811	3.428185700 Hartree
268	RY*(8)C10 s(33.61%)p0.11(3.77%)d1.86(62.62%)	0.000006313	2.693771529 Hartree
269	RY*(9)C10 s(13.35%)p0.34(4.58%)d6.15(82.07%)	0.000008209	2.336286727 Hartree
270	RY*(10)C10 s(1.56%)p5.77(9.02%)d57.17(89.42%)	0.000004984	1.855872801 Hartree
271	RY*(1)C11 s(0.29%)p99.99(92.43%)d24.78(7.28%)	0.004866993	1.281049802 Hartree
272	RY*(2)C11 s(0.23%)p99.99(98.37%)d6.17(1.40%)	0.002879737	0.719053852 Hartree
273	RY*(3)C11 s(0.09%)p12.81(1.14%)d99.99(98.77%)	0.000631862	1.942094177 Hartree
274	RY*(4)C11 s(0.92%)p95.22(87.52%)d12.58(11.56%)	0.000414076	0.747994057 Hartree
275	RY*(5)C11 s(96.55%)p0.01(1.08%)d0.02(2.36%)	0.000260302	1.151148797 Hartree
276	RY*(6)C11 s(0.11%)p12.88(1.46%)d99.99(98.42%)	0.000101370	2.372304943 Hartree
277	RY*(7)C11 s(54.70%)p0.01(0.35%)d0.82(44.96%)	0.000045602	3.427762155 Hartree
278	RY*(8)C11 s(4.76%)p1.71(8.16%)d18.29(87.08%)	0.000010972	2.059803740 Hartree
279	RY*(9)C11 s(3.03%)p3.16(9.56%)d28.90(87.42%)	0.000004920	1.866723808 Hartree
280	RY*(10)C11 s(39.36%)p0.00(0.07%)d1.54(60.58%)	0.000007645	2.962499914 Hartree
281	RY*(1)C12 s(0.08%)p99.99(93.08%)d87.55(6.85%)	0.004708841	1.293189739 Hartree
282	RY*(2)C12 s(0.03%)p99.99(97.73%)d68.97(2.24%)	0.002440828	0.809402880 Hartree
283	RY*(3)C12 s(1.05%)p14.65(15.32%)d79.92(83.63%)	0.000637624	1.750594875 Hartree
284	RY*(4)C12 s(1.16%)p68.77(80.01%)d16.18(18.83%)	0.000579236	0.905016249 Hartree
285	RY*(5)C12 s(93.18%)p0.00(0.35%)d0.07(6.48%)	0.000334395	1.176092120 Hartree
286	RY*(6)C12 s(4.47%)p0.49(2.18%)d20.90(93.36%)	0.000095841	2.381355143 Hartree
287	RY*(7)C12 s(59.38%)p0.01(0.74%)d0.67(39.88%)	0.000046720	3.414464104 Hartree
288	RY*(8)C12 s(1.52%)p2.68(4.07%)d62.28(94.41%)	0.000043730	2.069598053 Hartree
289	RY*(9)C12 s(1.93%)p2.57(4.96%)d48.29(93.11%)	0.000014545	2.120675792 Hartree
290	RY*(10)C12 s(37.25%)p0.05(1.71%)d1.64(61.04%)	0.000014988	2.943633923 Hartree
291	RY*(1)H13 s(100.00%)	0.000999287	0.645747104 Hartree
292	RY*(1)H14 s(100.00%)	0.000870916	0.569579672 Hartree
293	RY*(1)H15 s(100.00%)	0.000846304	0.568297477 Hartree
294	RY*(1)H16 s(100.00%)	0.000853193	0.571341727 Hartree
295	RY*(1)H17 s(100.00%)	0.001406913	0.620946202 Hartree
296	RY*(1)C18 s(1.88%)p49.10(92.41%)d3.03(5.71%)	0.005470490	1.305815197 Hartree
297	RY*(2)C18 s(0.00%)p1.00(96.10%)d0.04(3.90%)	0.004125242	1.021022463 Hartree
298	RY*(3)C18 s(0.40%)p99.99(91.82%)d19.65(7.79%)	0.001810839	0.927996132 Hartree
299	RY*(4)C18 s(90.57%)p0.04(3.50%)d0.07(5.93%)	0.000717807	1.227798603 Hartree
300	RY*(5)C18 s(0.36%)p0.28(0.10%)d99.99(99.54%)	0.000675419	1.937379974 Hartree
301	RY*(6)C18 s(6.08%)p1.07(6.53%)d14.36(87.38%)	0.000396839	2.128137371 Hartree
302	RY*(7)C18 s(0.82%)p4.95(4.07%)d99.99(95.11%)	0.000129044	2.224088218 Hartree
303	RY*(8)C18 s(37.58%)p0.07(2.77%)d1.59(59.65%)	0.000100751	3.082042070 Hartree
304	RY*(9)C18 s(59.59%)p0.03(1.79%)d0.65(38.62%)	0.000040087	3.451947112 Hartree
305	RY*(10)C18 s(2.73%)p0.38(1.03%)d35.20(96.24%)	0.000042687	2.462203249 Hartree
306	RY*(1)C19 s(0.05%)p99.99(93.31%)d99.99(6.64%)	0.004817243	1.282486061 Hartree
307	RY*(2)C19 s(0.09%)p99.99(97.60%)d27.10(2.32%)	0.002451759	0.790130915 Hartree
308	RY*(3)C19 s(0.02%)p99.99(47.15%)d99.99(52.83%)	0.000727933	1.342690386 Hartree
309	RY*(4)C19 s(6.77%)p6.86(46.39%)d6.92(46.85%)	0.000558504	1.303410065 Hartree
310	RY*(5)C19 s(89.47%)p0.03(2.65%)d0.09(7.88%)	0.000316534	1.181839254 Hartree
311	RY*(6)C19 s(2.79%)p0.83(2.32%)d34.07(94.90%)	0.000095708	2.361717448 Hartree
312	RY*(7)C19 s(32.39%)p0.01(0.45%)d2.07(67.16%)	0.000050048	2.842161611 Hartree
313	RY*(8)C19 s(18.73%)p0.18(3.46%)d4.15(77.81%)	0.000044349	2.386644499 Hartree
314	RY*(9)C19 s(32.73%)p0.14(4.54%)d1.92(62.72%)	0.000022222	2.869448640 Hartree
315	RY*(10)C19 s(17.01%)p0.13(2.26%)d4.75(80.73%)	0.000010332	2.462343547 Hartree
316	RY*(1)C20 s(0.28%)p99.99(92.49%)d26.10(7.24%)	0.004894159	1.270281765 Hartree
317	RY*(2)C20 s(0.19%)p99.99(98.38%)d7.50(1.43%)	0.002926997	0.708950737 Hartree
318	RY*(3)C20 s(0.01%)p1.00(0.09%)d99.99(99.90%)	0.000622527	1.947457204 Hartree
319	RY*(4)C20 s(0.25%)p99.99(89.29%)d41.55(10.46%)	0.000420650	0.719897288 Hartree
320	RY*(5)C20 s(97.42%)p0.00(0.41%)d0.02(2.17%)	0.000261535	1.135414586 Hartree
321	RY*(6)C20 s(0.07%)p22.48(1.51%)d99.99(98.42%)	0.000101061	2.359174279 Hartree
322	RY*(7)C20 s(53.77%)p0.01(0.40%)d0.85(45.83%)	0.000045972	3.408938935 Hartree
323	RY*(8)C20 s(2.04%)p4.55(9.26%)d43.58(88.71%)	0.000003081	1.805492987 Hartree
