WebMO Job Summary

Overview

Quantity	Value
Route	#N B3LYP/6-31G(d) SP GFINPUT POP=(FULL,NBORead) Geom=Connectivity
Stoichiometry	C₂₄H₂₅OP
Symmetry	C1
Basis	6-31G(d)
RB3LYP Energy	-1346.14332366 Hartree
Dipole Moment	1.2030 Debye
Server	default (2770049)
CPU time	1176.2 sec

Rotational Constants

Constant	Frequency (GHz)	Frequency (cm^-1)
a	0.2135783	0.00712420524
b	0.1733304	0.00578167980
c	0.1564807	0.00521963431

Molecular Orbitals

Display Range		- / 444
Orbital	Symmetry	Occupancy	Energy	Actions
1	-	2	-77.16404 Hartree
2	-	2	-19.09324 Hartree
3	-	2	-10.22063 Hartree
4	-	2	-10.19777 Hartree
5	-	2	-10.19463 Hartree
6	-	2	-10.19411 Hartree
7	-	2	-10.19259 Hartree
8	-	2	-10.19184 Hartree
9	-	2	-10.19165 Hartree
10	-	2	-10.19156 Hartree
11	-	2	-10.19022 Hartree
12	-	2	-10.18990 Hartree
13	-	2	-10.18969 Hartree
14	-	2	-10.18917 Hartree
15	-	2	-10.18588 Hartree
16	-	2	-10.18533 Hartree
17	-	2	-10.18459 Hartree
18	-	2	-10.18366 Hartree
19	-	2	-10.18357 Hartree
20	-	2	-10.18137 Hartree
21	-	2	-10.18075 Hartree
22	-	2	-10.17586 Hartree
23	-	2	-10.16887 Hartree
24	-	2	-10.16795 Hartree
25	-	2	-10.16768 Hartree
26	-	2	-10.16630 Hartree
27	-	2	-6.61492 Hartree
28	-	2	-4.77830 Hartree
29	-	2	-4.77766 Hartree
30	-	2	-4.77689 Hartree
31	-	2	-0.97650 Hartree
32	-	2	-0.85542 Hartree
33	-	2	-0.85046 Hartree
34	-	2	-0.84219 Hartree
35	-	2	-0.80815 Hartree
36	-	2	-0.76792 Hartree
37	-	2	-0.74461 Hartree
38	-	2	-0.74354 Hartree
39	-	2	-0.74311 Hartree
40	-	2	-0.73723 Hartree
41	-	2	-0.73390 Hartree
42	-	2	-0.72051 Hartree
43	-	2	-0.69805 Hartree
44	-	2	-0.67205 Hartree
45	-	2	-0.62930 Hartree
46	-	2	-0.60515 Hartree
47	-	2	-0.60256 Hartree
48	-	2	-0.59950 Hartree
49	-	2	-0.58996 Hartree
50	-	2	-0.58734 Hartree
51	-	2	-0.56042 Hartree
52	-	2	-0.55661 Hartree
53	-	2	-0.51973 Hartree
54	-	2	-0.51698 Hartree
55	-	2	-0.50888 Hartree
56	-	2	-0.50132 Hartree
57	-	2	-0.47123 Hartree
58	-	2	-0.46681 Hartree
59	-	2	-0.45601 Hartree
60	-	2	-0.45115 Hartree
61	-	2	-0.44876 Hartree
62	-	2	-0.44692 Hartree
63	-	2	-0.44317 Hartree
64	-	2	-0.43981 Hartree
65	-	2	-0.43051 Hartree
66	-	2	-0.42382 Hartree
67	-	2	-0.41966 Hartree
68	-	2	-0.41710 Hartree
69	-	2	-0.41092 Hartree
70	-	2	-0.40681 Hartree
71	-	2	-0.40220 Hartree
72	-	2	-0.39992 Hartree
73	-	2	-0.38490 Hartree
74	-	2	-0.36771 Hartree
75	-	2	-0.36323 Hartree
76	-	2	-0.35869 Hartree
77	-	2	-0.35340 Hartree
78	-	2	-0.34374 Hartree
79	-	2	-0.34276 Hartree
80	-	2	-0.34022 Hartree
81	-	2	-0.33616 Hartree
82	-	2	-0.33516 Hartree
83	-	2	-0.32686 Hartree
84	-	2	-0.32295 Hartree
85	-	2	-0.32237 Hartree
86	-	2	-0.31349 Hartree
87	-	2	-0.30636 Hartree
88	-	2	-0.29066 Hartree
89	-	2	-0.25981 Hartree
90	-	2	-0.25184 Hartree
91	-	2	-0.25147 Hartree
92	-	2	-0.24766 Hartree