324	RY*(9)C20 s(44.79%)p0.03(1.51%)d1.20(53.69%)	0.000007079	2.997644135 Hartree
325	RY*(10)C20 s(1.23%)p5.54(6.80%)d75.05(91.98%)	0.000012158	2.078910245 Hartree
326	RY*(1)C21 s(0.43%)p99.99(91.72%)d18.15(7.84%)	0.004717374	1.275861186 Hartree
327	RY*(2)C21 s(0.00%)p1.00(98.54%)d0.01(1.46%)	0.002694823	0.703661886 Hartree
328	RY*(3)C21 s(0.04%)p86.33(3.27%)d99.99(96.69%)	0.000617843	1.896657386 Hartree
329	RY*(4)C21 s(0.00%)p1.00(87.25%)d0.15(12.74%)	0.000479089	0.749858233 Hartree
330	RY*(5)C21 s(96.42%)p0.00(0.06%)d0.04(3.52%)	0.000211210	1.123387489 Hartree
331	RY*(6)C21 s(0.00%)p1.00(1.51%)d65.13(98.49%)	0.000103318	2.360092065 Hartree
332	RY*(7)C21 s(54.69%)p0.00(0.19%)d0.83(45.12%)	0.000046826	3.428351455 Hartree
333	RY*(8)C21 s(4.01%)p1.83(7.33%)d22.11(88.66%)	0.000006495	2.002743923 Hartree
334	RY*(9)C21 s(42.72%)p0.04(1.53%)d1.30(55.75%)	0.000005225	2.927861861 Hartree
335	RY*(10)C21 s(1.72%)p5.07(8.73%)d51.96(89.54%)	0.000007364	1.916505718 Hartree
336	RY*(1)C22 s(0.29%)p99.99(92.43%)d25.52(7.28%)	0.004864843	1.270588064 Hartree
337	RY*(2)C22 s(0.18%)p99.99(98.40%)d7.70(1.41%)	0.002920114	0.708988747 Hartree
338	RY*(3)C22 s(0.02%)p99.99(3.87%)d99.99(96.11%)	0.000623827	1.895093546 Hartree
339	RY*(4)C22 s(0.73%)p99.99(84.92%)d19.72(14.36%)	0.000407001	0.774054462 Hartree
340	RY*(5)C22 s(96.82%)p0.01(0.86%)d0.02(2.32%)	0.000257532	1.134593739 Hartree
341	RY*(6)C22 s(0.12%)p12.14(1.48%)d99.99(98.40%)	0.000101348	2.361248159 Hartree
342	RY*(7)C22 s(54.72%)p0.01(0.41%)d0.82(44.87%)	0.000045975	3.427027940 Hartree
343	RY*(8)C22 s(42.59%)p0.05(1.96%)d1.30(55.45%)	0.000008153	2.943976366 Hartree
344	RY*(9)C22 s(3.56%)p2.10(7.46%)d25.03(88.98%)	0.000006341	1.980649839 Hartree
345	RY*(10)C22 s(1.02%)p8.20(8.34%)d89.08(90.64%)	0.000008319	1.932206237 Hartree
346	RY*(1)C23 s(0.05%)p99.99(93.25%)d99.99(6.70%)	0.004792804	1.272491537 Hartree
347	RY*(2)C23 s(0.08%)p99.99(97.83%)d26.95(2.09%)	0.002528910	0.780099769 Hartree
348	RY*(3)C23 s(1.42%)p10.26(14.60%)d59.02(83.98%)	0.000645057	1.751105495 Hartree
349	RY*(4)C23 s(4.27%)p18.39(78.52%)d4.03(17.21%)	0.000567341	0.889705897 Hartree
350	RY*(5)C23 s(89.49%)p0.02(1.80%)d0.10(8.71%)	0.000362091	1.170208079 Hartree
351	RY*(6)C23 s(3.40%)p0.62(2.09%)d27.80(94.51%)	0.000096594	2.344578385 Hartree
352	RY*(7)C23 s(44.55%)p0.06(2.88%)d1.18(52.56%)	0.000044012	3.017176868 Hartree
353	RY*(8)C23 s(9.73%)p0.25(2.45%)d9.03(87.82%)	0.000043357	2.399231545 Hartree
354	RY*(9)C23 s(32.36%)p0.12(3.83%)d1.97(63.81%)	0.000017921	2.766390714 Hartree
355	RY*(10)C23 s(14.69%)p0.20(2.87%)d5.61(82.44%)	0.000008186	2.385029923 Hartree
356	RY*(1)H24 s(100.00%)	0.000909924	0.590881019 Hartree
357	RY*(1)H25 s(100.00%)	0.000849153	0.561318150 Hartree
358	RY*(1)H26 s(100.00%)	0.000827799	0.559566835 Hartree
359	RY*(1)H27 s(100.00%)	0.000847624	0.560860410 Hartree
360	RY*(1)H28 s(100.00%)	0.000976170	0.608922225 Hartree
361	RY*(1)C29 s(1.88%)p49.10(92.41%)d3.03(5.71%)	0.005470490	1.305815197 Hartree
362	RY*(2)C29 s(0.00%)p1.00(96.10%)d0.04(3.90%)	0.004125242	1.021022463 Hartree
363	RY*(3)C29 s(0.40%)p99.99(91.82%)d19.65(7.79%)	0.001810839	0.927996132 Hartree
364	RY*(4)C29 s(90.57%)p0.04(3.50%)d0.07(5.93%)	0.000717807	1.227798603 Hartree
365	RY*(5)C29 s(0.36%)p0.28(0.10%)d99.99(99.54%)	0.000675419	1.937379975 Hartree
366	RY*(6)C29 s(6.08%)p1.07(6.53%)d14.36(87.38%)	0.000396839	2.128137371 Hartree
367	RY*(7)C29 s(0.82%)p4.95(4.07%)d99.99(95.11%)	0.000129044	2.224088218 Hartree
368	RY*(8)C29 s(37.58%)p0.07(2.77%)d1.59(59.65%)	0.000100751	3.082042069 Hartree
369	RY*(9)C29 s(59.59%)p0.03(1.79%)d0.65(38.62%)	0.000040087	3.451947112 Hartree
370	RY*(10)C29 s(2.73%)p0.38(1.03%)d35.20(96.24%)	0.000042687	2.462203249 Hartree
371	RY*(1)C30 s(0.05%)p99.99(93.25%)d99.99(6.70%)	0.004792804	1.272491537 Hartree
372	RY*(2)C30 s(0.08%)p99.99(97.83%)d26.95(2.09%)	0.002528910	0.780099769 Hartree
373	RY*(3)C30 s(1.42%)p10.26(14.60%)d59.02(83.98%)	0.000645057	1.751105495 Hartree
374	RY*(4)C30 s(4.27%)p18.39(78.52%)d4.03(17.21%)	0.000567341	0.889705897 Hartree
375	RY*(5)C30 s(89.49%)p0.02(1.80%)d0.10(8.71%)	0.000362091	1.170208079 Hartree
376	RY*(6)C30 s(3.40%)p0.62(2.09%)d27.80(94.51%)	0.000096594	2.344578385 Hartree
377	RY*(7)C30 s(44.55%)p0.06(2.88%)d1.18(52.56%)	0.000044012	3.017176866 Hartree
378	RY*(8)C30 s(9.73%)p0.25(2.45%)d9.03(87.82%)	0.000043357	2.399231546 Hartree
379	RY*(9)C30 s(32.36%)p0.12(3.83%)d1.97(63.81%)	0.000017921	2.766390714 Hartree
380	RY*(10)C30 s(14.69%)p0.20(2.87%)d5.61(82.44%)	0.000008186	2.385029925 Hartree
381	RY*(1)C31 s(0.29%)p99.99(92.43%)d25.52(7.28%)	0.004864843	1.270588064 Hartree
382	RY*(2)C31 s(0.18%)p99.99(98.40%)d7.70(1.41%)	0.002920114	0.708988747 Hartree
383	RY*(3)C31 s(0.02%)p99.99(3.87%)d99.99(96.11%)	0.000623827	1.895093546 Hartree
384	RY*(4)C31 s(0.73%)p99.99(84.92%)d19.72(14.36%)	0.000407001	0.774054462 Hartree
385	RY*(5)C31 s(96.82%)p0.01(0.86%)d0.02(2.32%)	0.000257532	1.134593739 Hartree
386	RY*(6)C31 s(0.12%)p12.14(1.48%)d99.99(98.40%)	0.000101348	2.361248159 Hartree
387	RY*(7)C31 s(54.72%)p0.01(0.41%)d0.82(44.87%)	0.000045975	3.427027940 Hartree
388	RY*(8)C31 s(42.59%)p0.05(1.96%)d1.30(55.45%)	0.000008153	2.943976366 Hartree
389	RY*(9)C31 s(3.56%)p2.10(7.46%)d25.03(88.98%)	0.000006341	1.980649839 Hartree
390	RY*(10)C31 s(1.02%)p8.20(8.34%)d89.08(90.64%)	0.000008319	1.932206237 Hartree
391	RY*(1)C32 s(0.43%)p99.99(91.72%)d18.15(7.84%)	0.004717374	1.275861186 Hartree
392	RY*(2)C32 s(0.00%)p1.00(98.54%)d0.01(1.46%)	0.002694823	0.703661886 Hartree
393	RY*(3)C32 s(0.04%)p86.33(3.27%)d99.99(96.69%)	0.000617843	1.896657386 Hartree
394	RY*(4)C32 s(0.00%)p1.00(87.25%)d0.15(12.74%)	0.000479089	0.749858233 Hartree
395	RY*(5)C32 s(96.42%)p0.00(0.06%)d0.04(3.52%)	0.000211210	1.123387489 Hartree
396	RY*(6)C32 s(0.00%)p1.00(1.51%)d65.13(98.49%)	0.000103318	2.360092065 Hartree
397	RY*(7)C32 s(54.69%)p0.00(0.19%)d0.83(45.12%)	0.000046826	3.428351456 Hartree
398	RY*(8)C32 s(4.01%)p1.83(7.33%)d22.11(88.66%)	0.000006495	2.002743923 Hartree
399	RY*(9)C32 s(42.72%)p0.04(1.53%)d1.30(55.75%)	0.000005225	2.927861860 Hartree
400	RY*(10)C32 s(1.72%)p5.07(8.73%)d51.96(89.54%)	0.000007364	1.916505718 Hartree
401	RY*(1)C33 s(0.28%)p99.99(92.49%)d26.10(7.24%)	0.004894159	1.270281765 Hartree
402	RY*(2)C33 s(0.19%)p99.99(98.38%)d7.50(1.43%)	0.002926997	0.708950737 Hartree
403	RY*(3)C33 s(0.01%)p1.00(0.09%)d99.99(99.90%)	0.000622527	1.947457204 Hartree
404	RY*(4)C33 s(0.25%)p99.99(89.29%)d41.55(10.46%)	0.000420650	0.719897288 Hartree
405	RY*(5)C33 s(97.42%)p0.00(0.41%)d0.02(2.17%)	0.000261535	1.135414586 Hartree
406	RY*(6)C33 s(0.07%)p22.48(1.51%)d99.99(98.42%)	0.000101061	2.359174279 Hartree
407	RY*(7)C33 s(53.77%)p0.01(0.40%)d0.85(45.83%)	0.000045972	3.408938935 Hartree
408	RY*(8)C33 s(2.04%)p4.55(9.26%)d43.58(88.71%)	0.000003081	1.805492987 Hartree
409	RY*(9)C33 s(44.79%)p0.03(1.51%)d1.20(53.69%)	0.000007079	2.997644135 Hartree
410	RY*(10)C33 s(1.23%)p5.54(6.80%)d75.05(91.98%)	0.000012158	2.078910245 Hartree
411	RY*(1)C34 s(0.05%)p99.99(93.31%)d99.99(6.64%)	0.004817243	1.282486061 Hartree
412	RY*(2)C34 s(0.09%)p99.99(97.60%)d27.10(2.32%)	0.002451759	0.790130915 Hartree
413	RY*(3)C34 s(0.02%)p99.99(47.15%)d99.99(52.83%)	0.000727933	1.342690386 Hartree
414	RY*(4)C34 s(6.77%)p6.86(46.39%)d6.92(46.85%)	0.000558504	1.303410065 Hartree
415	RY*(5)C34 s(89.47%)p0.03(2.65%)d0.09(7.88%)	0.000316534	1.181839254 Hartree
416	RY*(6)C34 s(2.79%)p0.83(2.32%)d34.07(94.90%)	0.000095708	2.361717448 Hartree
417	RY*(7)C34 s(32.39%)p0.01(0.45%)d2.07(67.16%)	0.000050048	2.842161611 Hartree
418	RY*(8)C34 s(18.73%)p0.18(3.46%)d4.15(77.81%)	0.000044349	2.386644500 Hartree
419	RY*(9)C34 s(32.73%)p0.14(4.54%)d1.92(62.72%)	0.000022222	2.869448638 Hartree
420	RY*(10)C34 s(17.01%)p0.13(2.26%)d4.75(80.73%)	0.000010332	2.462343549 Hartree
421	RY*(1)H35 s(100.00%)	0.000976170	0.608922225 Hartree
422	RY*(1)H36 s(100.00%)	0.000847624	0.560860410 Hartree
423	RY*(1)H37 s(100.00%)	0.000827799	0.559566835 Hartree
424	RY*(1)H38 s(100.00%)	0.000849153	0.561318150 Hartree
425	RY*(1)H39 s(100.00%)	0.000909924	0.590881019 Hartree
426	RY*(1)C40 s(1.51%)p61.45(92.82%)d3.75(5.67%)	0.005452839	1.328624628 Hartree
427	RY*(2)C40 s(0.04%)p99.99(96.51%)d91.51(3.45%)	0.005113555	1.079393102 Hartree
428	RY*(3)C40 s(1.39%)p59.99(83.34%)d10.99(15.27%)	0.001413129	0.985507379 Hartree
429	RY*(4)C40 s(18.90%)p0.23(4.40%)d4.06(76.70%)	0.000666626	1.753082920 Hartree
430	RY*(5)C40 s(60.34%)p0.07(4.31%)d0.59(35.34%)	0.000601136	1.451484848 Hartree
431	RY*(6)C40 s(17.36%)p0.56(9.79%)d4.20(72.85%)	0.000357553	1.870214606 Hartree
432	RY*(7)C40 s(18.48%)p0.18(3.32%)d4.23(78.20%)	0.000112002	2.666621919 Hartree
433	RY*(8)C40 s(19.58%)p0.14(2.74%)d3.97(77.69%)	0.000104526	2.669456853 Hartree
434	RY*(9)C40 s(45.08%)p0.06(2.80%)d1.16(52.13%)	0.000050009	3.245744839 Hartree