93	-	2	-0.24069 Hartree
94	-	2	-0.23908 Hartree
95	-	2	-0.23040 Hartree
96	-	2	-0.22579 Hartree
97	-	0	-0.02475 Hartree
98	-	0	-0.01280 Hartree
99	-	0	-0.00711 Hartree
100	-	0	0.00048 Hartree
101	-	0	0.00261 Hartree
102	-	0	0.01232 Hartree
103	-	0	0.06073 Hartree
104	-	0	0.07726 Hartree
105	-	0	0.09519 Hartree
106	-	0	0.09660 Hartree
107	-	0	0.10170 Hartree
108	-	0	0.10600 Hartree
109	-	0	0.11036 Hartree
110	-	0	0.11768 Hartree
111	-	0	0.13222 Hartree
112	-	0	0.13522 Hartree
113	-	0	0.14167 Hartree
114	-	0	0.14663 Hartree
115	-	0	0.14868 Hartree
116	-	0	0.15275 Hartree
117	-	0	0.15675 Hartree
118	-	0	0.16013 Hartree
119	-	0	0.16223 Hartree
120	-	0	0.16569 Hartree
121	-	0	0.17265 Hartree
122	-	0	0.17771 Hartree
123	-	0	0.17910 Hartree
124	-	0	0.18262 Hartree
125	-	0	0.18453 Hartree
126	-	0	0.19187 Hartree
127	-	0	0.19632 Hartree
128	-	0	0.19738 Hartree
129	-	0	0.20209 Hartree
130	-	0	0.20510 Hartree
131	-	0	0.21212 Hartree
132	-	0	0.22233 Hartree
133	-	0	0.23193 Hartree
134	-	0	0.23868 Hartree
135	-	0	0.24523 Hartree
136	-	0	0.25988 Hartree
137	-	0	0.26465 Hartree
138	-	0	0.26878 Hartree
139	-	0	0.28257 Hartree
140	-	0	0.29063 Hartree
141	-	0	0.29879 Hartree
142	-	0	0.30402 Hartree
143	-	0	0.30934 Hartree
144	-	0	0.31203 Hartree
145	-	0	0.31348 Hartree
146	-	0	0.32289 Hartree
147	-	0	0.32475 Hartree
148	-	0	0.32753 Hartree
149	-	0	0.33165 Hartree
150	-	0	0.34127 Hartree
151	-	0	0.34409 Hartree
152	-	0	0.34621 Hartree
153	-	0	0.35691 Hartree
154	-	0	0.37586 Hartree
155	-	0	0.39868 Hartree
156	-	0	0.42436 Hartree
157	-	0	0.45225 Hartree
158	-	0	0.45768 Hartree
159	-	0	0.50671 Hartree
160	-	0	0.52370 Hartree
161	-	0	0.52823 Hartree
162	-	0	0.52914 Hartree
163	-	0	0.53495 Hartree
164	-	0	0.53791 Hartree
165	-	0	0.53883 Hartree
166	-	0	0.54281 Hartree
167	-	0	0.54678 Hartree
168	-	0	0.55106 Hartree
169	-	0	0.55715 Hartree
170	-	0	0.56207 Hartree
171	-	0	0.56759 Hartree
172	-	0	0.57255 Hartree
173	-	0	0.57502 Hartree
174	-	0	0.57610 Hartree
175	-	0	0.58128 Hartree
176	-	0	0.58360 Hartree
177	-	0	0.58756 Hartree
178	-	0	0.59274 Hartree
179	-	0	0.59645 Hartree
180	-	0	0.59883 Hartree
181	-	0	0.60119 Hartree
182	-	0	0.60268 Hartree
183	-	0	0.60730 Hartree
184	-	0	0.60829 Hartree
185	-	0	0.61335 Hartree
186	-	0	0.61406 Hartree
187	-	0	0.61663 Hartree
188	-	0	0.61857 Hartree
189	-	0	0.62152 Hartree
190	-	0	0.62605 Hartree
191	-	0	0.62788 Hartree
192	-	0	0.63155 Hartree
193	-	0	0.63728 Hartree
194	-	0	0.64799 Hartree
195	-	0	0.64988 Hartree
196	-	0	0.65821 Hartree
197	-	0	0.66091 Hartree
198	-	0	0.66603 Hartree
199	-	0	0.67411 Hartree
200	-	0	0.68064 Hartree
201	-	0	0.69969 Hartree
202	-	0	0.70579 Hartree
203	-	0	0.71374 Hartree
204	-	0	0.74030 Hartree
205	-	0	0.75263 Hartree
206	-	0	0.75942 Hartree
207	-	0	0.77462 Hartree
208	-	0	0.77929 Hartree
209	-	0	0.78797 Hartree
210	-	0	0.80047 Hartree
211	-	0	0.81333 Hartree
212	-	0	0.82267 Hartree
213	-	0	0.82776 Hartree
214	-	0	0.83637 Hartree
215	-	0	0.83699 Hartree
216	-	0	0.84000 Hartree
217	-	0	0.84171 Hartree
218	-	0	0.84636 Hartree
219	-	0	0.84846 Hartree
220	-	0	0.84936 Hartree
221	-	0	0.85191 Hartree
222	-	0	0.86226 Hartree
223	-	0	0.86923 Hartree
224	-	0	0.87273 Hartree
225	-	0	0.87314 Hartree
226	-	0	0.87943 Hartree
227	-	0	0.88293 Hartree
228	-	0	0.88494 Hartree
229	-	0	0.88528 Hartree
230	-	0	0.89329 Hartree
231	-	0	0.89721 Hartree
232	-	0	0.90400 Hartree
233	-	0	0.91085 Hartree
234	-	0	0.91743 Hartree
235	-	0	0.92505 Hartree
236	-	0	0.92822 Hartree
237	-	0	0.93697 Hartree
238	-	0	0.93931 Hartree
239	-	0	0.94171 Hartree
240	-	0	0.95251 Hartree
241	-	0	0.95364 Hartree
242	-	0	0.95904 Hartree
243	-	0	0.96734 Hartree
244	-	0	0.97282 Hartree
245	-	0	0.98381 Hartree
246	-	0	0.98690 Hartree
247	-	0	0.99402 Hartree
248	-	0	1.00109 Hartree
249	-	0	1.00263 Hartree
250	-	0	1.01813 Hartree
251	-	0	1.03028 Hartree
252	-	0	1.03278 Hartree
253	-	0	1.04619 Hartree
254	-	0	1.05496 Hartree
255	-	0	1.06616 Hartree
256	-	0	1.07201 Hartree
257	-	0	1.08697 Hartree
258	-	0	1.10818 Hartree
259	-	0	1.11296 Hartree
260	-	0	1.11810 Hartree
261	-	0	1.12348 Hartree
262	-	0	1.12533 Hartree
263	-	0	1.15133 Hartree
264	-	0	1.16431 Hartree
265	-	0	1.17433 Hartree
266	-	0	1.18269 Hartree
267	-	0	1.18356 Hartree
268	-	0	1.19607 Hartree
269	-	0	1.22014 Hartree
270	-	0	1.24473 Hartree
271	-	0	1.25787 Hartree
272	-	0	1.26016 Hartree
273	-	0	1.28071 Hartree
274	-	0	1.28396 Hartree
275	-	0	1.29659 Hartree
276	-	0	1.30046 Hartree
277	-	0	1.30683 Hartree
278	-	0	1.33706 Hartree
279	-	0	1.35726 Hartree
280	-	0	1.38353 Hartree
281	-	0	1.39130 Hartree
282	-	0	1.40040 Hartree
283	-	0	1.40585 Hartree
284	-	0	1.42669 Hartree
285	-	0	1.43216 Hartree
286	-	0	1.44481 Hartree
287	-	0	1.45307 Hartree
288	-	0	1.46440 Hartree
289	-	0	1.47185 Hartree
290	-	0	1.47502 Hartree
291	-	0	1.48489 Hartree
292	-	0	1.49047 Hartree
293	-	0	1.49181 Hartree
294	-	0	1.49536 Hartree
295	-	0	1.50196 Hartree
296	-	0	1.51028 Hartree
297	-	0	1.51067 Hartree
298	-	0	1.51992 Hartree
299	-	0	1.52228 Hartree
300	-	0	1.53100 Hartree
301	-	0	1.54237 Hartree
302	-	0	1.55950 Hartree
303	-	0	1.59245 Hartree
304	-	0	1.60957 Hartree
305	-	0	1.64105 Hartree
306	-	0	1.64551 Hartree
307	-	0	1.69889 Hartree
308	-	0	1.72840 Hartree
309	-	0	1.74388 Hartree
310	-	0	1.75918 Hartree
311	-	0	1.76823 Hartree
312	-	0	1.78376 Hartree
313	-	0	1.78565 Hartree
314	-	0	1.80099 Hartree
315	-	0	1.80300 Hartree
316	-	0	1.80769 Hartree
317	-	0	1.81874 Hartree
318	-	0	1.82998 Hartree
319	-	0	1.84025 Hartree
320	-	0	1.84957 Hartree