435	RY*(10)C40 s(17.36%)p0.00(0.05%)d4.76(82.58%)	0.000018429	2.624841576 Hartree
436	RY*(1)C41 s(0.03%)p99.99(93.42%)d99.99(6.54%)	0.004722374	1.286912209 Hartree
437	RY*(2)C41 s(0.58%)p99.99(97.93%)d2.55(1.49%)	0.002889336	0.797742826 Hartree
438	RY*(3)C41 s(2.39%)p36.00(86.03%)d4.85(11.58%)	0.000853697	0.805217076 Hartree
439	RY*(4)C41 s(1.58%)p2.02(3.20%)d60.11(95.22%)	0.000613744	1.908905876 Hartree
440	RY*(5)C41 s(93.78%)p0.03(2.90%)d0.04(3.32%)	0.000305619	1.106977027 Hartree
441	RY*(6)C41 s(2.91%)p1.19(3.45%)d32.23(93.65%)	0.000098298	2.379550986 Hartree
442	RY*(7)C41 s(0.78%)p6.42(5.01%)d99.99(94.21%)	0.000038081	2.207808615 Hartree
443	RY*(8)C41 s(59.12%)p0.01(0.54%)d0.68(40.34%)	0.000044631	3.435772620 Hartree
444	RY*(9)C41 s(37.19%)p0.00(0.11%)d1.69(62.70%)	0.000011188	2.950878108 Hartree
445	RY*(10)C41 s(1.67%)p4.52(7.55%)d54.38(90.78%)	0.000014748	1.944526572 Hartree
446	RY*(1)C42 s(0.29%)p99.99(92.41%)d25.30(7.30%)	0.004839759	1.282815016 Hartree
447	RY*(2)C42 s(0.19%)p99.99(98.42%)d7.30(1.39%)	0.002873529	0.720854550 Hartree
448	RY*(3)C42 s(0.01%)p99.99(2.83%)d99.99(97.16%)	0.000635591	1.919824942 Hartree
449	RY*(4)C42 s(1.35%)p63.80(86.07%)d9.32(12.58%)	0.000410432	0.766842874 Hartree
450	RY*(5)C42 s(96.14%)p0.01(1.31%)d0.03(2.56%)	0.000264786	1.149934561 Hartree
451	RY*(6)C42 s(0.21%)p6.88(1.42%)d99.99(98.37%)	0.000103110	2.378067728 Hartree
452	RY*(7)C42 s(55.05%)p0.01(0.42%)d0.81(44.52%)	0.000045841	3.443439122 Hartree
453	RY*(8)C42 s(17.90%)p0.15(2.70%)d4.44(79.40%)	0.000009262	2.476191547 Hartree
454	RY*(9)C42 s(26.19%)p0.21(5.47%)d2.61(68.33%)	0.000007939	2.531749783 Hartree
455	RY*(10)C42 s(2.71%)p3.36(9.09%)d32.61(88.21%)	0.000007104	1.874863678 Hartree
456	RY*(1)C43 s(0.41%)p99.99(91.70%)d19.45(7.90%)	0.004696998	1.286460178 Hartree
457	RY*(2)C43 s(0.00%)p1.00(98.57%)d0.01(1.43%)	0.002687784	0.711236641 Hartree
458	RY*(3)C43 s(0.00%)p1.00(3.66%)d26.35(96.34%)	0.000621083	1.901968149 Hartree
459	RY*(4)C43 s(0.02%)p99.99(87.13%)d99.99(12.85%)	0.000512651	0.762301831 Hartree
460	RY*(5)C43 s(96.59%)p0.00(0.07%)d0.03(3.34%)	0.000211831	1.138583624 Hartree
461	RY*(6)C43 s(0.01%)p1.00(1.48%)d66.71(98.52%)	0.000102095	2.372349510 Hartree
462	RY*(7)C43 s(54.49%)p0.00(0.17%)d0.83(45.34%)	0.000046811	3.428185702 Hartree
463	RY*(8)C43 s(33.61%)p0.11(3.77%)d1.86(62.62%)	0.000006313	2.693771527 Hartree
464	RY*(9)C43 s(13.35%)p0.34(4.58%)d6.15(82.07%)	0.000008209	2.336286728 Hartree
465	RY*(10)C43 s(1.56%)p5.77(9.02%)d57.17(89.42%)	0.000004984	1.855872801 Hartree
466	RY*(1)C44 s(0.29%)p99.99(92.43%)d24.78(7.28%)	0.004866993	1.281049802 Hartree
467	RY*(2)C44 s(0.23%)p99.99(98.37%)d6.17(1.40%)	0.002879737	0.719053852 Hartree
468	RY*(3)C44 s(0.09%)p12.81(1.14%)d99.99(98.77%)	0.000631862	1.942094177 Hartree
469	RY*(4)C44 s(0.92%)p95.22(87.52%)d12.58(11.56%)	0.000414076	0.747994057 Hartree
470	RY*(5)C44 s(96.55%)p0.01(1.08%)d0.02(2.36%)	0.000260302	1.151148797 Hartree
471	RY*(6)C44 s(0.11%)p12.88(1.46%)d99.99(98.42%)	0.000101370	2.372304943 Hartree
472	RY*(7)C44 s(54.70%)p0.01(0.35%)d0.82(44.96%)	0.000045602	3.427762156 Hartree
473	RY*(8)C44 s(4.76%)p1.71(8.16%)d18.29(87.08%)	0.000010972	2.059803740 Hartree
474	RY*(9)C44 s(3.03%)p3.16(9.56%)d28.90(87.42%)	0.000004920	1.866723808 Hartree
475	RY*(10)C44 s(39.36%)p0.00(0.07%)d1.54(60.58%)	0.000007645	2.962499913 Hartree
476	RY*(1)C45 s(0.08%)p99.99(93.08%)d87.55(6.85%)	0.004708841	1.293189739 Hartree
477	RY*(2)C45 s(0.03%)p99.99(97.73%)d68.97(2.24%)	0.002440828	0.809402880 Hartree
478	RY*(3)C45 s(1.05%)p14.65(15.32%)d79.92(83.63%)	0.000637624	1.750594875 Hartree
479	RY*(4)C45 s(1.16%)p68.77(80.01%)d16.18(18.83%)	0.000579236	0.905016249 Hartree
480	RY*(5)C45 s(93.18%)p0.00(0.35%)d0.07(6.48%)	0.000334395	1.176092121 Hartree
481	RY*(6)C45 s(4.47%)p0.49(2.18%)d20.90(93.36%)	0.000095841	2.381355144 Hartree
482	RY*(7)C45 s(59.38%)p0.01(0.74%)d0.67(39.88%)	0.000046720	3.414464105 Hartree
483	RY*(8)C45 s(1.52%)p2.68(4.07%)d62.28(94.41%)	0.000043730	2.069598053 Hartree
484	RY*(9)C45 s(1.93%)p2.57(4.96%)d48.29(93.11%)	0.000014545	2.120675792 Hartree
485	RY*(10)C45 s(37.25%)p0.05(1.71%)d1.64(61.04%)	0.000014988	2.943633922 Hartree
486	RY*(1)H46 s(100.00%)	0.000999287	0.645747104 Hartree
487	RY*(1)H47 s(100.00%)	0.000870916	0.569579672 Hartree
488	RY*(1)H48 s(100.00%)	0.000846304	0.568297477 Hartree
489	RY*(1)H49 s(100.00%)	0.000853193	0.571341727 Hartree
490	RY*(1)H50 s(100.00%)	0.001406913	0.620946202 Hartree