321	-	0	1.85804 Hartree
322	-	0	1.86264 Hartree
323	-	0	1.87255 Hartree
324	-	0	1.88337 Hartree
325	-	0	1.89726 Hartree
326	-	0	1.90688 Hartree
327	-	0	1.91598 Hartree
328	-	0	1.92634 Hartree
329	-	0	1.94863 Hartree
330	-	0	1.97306 Hartree
331	-	0	1.98646 Hartree
332	-	0	1.98846 Hartree
333	-	0	1.99068 Hartree
334	-	0	1.99567 Hartree
335	-	0	2.00376 Hartree
336	-	0	2.00610 Hartree
337	-	0	2.02192 Hartree
338	-	0	2.02595 Hartree
339	-	0	2.03001 Hartree
340	-	0	2.05298 Hartree
341	-	0	2.08097 Hartree
342	-	0	2.08821 Hartree
343	-	0	2.09264 Hartree
344	-	0	2.09912 Hartree
345	-	0	2.10799 Hartree
346	-	0	2.11992 Hartree
347	-	0	2.14001 Hartree
348	-	0	2.14400 Hartree
349	-	0	2.14837 Hartree
350	-	0	2.14968 Hartree
351	-	0	2.15164 Hartree
352	-	0	2.15409 Hartree
353	-	0	2.15582 Hartree
354	-	0	2.15902 Hartree
355	-	0	2.16194 Hartree
356	-	0	2.16406 Hartree
357	-	0	2.16710 Hartree
358	-	0	2.17364 Hartree
359	-	0	2.18071 Hartree
360	-	0	2.18789 Hartree
361	-	0	2.20724 Hartree
362	-	0	2.21567 Hartree
363	-	0	2.24316 Hartree
364	-	0	2.25481 Hartree
365	-	0	2.27643 Hartree
366	-	0	2.29327 Hartree
367	-	0	2.29953 Hartree
368	-	0	2.30407 Hartree
369	-	0	2.31222 Hartree
370	-	0	2.31411 Hartree
371	-	0	2.31783 Hartree
372	-	0	2.32977 Hartree
373	-	0	2.33128 Hartree
374	-	0	2.34460 Hartree
375	-	0	2.35000 Hartree
376	-	0	2.36685 Hartree
377	-	0	2.38686 Hartree
378	-	0	2.41726 Hartree
379	-	0	2.44939 Hartree
380	-	0	2.49870 Hartree
381	-	0	2.55086 Hartree
382	-	0	2.56203 Hartree
383	-	0	2.57030 Hartree
384	-	0	2.58318 Hartree
385	-	0	2.58753 Hartree
386	-	0	2.59300 Hartree
387	-	0	2.59454 Hartree
388	-	0	2.60602 Hartree
389	-	0	2.64657 Hartree
390	-	0	2.64970 Hartree
391	-	0	2.65532 Hartree
392	-	0	2.66129 Hartree
393	-	0	2.67402 Hartree
394	-	0	2.67840 Hartree
395	-	0	2.68504 Hartree
396	-	0	2.69794 Hartree
397	-	0	2.70524 Hartree
398	-	0	2.71278 Hartree
399	-	0	2.71445 Hartree
400	-	0	2.72059 Hartree
401	-	0	2.74524 Hartree
402	-	0	2.75584 Hartree
403	-	0	2.76789 Hartree
404	-	0	2.77737 Hartree
405	-	0	2.78037 Hartree
406	-	0	2.78616 Hartree
407	-	0	2.79806 Hartree
408	-	0	2.80353 Hartree
409	-	0	2.80910 Hartree
410	-	0	2.82548 Hartree
411	-	0	2.88143 Hartree
412	-	0	3.04590 Hartree
413	-	0	3.05254 Hartree
414	-	0	3.06573 Hartree
415	-	0	3.07623 Hartree
416	-	0	3.35410 Hartree
417	-	0	3.38689 Hartree
418	-	0	3.38944 Hartree
419	-	0	3.66357 Hartree
420	-	0	4.09081 Hartree
421	-	0	4.09289 Hartree
422	-	0	4.09860 Hartree
423	-	0	4.10379 Hartree
424	-	0	4.12490 Hartree
425	-	0	4.13167 Hartree
426	-	0	4.14047 Hartree
427	-	0	4.19752 Hartree
428	-	0	4.20769 Hartree
429	-	0	4.25170 Hartree
430	-	0	4.26128 Hartree
431	-	0	4.30293 Hartree
432	-	0	4.30762 Hartree
433	-	0	4.33877 Hartree
434	-	0	4.36596 Hartree