Natural Bond Orbitals

Display Range		- / 490
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	BD(1)C1-C2	1, 2	1.968381845	-0.719481269 Hartree
2	BD(2)C1-C2	3, 4	1.832393317	-0.263891867 Hartree
3	BD(1)C1-C5	5, 6	1.968463094	-0.620816363 Hartree
4	BD(1)C1-C40	7, 8	1.972151645	-0.651961117 Hartree
5	BD(1)C2-C3	9, 10	1.956104725	-0.611102626 Hartree
6	BD(1)C2-C29	11, 12	1.973225004	-0.657455124 Hartree
7	BD(1)C3-C4	13, 14	1.968381846	-0.719481269 Hartree
8	BD(2)C3-C4	15, 16	1.832393317	-0.263891867 Hartree
9	BD(1)C3-C18	17, 18	1.973225004	-0.657455124 Hartree
10	BD(1)C4-C5	19, 20	1.968463093	-0.620816363 Hartree
11	BD(1)C4-C7	21, 22	1.972151645	-0.651961117 Hartree
12	BD(1)C5-O6	23, 24	1.996605303	-1.088503552 Hartree
13	BD(2)C5-O6	25, 26	1.950118820	-0.375093728 Hartree
14	BD(1)C7-C8	27, 28	1.972895452	-0.670728817 Hartree
15	BD(2)C7-C8	29, 30	1.628121185	-0.230786592 Hartree
16	BD(1)C7-C12	31, 32	1.972455133	-0.673048923 Hartree
17	BD(1)C8-C9	33, 34	1.980007779	-0.679328184 Hartree
18	BD(1)C8-H17	35, 36	1.981563233	-0.504813606 Hartree
19	BD(1)C9-C10	37, 38	1.981138112	-0.679961591 Hartree
20	BD(2)C9-C10	39, 40	1.659451551	-0.235719582 Hartree
21	BD(1)C9-H16	41, 42	1.982494376	-0.509295453 Hartree
22	BD(1)C10-C11	43, 44	1.980893986	-0.679224242 Hartree
23	BD(1)C10-H15	45, 46	1.983345134	-0.512635602 Hartree
24	BD(1)C11-C12	47, 48	1.979869100	-0.682305830 Hartree
25	BD(2)C11-C12	49, 50	1.675876187	-0.237223537 Hartree
26	BD(1)C11-H14	51, 52	1.982468962	-0.510878847 Hartree
27	BD(1)C12-H13	53, 54	1.981505651	-0.508964457 Hartree
28	BD(1)C18-C19	55, 56	1.971503907	-0.687049164 Hartree
29	BD(2)C18-C19	57, 58	1.641215552	-0.245215683 Hartree
30	BD(1)C18-C23	59, 60	1.970222165	-0.685201316 Hartree
31	BD(1)C19-C20	61, 62	1.979510068	-0.691727281 Hartree
32	BD(1)C19-H28	63, 64	1.981492754	-0.519785253 Hartree
33	BD(1)C20-C21	65, 66	1.981026283	-0.690901469 Hartree
34	BD(2)C20-C21	67, 68	1.655952420	-0.246562428 Hartree
35	BD(1)C20-H27	69, 70	1.982360234	-0.520695570 Hartree
36	BD(1)C21-C22	71, 72	1.980995464	-0.690084850 Hartree
37	BD(1)C21-H26	73, 74	1.983141222	-0.522406569 Hartree
38	BD(1)C22-C23	75, 76	1.979772662	-0.692200389 Hartree
39	BD(2)C22-C23	77, 78	1.666443578	-0.247169441 Hartree
40	BD(1)C22-H25	79, 80	1.982280763	-0.520466832 Hartree
41	BD(1)C23-H24	81, 82	1.981826232	-0.517969590 Hartree
42	BD(1)C29-C30	83, 84	1.970222165	-0.685201316 Hartree
43	BD(1)C29-C34	85, 86	1.971503907	-0.687049164 Hartree
44	BD(2)C29-C34	87, 88	1.641215552	-0.245215683 Hartree
45	BD(1)C30-C31	89, 90	1.979772661	-0.692200389 Hartree
46	BD(2)C30-C31	91, 92	1.666443578	-0.247169441 Hartree
47	BD(1)C30-H39	93, 94	1.981826232	-0.517969590 Hartree
48	BD(1)C31-C32	95, 96	1.980995465	-0.690084850 Hartree
49	BD(1)C31-H38	97, 98	1.982280763	-0.520466832 Hartree
50	BD(1)C32-C33	99, 100	1.981026283	-0.690901470 Hartree
51	BD(2)C32-C33	101, 102	1.655952420	-0.246562428 Hartree
52	BD(1)C32-H37	103, 104	1.983141221	-0.522406569 Hartree
53	BD(1)C33-C34	105, 106	1.979510068	-0.691727281 Hartree
54	BD(1)C33-H36	107, 108	1.982360233	-0.520695570 Hartree
55	BD(1)C34-H35	109, 110	1.981492753	-0.519785253 Hartree
56	BD(1)C40-C41	111, 112	1.972895452	-0.670728817 Hartree
57	BD(2)C40-C41	113, 114	1.628121185	-0.230786592 Hartree
58	BD(1)C40-C45	115, 116	1.972455133	-0.673048923 Hartree
59	BD(1)C41-C42	117, 118	1.980007779	-0.679328184 Hartree
60	BD(1)C41-H50	119, 120	1.981563233	-0.504813606 Hartree
61	BD(1)C42-C43	121, 122	1.981138112	-0.679961591 Hartree
62	BD(2)C42-C43	123, 124	1.659451551	-0.235719582 Hartree
63	BD(1)C42-H49	125, 126	1.982494376	-0.509295453 Hartree
64	BD(1)C43-C44	127, 128	1.980893986	-0.679224242 Hartree
65	BD(1)C43-H48	129, 130	1.983345134	-0.512635602 Hartree
66	BD(1)C44-C45	131, 132	1.979869100	-0.682305830 Hartree
67	BD(2)C44-C45	133, 134	1.675876187	-0.237223537 Hartree
68	BD(1)C44-H47	135, 136	1.982468962	-0.510878847 Hartree
69	BD(1)C45-H46	137, 138	1.981505651	-0.508964457 Hartree
70	CR(1)C1	139	1.998813198	-10.044431454 Hartree
71	CR(1)C2	140	1.998896630	-10.062180038 Hartree
72	CR(1)C3	141	1.998896630	-10.062180038 Hartree
73	CR(1)C4	142	1.998813198	-10.044431454 Hartree
74	CR(1)C5	143	1.999246103	-10.146602037 Hartree
75	CR(1)O6	144	1.999789791	-18.880316745 Hartree
76	CR(1)C7	145	1.999012953	-10.043737313 Hartree
77	CR(1)C8	146	1.999062843	-10.033686331 Hartree
78	CR(1)C9	147	1.999099820	-10.036967411 Hartree
79	CR(1)C10	148	1.999096577	-10.039455721 Hartree
80	CR(1)C11	149	1.999096381	-10.037903392 Hartree
81	CR(1)C12	150	1.999056640	-10.035714710 Hartree
82	CR(1)C18	151	1.998998707	-10.051825284 Hartree
83	CR(1)C19	152	1.999035818	-10.047163246 Hartree
84	CR(1)C20	153	1.999094171	-10.048886782 Hartree
85	CR(1)C21	154	1.999098524	-10.050434020 Hartree
86	CR(1)C22	155	1.999094833	-10.048581546 Hartree
87	CR(1)C23	156	1.999036318	-10.046403804 Hartree
88	CR(1)C29	157	1.998998707	-10.051825284 Hartree
89	CR(1)C30	158	1.999036318	-10.046403804 Hartree
90	CR(1)C31	159	1.999094833	-10.048581546 Hartree
91	CR(1)C32	160	1.999098524	-10.050434020 Hartree
92	CR(1)C33	161	1.999094171	-10.048886782 Hartree
93	CR(1)C34	162	1.999035818	-10.047163246 Hartree
94	CR(1)C40	163	1.999012953	-10.043737313 Hartree
95	CR(1)C41	164	1.999062843	-10.033686331 Hartree
96	CR(1)C42	165	1.999099820	-10.036967411 Hartree
97	CR(1)C43	166	1.999096577	-10.039455721 Hartree
98	CR(1)C44	167	1.999096381	-10.037903392 Hartree
99	CR(1)C45	168	1.999056640	-10.035714710 Hartree
100	LP(1)O6	169	1.977211330	-0.683646940 Hartree
101	LP(2)O6	170	1.874189609	-0.262526816 Hartree
102	RY*(1)C1	171	0.006180640	1.079041854 Hartree
103	RY*(2)C1	172	0.003923072	1.358851824 Hartree
104	RY*(3)C1	173	0.001758057	0.860014348 Hartree
105	RY*(4)C1	174	0.000751838	1.339003616 Hartree
106	RY*(5)C1	175	0.000554705	1.885853992 Hartree
107	RY*(6)C1	176	0.000188800	2.061278857 Hartree
108	RY*(7)C1	177	0.000153856	2.306488466 Hartree
109	RY*(8)C1	178	0.000080777	2.674920540 Hartree
110	RY*(9)C1	179	0.000059880	3.576476761 Hartree
111	RY*(10)C1	180	0.000021594	2.566202786 Hartree
112	RY*(1)C2	181	0.005471095	0.992993355 Hartree
113	RY*(2)C2	182	0.004135160	1.372878197 Hartree
114	RY*(3)C2	183	0.001902995	0.888449156 Hartree
115	RY*(4)C2	184	0.000589174	1.257909803 Hartree
116	RY*(5)C2	185	0.000524466	2.139671341 Hartree
117	RY*(6)C2	186	0.000467794	1.849319406 Hartree
118	RY*(7)C2	187	0.000157503	2.476300371 Hartree