435	-	0	4.38959 Hartree
436	-	0	4.40467 Hartree
437	-	0	4.43535 Hartree
438	-	0	4.46456 Hartree
439	-	0	4.52569 Hartree
440	-	0	4.63656 Hartree
441	-	0	4.68486 Hartree
442	-	0	4.69623 Hartree
443	-	0	4.70085 Hartree
444	-	0	4.76877 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom	Symbol	Charge
1	P	1.77719
2	C	-0.76977
3	C	0.26215
4	C	-0.47508
5	C	-0.46233
6	C	-0.46181
7	C	-0.46565
8	H	0.22929
9	H	0.23416
10	H	0.23322
11	H	0.24035
12	H	0.23328
13	H	0.23590
14	H	0.24187
15	H	0.22914
16	O	-0.86561
17	H	0.26012
18	H	0.26438
19	C	-0.39229
20	C	-0.23545
21	C	-0.22961
22	C	-0.23507
23	C	-0.23231
24	C	-0.24682
25	H	0.23321
26	H	0.23458
27	H	0.23429
28	H	0.23431
29	H	0.24126
30	C	-0.39328
31	C	-0.21813
32	C	-0.23488
33	C	-0.21543
34	C	-0.23395
35	C	-0.20065
36	H	0.26832
37	H	0.23859
38	H	0.23700
39	H	0.23833
40	H	0.25129
41	C	-0.38089
42	C	-0.21581
43	C	-0.23275
44	C	-0.22441
45	C	-0.23346
46	C	-0.19798
47	H	0.24385
48	H	0.23788
49	H	0.23686
50	H	0.23840
51	H	0.24420

Natural Atomic Orbitals

Display Range		- / 444
Orbital	Description	Occupancy	Energy	Actions
1	P1 Cor(1S)	1.999999030	-76.162035215 Hartree
2	P1 Cor(2S)	1.998440424	-7.437549914 Hartree
3	P1 Val(3S)	1.014030656	-0.346989333 Hartree
4	P1 Ryd(4S)	0.003299173	0.942036954 Hartree
5	P1 Ryd(5S)	0.000014616	3.400698445 Hartree
6	P1 Cor(2p)	1.999769418	-4.768259908 Hartree
7	P1 Val(3p)	0.683978408	-0.000343013 Hartree
8	P1 Ryd(4p)	0.009118293	0.788484267 Hartree
9	P1 Cor(2p)	1.999815194	-4.768860386 Hartree
10	P1 Val(3p)	0.713312969	-0.047896289 Hartree
11	P1 Ryd(4p)	0.006519214	0.571398272 Hartree
12	P1 Cor(2p)	1.999783933	-4.767196202 Hartree
13	P1 Val(3p)	0.738503345	-0.021031620 Hartree
14	P1 Ryd(4p)	0.003102371	0.571118789 Hartree
15	P1 Ryd(3d)	0.007486518	1.099161753 Hartree
16	P1 Ryd(3d)	0.010615404	1.205520720 Hartree
17	P1 Ryd(3d)	0.008764982	1.194301278 Hartree
18	P1 Ryd(3d)	0.015434855	1.312889039 Hartree
19	P1 Ryd(3d)	0.010825952	1.049114253 Hartree
20	C2 Cor(1S)	1.999142846	-10.042294110 Hartree
21	C2 Val(2S)	1.121725491	-0.292652385 Hartree
22	C2 Ryd(3S)	0.003697335	1.481335494 Hartree
23	C2 Ryd(4S)	0.000031408	4.263167109 Hartree
24	C2 Val(2p)	1.091739882	-0.107136914 Hartree
25	C2 Ryd(3p)	0.001836432	0.741386865 Hartree
26	C2 Val(2p)	1.279256531	-0.099718712 Hartree
27	C2 Ryd(3p)	0.002985732	1.005191439 Hartree
28	C2 Val(2p)	1.260929049	-0.133008371 Hartree
29	C2 Ryd(3p)	0.004577980	0.711261213 Hartree
30	C2 Ryd(3d)	0.000511465	1.990843789 Hartree
31	C2 Ryd(3d)	0.000942474	2.125120488 Hartree
32	C2 Ryd(3d)	0.000762764	2.167075519 Hartree
33	C2 Ryd(3d)	0.000855662	2.204484258 Hartree
34	C2 Ryd(3d)	0.000777793	1.990842516 Hartree
35	C3 Cor(1S)	1.999014659	-10.085847631 Hartree
36	C3 Val(2S)	0.876852216	-0.176152506 Hartree