119	RY*(8)C2	188	0.000069779	2.527999033 Hartree
120	RY*(9)C2	189	0.000046724	3.313717609 Hartree
121	RY*(10)C2	190	0.000026345	2.789409738 Hartree
122	RY*(1)C3	191	0.005471095	0.992993355 Hartree
123	RY*(2)C3	192	0.004135160	1.372878197 Hartree
124	RY*(3)C3	193	0.001902995	0.888449156 Hartree
125	RY*(4)C3	194	0.000589174	1.257909803 Hartree
126	RY*(5)C3	195	0.000524466	2.139671341 Hartree
127	RY*(6)C3	196	0.000467794	1.849319406 Hartree
128	RY*(7)C3	197	0.000157503	2.476300371 Hartree
129	RY*(8)C3	198	0.000069779	2.527999034 Hartree
130	RY*(9)C3	199	0.000046724	3.313717611 Hartree
131	RY*(10)C3	200	0.000026345	2.789409736 Hartree
132	RY*(1)C4	201	0.006180640	1.079041854 Hartree
133	RY*(2)C4	202	0.003923072	1.358851824 Hartree
134	RY*(3)C4	203	0.001758057	0.860014348 Hartree
135	RY*(4)C4	204	0.000751838	1.339003616 Hartree
136	RY*(5)C4	205	0.000554705	1.885853992 Hartree
137	RY*(6)C4	206	0.000188800	2.061278857 Hartree
138	RY*(7)C4	207	0.000153856	2.306488466 Hartree
139	RY*(8)C4	208	0.000080777	2.674920541 Hartree
140	RY*(9)C4	209	0.000059880	3.576476761 Hartree
141	RY*(10)C4	210	0.000021594	2.566202784 Hartree
142	RY*(1)C5	211	0.017056779	0.826881805 Hartree
143	RY*(2)C5	212	0.004477920	1.427013170 Hartree
144	RY*(3)C5	213	0.001904257	2.184806311 Hartree
145	RY*(4)C5	214	0.001786918	1.604267968 Hartree
146	RY*(5)C5	215	0.001301526	2.010080246 Hartree
147	RY*(6)C5	216	0.000624661	1.896378149 Hartree
148	RY*(7)C5	217	0.000184652	3.116117689 Hartree
149	RY*(8)C5	218	0.000137124	0.912314714 Hartree
150	RY*(9)C5	219	0.000102418	2.940629535 Hartree
151	RY*(10)C5	220	0.000021973	2.417829948 Hartree
152	RY*(1)O6	221	0.002663979	1.222661306 Hartree
153	RY*(2)O6	222	0.000428386	1.059038011 Hartree
154	RY*(3)O6	223	0.000333099	2.625742577 Hartree
155	RY*(4)O6	224	0.000140476	2.636318317 Hartree
156	RY*(5)O6	225	0.000087787	1.347883692 Hartree
157	RY*(6)O6	226	0.000040128	2.079733417 Hartree
158	RY*(7)O6	227	0.000033163	1.835324558 Hartree
159	RY*(8)O6	228	0.000009019	1.854400702 Hartree
160	RY*(9)O6	229	0.000014565	3.103635783 Hartree
161	RY*(10)O6	230	0.000002645	1.867327213 Hartree
162	RY*(1)C7	231	0.005452839	1.328624628 Hartree
163	RY*(2)C7	232	0.005113555	1.079393102 Hartree
164	RY*(3)C7	233	0.001413129	0.985507380 Hartree
165	RY*(4)C7	234	0.000666626	1.753082920 Hartree
166	RY*(5)C7	235	0.000601136	1.451484847 Hartree
167	RY*(6)C7	236	0.000357553	1.870214606 Hartree
168	RY*(7)C7	237	0.000112002	2.666621919 Hartree
169	RY*(8)C7	238	0.000104526	2.669456853 Hartree
170	RY*(9)C7	239	0.000050009	3.245744840 Hartree
171	RY*(10)C7	240	0.000018429	2.624841575 Hartree
172	RY*(1)C8	241	0.004722374	1.286912209 Hartree
173	RY*(2)C8	242	0.002889336	0.797742826 Hartree
174	RY*(3)C8	243	0.000853697	0.805217076 Hartree
175	RY*(4)C8	244	0.000613744	1.908905876 Hartree
176	RY*(5)C8	245	0.000305619	1.106977027 Hartree
177	RY*(6)C8	246	0.000098298	2.379550986 Hartree
178	RY*(7)C8	247	0.000038081	2.207808615 Hartree
179	RY*(8)C8	248	0.000044631	3.435772620 Hartree
180	RY*(9)C8	249	0.000011188	2.950878108 Hartree
181	RY*(10)C8	250	0.000014748	1.944526572 Hartree
182	RY*(1)C9	251	0.004839759	1.282815016 Hartree
183	RY*(2)C9	252	0.002873529	0.720854550 Hartree
184	RY*(3)C9	253	0.000635591	1.919824942 Hartree
185	RY*(4)C9	254	0.000410432	0.766842874 Hartree
186	RY*(5)C9	255	0.000264786	1.149934561 Hartree
187	RY*(6)C9	256	0.000103110	2.378067728 Hartree
188	RY*(7)C9	257	0.000045841	3.443439124 Hartree
189	RY*(8)C9	258	0.000009262	2.476191547 Hartree
190	RY*(9)C9	259	0.000007939	2.531749782 Hartree
191	RY*(10)C9	260	0.000007104	1.874863678 Hartree
192	RY*(1)C10	261	0.004696998	1.286460178 Hartree
193	RY*(2)C10	262	0.002687784	0.711236641 Hartree
194	RY*(3)C10	263	0.000621083	1.901968149 Hartree
195	RY*(4)C10	264	0.000512651	0.762301831 Hartree
196	RY*(5)C10	265	0.000211831	1.138583625 Hartree
197	RY*(6)C10	266	0.000102095	2.372349510 Hartree
198	RY*(7)C10	267	0.000046811	3.428185700 Hartree
199	RY*(8)C10	268	0.000006313	2.693771529 Hartree
200	RY*(9)C10	269	0.000008209	2.336286727 Hartree
201	RY*(10)C10	270	0.000004984	1.855872801 Hartree
202	RY*(1)C11	271	0.004866993	1.281049802 Hartree
203	RY*(2)C11	272	0.002879737	0.719053852 Hartree
204	RY*(3)C11	273	0.000631862	1.942094177 Hartree
205	RY*(4)C11	274	0.000414076	0.747994057 Hartree
206	RY*(5)C11	275	0.000260302	1.151148797 Hartree
207	RY*(6)C11	276	0.000101370	2.372304943 Hartree
208	RY*(7)C11	277	0.000045602	3.427762155 Hartree
209	RY*(8)C11	278	0.000010972	2.059803740 Hartree
210	RY*(9)C11	279	0.000004920	1.866723808 Hartree
211	RY*(10)C11	280	0.000007645	2.962499914 Hartree
212	RY*(1)C12	281	0.004708841	1.293189739 Hartree
213	RY*(2)C12	282	0.002440828	0.809402880 Hartree
214	RY*(3)C12	283	0.000637624	1.750594875 Hartree
215	RY*(4)C12	284	0.000579236	0.905016249 Hartree
216	RY*(5)C12	285	0.000334395	1.176092120 Hartree
217	RY*(6)C12	286	0.000095841	2.381355143 Hartree
218	RY*(7)C12	287	0.000046720	3.414464104 Hartree
219	RY*(8)C12	288	0.000043730	2.069598053 Hartree
220	RY*(9)C12	289	0.000014545	2.120675792 Hartree
221	RY*(10)C12	290	0.000014988	2.943633923 Hartree
222	RY*(1)H13	291	0.000999287	0.645747104 Hartree
223	RY*(1)H14	292	0.000870916	0.569579672 Hartree
224	RY*(1)H15	293	0.000846304	0.568297477 Hartree
225	RY*(1)H16	294	0.000853193	0.571341727 Hartree
226	RY*(1)H17	295	0.001406913	0.620946202 Hartree
227	RY*(1)C18	296	0.005470490	1.305815197 Hartree
228	RY*(2)C18	297	0.004125242	1.021022463 Hartree
229	RY*(3)C18	298	0.001810839	0.927996132 Hartree
230	RY*(4)C18	299	0.000717807	1.227798603 Hartree
231	RY*(5)C18	300	0.000675419	1.937379974 Hartree
232	RY*(6)C18	301	0.000396839	2.128137371 Hartree
233	RY*(7)C18	302	0.000129044	2.224088218 Hartree
234	RY*(8)C18	303	0.000100751	3.082042070 Hartree
235	RY*(9)C18	304	0.000040087	3.451947112 Hartree
236	RY*(10)C18	305	0.000042687	2.462203249 Hartree
237	RY*(1)C19	306	0.004817243	1.282486061 Hartree
238	RY*(2)C19	307	0.002451759	0.790130915 Hartree
239	RY*(3)C19	308	0.000727933	1.342690386 Hartree
240	RY*(4)C19	309	0.000558504	1.303410065 Hartree
241	RY*(5)C19	310	0.000316534	1.181839254 Hartree
242	RY*(6)C19	311	0.000095708	2.361717448 Hartree
243	RY*(7)C19	312	0.000050048	2.842161611 Hartree
244	RY*(8)C19	313	0.000044349	2.386644499 Hartree
245	RY*(9)C19	314	0.000022222	2.869448640 Hartree
246	RY*(10)C19	315	0.000010332	2.462343547 Hartree
247	RY*(1)C20	316	0.004894159	1.270281765 Hartree
248	RY*(2)C20	317	0.002926997	0.708950737 Hartree
249	RY*(3)C20	318	0.000622527	1.947457204 Hartree
250	RY*(4)C20	319	0.000420650	0.719897288 Hartree
251	RY*(5)C20	320	0.000261535	1.135414586 Hartree
252	RY*(6)C20	321	0.000101061	2.359174279 Hartree
253	RY*(7)C20	322	0.000045972	3.408938935 Hartree
254	RY*(8)C20	323	0.000003081	1.805492987 Hartree
255	RY*(9)C20	324	0.000007079	2.997644135 Hartree
256	RY*(10)C20	325	0.000012158	2.078910245 Hartree
257	RY*(1)C21	326	0.004717374	1.275861186 Hartree
258	RY*(2)C21	327	0.002694823	0.703661886 Hartree
259	RY*(3)C21	328	0.000617843	1.896657386 Hartree
260	RY*(4)C21	329	0.000479089	0.749858233 Hartree
261	RY*(5)C21	330	0.000211210	1.123387489 Hartree
262	RY*(6)C21	331	0.000103318	2.360092065 Hartree
263	RY*(7)C21	332	0.000046826	3.428351455 Hartree
264	RY*(8)C21	333	0.000006495	2.002743923 Hartree
265	RY*(9)C21	334	0.000005225	2.927861861 Hartree
266	RY*(10)C21	335	0.000007364	1.916505718 Hartree
267	RY*(1)C22	336	0.004864843	1.270588064 Hartree
268	RY*(2)C22	337	0.002920114	0.708988747 Hartree
269	RY*(3)C22	338	0.000623827	1.895093546 Hartree
270	RY*(4)C22	339	0.000407001	0.774054462 Hartree
271	RY*(5)C22	340	0.000257532	1.134593739 Hartree
272	RY*(6)C22	341	0.000101348	2.361248159 Hartree
273	RY*(7)C22	342	0.000045975	3.427027940 Hartree
274	RY*(8)C22	343	0.000008153	2.943976366 Hartree
275	RY*(9)C22	344	0.000006341	1.980649839 Hartree
276	RY*(10)C22	345	0.000008319	1.932206237 Hartree
277	RY*(1)C23	346	0.004792804	1.272491537 Hartree
278	RY*(2)C23	347	0.002528910	0.780099769 Hartree
279	RY*(3)C23	348	0.000645057	1.751105495 Hartree
280	RY*(4)C23	349	0.000567341	0.889705897 Hartree
281	RY*(5)C23	350	0.000362091	1.170208079 Hartree
282	RY*(6)C23	351	0.000096594	2.344578385 Hartree
283	RY*(7)C23	352	0.000044012	3.017176868 Hartree
284	RY*(8)C23	353	0.000043357	2.399231545 Hartree
285	RY*(9)C23	354	0.000017921	2.766390714 Hartree
286	RY*(10)C23	355	0.000008186	2.385029923 Hartree
287	RY*(1)H24	356	0.000909924	0.590881019 Hartree
288	RY*(1)H25	357	0.000849153	0.561318150 Hartree
289	RY*(1)H26	358	0.000827799	0.559566835 Hartree
290	RY*(1)H27	359	0.000847624	0.560860410 Hartree
291	RY*(1)H28	360	0.000976170	0.608922225 Hartree
292	RY*(1)C29	361	0.005470490	1.305815197 Hartree
293	RY*(2)C29	362	0.004125242	1.021022463 Hartree
294	RY*(3)C29	363	0.001810839	0.927996132 Hartree
295	RY*(4)C29	364	0.000717807	1.227798603 Hartree
296	RY*(5)C29	365	0.000675419	1.937379975 Hartree
297	RY*(6)C29	366	0.000396839	2.128137371 Hartree
298	RY*(7)C29	367	0.000129044	2.224088218 Hartree
299	RY*(8)C29	368	0.000100751	3.082042069 Hartree
300	RY*(9)C29	369	0.000040087	3.451947112 Hartree
301	RY*(10)C29	370	0.000042687	2.462203249 Hartree
302	RY*(1)C30	371	0.004792804	1.272491537 Hartree
303	RY*(2)C30	372	0.002528910	0.780099769 Hartree
304	RY*(3)C30	373	0.000645057	1.751105495 Hartree
305	RY*(4)C30	374	0.000567341	0.889705897 Hartree
306	RY*(5)C30	375	0.000362091	1.170208079 Hartree
307	RY*(6)C30	376	0.000096594	2.344578385 Hartree
308	RY*(7)C30	377	0.000044012	3.017176866 Hartree
309	RY*(8)C30	378	0.000043357	2.399231546 Hartree
310	RY*(9)C30	379	0.000017921	2.766390714 Hartree
311	RY*(10)C30	380	0.000008186	2.385029925 Hartree
312	RY*(1)C31	381	0.004864843	1.270588064 Hartree
313	RY*(2)C31	382	0.002920114	0.708988747 Hartree
314	RY*(3)C31	383	0.000623827	1.895093546 Hartree
315	RY*(4)C31	384	0.000407001	0.774054462 Hartree
316	RY*(5)C31	385	0.000257532	1.134593739 Hartree
317	RY*(6)C31	386	0.000101348	2.361248159 Hartree
318	RY*(7)C31	387	0.000045975	3.427027940 Hartree
319	RY*(8)C31	388	0.000008153	2.943976366 Hartree
320	RY*(9)C31	389	0.000006341	1.980649839 Hartree
321	RY*(10)C31	390	0.000008319	1.932206237 Hartree
322	RY*(1)C32	391	0.004717374	1.275861186 Hartree
323	RY*(2)C32	392	0.002694823	0.703661886 Hartree
324	RY*(3)C32	393	0.000617843	1.896657386 Hartree
325	RY*(4)C32	394	0.000479089	0.749858233 Hartree
326	RY*(5)C32	395	0.000211210	1.123387489 Hartree
327	RY*(6)C32	396	0.000103318	2.360092065 Hartree
328	RY*(7)C32	397	0.000046826	3.428351456 Hartree
329	RY*(8)C32	398	0.000006495	2.002743923 Hartree
330	RY*(9)C32	399	0.000005225	2.927861860 Hartree
331	RY*(10)C32	400	0.000007364	1.916505718 Hartree
332	RY*(1)C33	401	0.004894159	1.270281765 Hartree
333	RY*(2)C33	402	0.002926997	0.708950737 Hartree
334	RY*(3)C33	403	0.000622527	1.947457204 Hartree
335	RY*(4)C33	404	0.000420650	0.719897288 Hartree
336	RY*(5)C33	405	0.000261535	1.135414586 Hartree
337	RY*(6)C33	406	0.000101061	2.359174279 Hartree
338	RY*(7)C33	407	0.000045972	3.408938935 Hartree
339	RY*(8)C33	408	0.000003081	1.805492987 Hartree
340	RY*(9)C33	409	0.000007079	2.997644135 Hartree
341	RY*(10)C33	410	0.000012158	2.078910245 Hartree
342	RY*(1)C34	411	0.004817243	1.282486061 Hartree
343	RY*(2)C34	412	0.002451759	0.790130915 Hartree
344	RY*(3)C34	413	0.000727933	1.342690386 Hartree
345	RY*(4)C34	414	0.000558504	1.303410065 Hartree
346	RY*(5)C34	415	0.000316534	1.181839254 Hartree
347	RY*(6)C34	416	0.000095708	2.361717448 Hartree
348	RY*(7)C34	417	0.000050048	2.842161611 Hartree
349	RY*(8)C34	418	0.000044349	2.386644500 Hartree
350	RY*(9)C34	419	0.000022222	2.869448638 Hartree
351	RY*(10)C34	420	0.000010332	2.462343549 Hartree
352	RY*(1)H35	421	0.000976170	0.608922225 Hartree
353	RY*(1)H36	422	0.000847624	0.560860410 Hartree
354	RY*(1)H37	423	0.000827799	0.559566835 Hartree
355	RY*(1)H38	424	0.000849153	0.561318150 Hartree
356	RY*(1)H39	425	0.000909924	0.590881019 Hartree
357	RY*(1)C40	426	0.005452839	1.328624628 Hartree
358	RY*(2)C40	427	0.005113555	1.079393102 Hartree
359	RY*(3)C40	428	0.001413129	0.985507379 Hartree
360	RY*(4)C40	429	0.000666626	1.753082920 Hartree
361	RY*(5)C40	430	0.000601136	1.451484848 Hartree
362	RY*(6)C40	431	0.000357553	1.870214606 Hartree
363	RY*(7)C40	432	0.000112002	2.666621919 Hartree
364	RY*(8)C40	433	0.000104526	2.669456853 Hartree
365	RY*(9)C40	434	0.000050009	3.245744839 Hartree
366	RY*(10)C40	435	0.000018429	2.624841576 Hartree
367	RY*(1)C41	436	0.004722374	1.286912209 Hartree
368	RY*(2)C41	437	0.002889336	0.797742826 Hartree
369	RY*(3)C41	438	0.000853697	0.805217076 Hartree
370	RY*(4)C41	439	0.000613744	1.908905876 Hartree
371	RY*(5)C41	440	0.000305619	1.106977027 Hartree
372	RY*(6)C41	441	0.000098298	2.379550986 Hartree