37	C3 Ryd(3S)	0.002244262	1.564593394 Hartree
38	C3 Ryd(4S)	0.000045703	4.479844216 Hartree
39	C3 Val(2p)	1.024009954	-0.069524354 Hartree
40	C3 Ryd(3p)	0.005419035	0.987699656 Hartree
41	C3 Val(2p)	1.040953825	-0.065792692 Hartree
42	C3 Ryd(3p)	0.004869054	0.907727206 Hartree
43	C3 Val(2p)	0.768869869	-0.039876851 Hartree
44	C3 Ryd(3p)	0.008524903	0.851535351 Hartree
45	C3 Ryd(3d)	0.001057038	2.330213335 Hartree
46	C3 Ryd(3d)	0.001619177	2.265912209 Hartree
47	C3 Ryd(3d)	0.001451962	2.071812942 Hartree
48	C3 Ryd(3d)	0.000941178	2.223557178 Hartree
49	C3 Ryd(3d)	0.001974875	2.345715692 Hartree
50	C4 Cor(1S)	1.999220466	-10.025309883 Hartree
51	C4 Val(2S)	1.037636371	-0.218138834 Hartree
52	C4 Ryd(3S)	0.000836776	1.533574617 Hartree
53	C4 Ryd(4S)	0.000022805	4.288034413 Hartree
54	C4 Val(2p)	1.054338421	-0.059494169 Hartree
55	C4 Ryd(3p)	0.002165757	0.697858159 Hartree
56	C4 Val(2p)	1.154359139	-0.058518742 Hartree
57	C4 Ryd(3p)	0.002773672	0.697440823 Hartree
58	C4 Val(2p)	1.216835000	-0.063709272 Hartree
59	C4 Ryd(3p)	0.003306517	0.885885234 Hartree
60	C4 Ryd(3d)	0.000839901	2.238410015 Hartree
61	C4 Ryd(3d)	0.000390441	2.044193299 Hartree
62	C4 Ryd(3d)	0.000557995	2.117792964 Hartree
63	C4 Ryd(3d)	0.000693513	2.142148882 Hartree
64	C4 Ryd(3d)	0.001101195	2.228469563 Hartree
65	C5 Cor(1S)	1.999374488	-10.036013828 Hartree
66	C5 Val(2S)	1.044598487	-0.220619766 Hartree
67	C5 Ryd(3S)	0.000496205	1.506684713 Hartree
68	C5 Ryd(4S)	0.000013537	4.249005145 Hartree
69	C5 Val(2p)	1.122296779	-0.052332726 Hartree
70	C5 Ryd(3p)	0.002340837	0.703658717 Hartree
71	C5 Val(2p)	1.058024858	-0.053260794 Hartree
72	C5 Ryd(3p)	0.001629115	0.637940570 Hartree
73	C5 Val(2p)	1.226907964	-0.058999521 Hartree
74	C5 Ryd(3p)	0.003184152	0.849108030 Hartree
75	C5 Ryd(3d)	0.000698993	2.080195157 Hartree
76	C5 Ryd(3d)	0.000601569	2.121581579 Hartree
77	C5 Ryd(3d)	0.000561677	1.990205053 Hartree
78	C5 Ryd(3d)	0.000710212	2.247085456 Hartree
79	C5 Ryd(3d)	0.000887498	2.198259519 Hartree
80	C6 Cor(1S)	1.999367331	-10.034443068 Hartree
81	C6 Val(2S)	1.044136031	-0.219640459 Hartree
82	C6 Ryd(3S)	0.000488836	1.518652521 Hartree
83	C6 Ryd(4S)	0.000014821	4.252698620 Hartree
84	C6 Val(2p)	1.121288519	-0.051772958 Hartree
85	C6 Ryd(3p)	0.002580755	0.735302132 Hartree
86	C6 Val(2p)	1.073398916	-0.052910589 Hartree
87	C6 Ryd(3p)	0.001649032	0.637215811 Hartree
88	C6 Val(2p)	1.212413079	-0.058269475 Hartree
89	C6 Ryd(3p)	0.002999211	0.836114284 Hartree
90	C6 Ryd(3d)	0.000629207	2.041507819 Hartree
91	C6 Ryd(3d)	0.000639072	2.163818876 Hartree
92	C6 Ryd(3d)	0.000700433	2.044744074 Hartree
93	C6 Ryd(3d)	0.000742022	2.274190748 Hartree
94	C6 Ryd(3d)	0.000759354	2.129379498 Hartree
95	C7 Cor(1S)	1.999208809	-10.026154565 Hartree
96	C7 Val(2S)	1.034927006	-0.217399047 Hartree
97	C7 Ryd(3S)	0.000694661	1.508647186 Hartree
98	C7 Ryd(4S)	0.000024253	4.303081451 Hartree
99	C7 Val(2p)	1.061990564	-0.060459533 Hartree
100	C7 Ryd(3p)	0.001968756	0.702033234 Hartree
101	C7 Val(2p)	1.162558200	-0.059905403 Hartree
102	C7 Ryd(3p)	0.003352734	0.752816455 Hartree
103	C7 Val(2p)	1.194684950	-0.063214819 Hartree
104	C7 Ryd(3p)	0.002623520	0.794415641 Hartree
105	C7 Ryd(3d)	0.000878819	2.198787211 Hartree
106	C7 Ryd(3d)	0.000425728	2.113447999 Hartree
107	C7 Ryd(3d)	0.000274669	2.044802589 Hartree
108	C7 Ryd(3d)	0.000751772	2.171953348 Hartree
109	C7 Ryd(3d)	0.001282935	2.245050615 Hartree
110	H8 Val(1S)	0.769325277	0.093322482 Hartree
111	H8 Ryd(2S)	0.001388778	0.675115456 Hartree
112	H9 Val(1S)	0.764620307	0.109420583 Hartree
113	H9 Ryd(2S)	0.001215040	0.757202128 Hartree
114	H10 Val(1S)	0.765823304	0.110169759 Hartree
115	H10 Ryd(2S)	0.000958445	0.644666946 Hartree
116	H11 Val(1S)	0.758062025	0.118337031 Hartree
117	H11 Ryd(2S)	0.001583113	0.664827333 Hartree
118	H12 Val(1S)	0.765715526	0.109311769 Hartree
119	H12 Ryd(2S)	0.001006704	0.646205571 Hartree
120	H13 Val(1S)	0.762773261	0.113811348 Hartree
121	H13 Ryd(2S)	0.001330330	0.678409081 Hartree
122	H14 Val(1S)	0.756975258	0.113852303 Hartree
123	H14 Ryd(2S)	0.001150028	0.738113647 Hartree
124	H15 Val(1S)	0.769484868	0.094130081 Hartree
125	H15 Ryd(2S)	0.001375188	0.678186643 Hartree
126	O16 Cor(1S)	1.999840804	-18.866308028 Hartree
127	O16 Val(2S)	1.720181616	-0.870629740 Hartree
128	O16 Ryd(3S)	0.003035319	2.037289848 Hartree
129	O16 Ryd(4S)	0.000135940	3.606245366 Hartree
130	O16 Val(2p)	1.654748946	-0.256371302 Hartree
131	O16 Ryd(3p)	0.003033163	1.335648972 Hartree
132	O16 Val(2p)	1.880764803	-0.242738894 Hartree
133	O16 Ryd(3p)	0.001585427	1.300809142 Hartree
134	O16 Val(2p)	1.594717153	-0.247642606 Hartree
135	O16 Ryd(3p)	0.001141118	1.356987217 Hartree
136	O16 Ryd(3d)	0.000724863	1.985606916 Hartree
137	O16 Ryd(3d)	0.001575154	2.246256955 Hartree
138	O16 Ryd(3d)	0.001298666	2.131786807 Hartree
139	O16 Ryd(3d)	0.001299548	2.120338907 Hartree
140	O16 Ryd(3d)	0.001529248	2.431100167 Hartree
141	H17 Val(1S)	0.738751457	0.096572228 Hartree
142	H17 Ryd(2S)	0.001132763	0.701751757 Hartree
143	H18 Val(1S)	0.734464783	0.090897543 Hartree
144	H18 Ryd(2S)	0.001155071	0.697232533 Hartree
145	C19 Cor(1S)	1.998934620	-10.029005355 Hartree
146	C19 Val(2S)	1.007057418	-0.193852665 Hartree
147	C19 Ryd(3S)	0.005694975	1.311979172 Hartree
148	C19 Ryd(4S)	0.000050748	4.350901936 Hartree
149	C19 Val(2p)	1.192073915	-0.108069593 Hartree
150	C19 Ryd(3p)	0.009484893	1.059230202 Hartree
151	C19 Val(2p)	1.067693013	-0.054923486 Hartree
152	C19 Ryd(3p)	0.006670982	0.921814676 Hartree