373	RY*(7)C41	442	0.000038081	2.207808615 Hartree
374	RY*(8)C41	443	0.000044631	3.435772620 Hartree
375	RY*(9)C41	444	0.000011188	2.950878108 Hartree
376	RY*(10)C41	445	0.000014748	1.944526572 Hartree
377	RY*(1)C42	446	0.004839759	1.282815016 Hartree
378	RY*(2)C42	447	0.002873529	0.720854550 Hartree
379	RY*(3)C42	448	0.000635591	1.919824942 Hartree
380	RY*(4)C42	449	0.000410432	0.766842874 Hartree
381	RY*(5)C42	450	0.000264786	1.149934561 Hartree
382	RY*(6)C42	451	0.000103110	2.378067728 Hartree
383	RY*(7)C42	452	0.000045841	3.443439122 Hartree
384	RY*(8)C42	453	0.000009262	2.476191547 Hartree
385	RY*(9)C42	454	0.000007939	2.531749783 Hartree
386	RY*(10)C42	455	0.000007104	1.874863678 Hartree
387	RY*(1)C43	456	0.004696998	1.286460178 Hartree
388	RY*(2)C43	457	0.002687784	0.711236641 Hartree
389	RY*(3)C43	458	0.000621083	1.901968149 Hartree
390	RY*(4)C43	459	0.000512651	0.762301831 Hartree
391	RY*(5)C43	460	0.000211831	1.138583624 Hartree
392	RY*(6)C43	461	0.000102095	2.372349510 Hartree
393	RY*(7)C43	462	0.000046811	3.428185702 Hartree
394	RY*(8)C43	463	0.000006313	2.693771527 Hartree
395	RY*(9)C43	464	0.000008209	2.336286728 Hartree
396	RY*(10)C43	465	0.000004984	1.855872801 Hartree
397	RY*(1)C44	466	0.004866993	1.281049802 Hartree
398	RY*(2)C44	467	0.002879737	0.719053852 Hartree
399	RY*(3)C44	468	0.000631862	1.942094177 Hartree
400	RY*(4)C44	469	0.000414076	0.747994057 Hartree
401	RY*(5)C44	470	0.000260302	1.151148797 Hartree
402	RY*(6)C44	471	0.000101370	2.372304943 Hartree
403	RY*(7)C44	472	0.000045602	3.427762156 Hartree
404	RY*(8)C44	473	0.000010972	2.059803740 Hartree
405	RY*(9)C44	474	0.000004920	1.866723808 Hartree
406	RY*(10)C44	475	0.000007645	2.962499913 Hartree
407	RY*(1)C45	476	0.004708841	1.293189739 Hartree
408	RY*(2)C45	477	0.002440828	0.809402880 Hartree
409	RY*(3)C45	478	0.000637624	1.750594875 Hartree
410	RY*(4)C45	479	0.000579236	0.905016249 Hartree
411	RY*(5)C45	480	0.000334395	1.176092121 Hartree
412	RY*(6)C45	481	0.000095841	2.381355144 Hartree
413	RY*(7)C45	482	0.000046720	3.414464105 Hartree
414	RY*(8)C45	483	0.000043730	2.069598053 Hartree
415	RY*(9)C45	484	0.000014545	2.120675792 Hartree
416	RY*(10)C45	485	0.000014988	2.943633922 Hartree
417	RY*(1)H46	486	0.000999287	0.645747104 Hartree
418	RY*(1)H47	487	0.000870916	0.569579672 Hartree
419	RY*(1)H48	488	0.000846304	0.568297477 Hartree
420	RY*(1)H49	489	0.000853193	0.571341727 Hartree
421	RY*(1)H50	490	0.001406913	0.620946202 Hartree
422	BD*(1)C1-C2		0.023181144	0.643543114 Hartree
423	BD*(2)C1-C2		0.161842022	0.052892888 Hartree
424	BD*(1)C1-C5		0.072242452	0.421371442 Hartree
425	BD*(1)C1-C40		0.029660248	0.503717030 Hartree
426	BD*(1)C2-C3		0.039157843	0.422649834 Hartree
427	BD*(1)C2-C29		0.031045172	0.483330563 Hartree
428	BD*(1)C3-C4		0.023181144	0.643543114 Hartree
429	BD*(2)C3-C4		0.161842022	0.052892888 Hartree
430	BD*(1)C3-C18		0.031045172	0.483330562 Hartree
431	BD*(1)C4-C5		0.072242452	0.421371442 Hartree
432	BD*(1)C4-C7		0.029660248	0.503717030 Hartree
433	BD*(1)C5-O6		0.009878393	0.597788679 Hartree
434	BD*(2)C5-O6		0.125790305	0.019360294 Hartree
435	BD*(1)C7-C8		0.023208190	0.575923323 Hartree
436	BD*(2)C7-C8		0.367401331	0.047627897 Hartree
437	BD*(1)C7-C12		0.023728264	0.575599729 Hartree
438	BD*(1)C8-C9		0.014689090	0.597396096 Hartree
439	BD*(1)C8-H17		0.012809685	0.496907170 Hartree
440	BD*(1)C9-C10		0.015820862	0.591010449 Hartree
441	BD*(2)C9-C10		0.334447474	0.045309188 Hartree
442	BD*(1)C9-H16		0.012178207	0.483652221 Hartree
443	BD*(1)C10-C11		0.015855524	0.587941967 Hartree
444	BD*(1)C10-H15		0.012257838	0.481840186 Hartree
445	BD*(1)C11-C12		0.014514772	0.598135482 Hartree
446	BD*(2)C11-C12		0.314189103	0.046904485 Hartree
447	BD*(1)C11-H14		0.012208876	0.481584959 Hartree
448	BD*(1)C12-H13		0.012313933	0.487462688 Hartree
449	BD*(1)C18-C19		0.024470913	0.565540313 Hartree
450	BD*(2)C18-C19		0.366224893	0.033861525 Hartree
451	BD*(1)C18-C23		0.023930137	0.565534263 Hartree
452	BD*(1)C19-C20		0.014592576	0.583608391 Hartree
453	BD*(1)C19-H28		0.012154725	0.475698027 Hartree
454	BD*(1)C20-C21		0.015651183	0.579210314 Hartree
455	BD*(2)C20-C21		0.330919372	0.034434091 Hartree
456	BD*(1)C20-H27		0.012027955	0.473677948 Hartree
457	BD*(1)C21-C22		0.015727905	0.577852894 Hartree
458	BD*(1)C21-H26		0.012128090	0.473392469 Hartree
459	BD*(1)C22-C23		0.014574450	0.585978349 Hartree
460	BD*(2)C22-C23		0.314124729	0.036159655 Hartree
461	BD*(1)C22-H25		0.012046932	0.474085851 Hartree
462	BD*(1)C23-H24		0.011864893	0.477419539 Hartree
463	BD*(1)C29-C30		0.023930137	0.565534263 Hartree
464	BD*(1)C29-C34		0.024470913	0.565540313 Hartree
465	BD*(2)C29-C34		0.366224893	0.033861525 Hartree
466	BD*(1)C30-C31		0.014574450	0.585978349 Hartree
467	BD*(2)C30-C31		0.314124729	0.036159655 Hartree
468	BD*(1)C30-H39		0.011864893	0.477419539 Hartree
469	BD*(1)C31-C32		0.015727905	0.577852894 Hartree
470	BD*(1)C31-H38		0.012046932	0.474085851 Hartree
471	BD*(1)C32-C33		0.015651183	0.579210315 Hartree
472	BD*(2)C32-C33		0.330919372	0.034434091 Hartree
473	BD*(1)C32-H37		0.012128090	0.473392469 Hartree
474	BD*(1)C33-C34		0.014592576	0.583608391 Hartree
475	BD*(1)C33-H36		0.012027955	0.473677948 Hartree
476	BD*(1)C34-H35		0.012154725	0.475698027 Hartree
477	BD*(1)C40-C41		0.023208190	0.575923323 Hartree
478	BD*(2)C40-C41		0.367401331	0.047627897 Hartree
479	BD*(1)C40-C45		0.023728264	0.575599729 Hartree
480	BD*(1)C41-C42		0.014689090	0.597396096 Hartree
481	BD*(1)C41-H50		0.012809685	0.496907170 Hartree
482	BD*(1)C42-C43		0.015820862	0.591010449 Hartree
483	BD*(2)C42-C43		0.334447474	0.045309188 Hartree
484	BD*(1)C42-H49		0.012178207	0.483652221 Hartree
485	BD*(1)C43-C44		0.015855524	0.587941967 Hartree
486	BD*(1)C43-H48		0.012257838	0.481840186 Hartree
487	BD*(1)C44-C45		0.014514772	0.598135482 Hartree
488	BD*(2)C44-C45		0.314189103	0.046904485 Hartree
489	BD*(1)C44-H47		0.012208876	0.481584959 Hartree
490	BD*(1)C45-H46		0.012313933	0.487462688 Hartree

Quote

A SOLDIER'S LIFE IS A LIFE OF HONOR, BUT A DOG WOULD NOT LEAD IT. -- PRINCE RUPERT, FOUNDER OF THE HUDSON'S BAY COMPANY

WebMO Job Summary

610740: C29H20O, Natural Bond Orbitals - Gaussian

Calculated Quantities

Overview

Rotational Constants

Molecular Orbitals

Natural Population Analysis

Natural Atomic Orbitals

Natural Hybrid Orbitals

Natural Bond Orbitals

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