153	C19 Val(2p)	1.096225740	-0.095393589 Hartree
154	C19 Ryd(3p)	0.005367499	0.924636190 Hartree
155	C19 Ryd(3d)	0.000605306	2.345597787 Hartree
156	C19 Ryd(3d)	0.000575514	2.109380175 Hartree
157	C19 Ryd(3d)	0.000587550	2.267242973 Hartree
158	C19 Ryd(3d)	0.000745394	2.188049170 Hartree
159	C19 Ryd(3d)	0.000524904	2.043690000 Hartree
160	C20 Cor(1S)	1.999007228	-10.027957463 Hartree
161	C20 Val(2S)	0.949848446	-0.150588365 Hartree
162	C20 Ryd(3S)	0.001044703	1.131915336 Hartree
163	C20 Ryd(4S)	0.000047924	4.175849508 Hartree
164	C20 Val(2p)	1.052487474	-0.044804754 Hartree
165	C20 Ryd(3p)	0.003233664	0.765415493 Hartree
166	C20 Val(2p)	1.163897618	-0.050973727 Hartree
167	C20 Ryd(3p)	0.005755991	1.015724304 Hartree
168	C20 Val(2p)	1.054765821	-0.070560567 Hartree
169	C20 Ryd(3p)	0.002570482	0.820167288 Hartree
170	C20 Ryd(3d)	0.000496297	2.291509773 Hartree
171	C20 Ryd(3d)	0.000478638	2.301419943 Hartree
172	C20 Ryd(3d)	0.000689110	2.106415094 Hartree
173	C20 Ryd(3d)	0.000725152	2.240208700 Hartree
174	C20 Ryd(3d)	0.000405495	2.015468958 Hartree
175	C21 Cor(1S)	1.999089635	-10.035885512 Hartree
176	C21 Val(2S)	0.960476684	-0.159061959 Hartree
177	C21 Ryd(3S)	0.000623725	1.250459029 Hartree
178	C21 Ryd(4S)	0.000032924	3.990697087 Hartree
179	C21 Val(2p)	1.103666447	-0.049856580 Hartree
180	C21 Ryd(3p)	0.004002867	0.869466476 Hartree
181	C21 Val(2p)	1.128605060	-0.047095599 Hartree
182	C21 Ryd(3p)	0.004354800	0.939034042 Hartree
183	C21 Val(2p)	1.023833107	-0.065546660 Hartree
184	C21 Ryd(3p)	0.002150945	0.662945939 Hartree
185	C21 Ryd(3d)	0.000852340	2.203693626 Hartree
186	C21 Ryd(3d)	0.000400658	2.257497075 Hartree
187	C21 Ryd(3d)	0.000425972	2.184661345 Hartree
188	C21 Ryd(3d)	0.000495657	2.170007945 Hartree
189	C21 Ryd(3d)	0.000602742	2.031311263 Hartree
190	C22 Cor(1S)	1.999084780	-10.037116005 Hartree
191	C22 Val(2S)	0.962284898	-0.161817210 Hartree
192	C22 Ryd(3S)	0.000574137	1.195792523 Hartree
193	C22 Ryd(4S)	0.000042659	4.023943244 Hartree
194	C22 Val(2p)	1.134547076	-0.056350612 Hartree
195	C22 Ryd(3p)	0.003947193	0.963105821 Hartree
196	C22 Val(2p)	1.056435196	-0.037667984 Hartree
197	C22 Ryd(3p)	0.003937318	0.689938284 Hartree
198	C22 Val(2p)	1.068986338	-0.074154197 Hartree
199	C22 Ryd(3p)	0.002460652	0.798169662 Hartree
200	C22 Ryd(3d)	0.000539257	2.279224442 Hartree
201	C22 Ryd(3d)	0.000697090	2.134442680 Hartree
202	C22 Ryd(3d)	0.000495674	2.211046715 Hartree
203	C22 Ryd(3d)	0.000661066	2.206651964 Hartree
204	C22 Ryd(3d)	0.000381114	1.991495995 Hartree
205	C23 Cor(1S)	1.999076264	-10.036702558 Hartree
206	C23 Val(2S)	0.959211244	-0.160033382 Hartree
207	C23 Ryd(3S)	0.000663006	1.225078500 Hartree
208	C23 Ryd(4S)	0.000034212	4.003901403 Hartree
209	C23 Val(2p)	1.052088062	-0.043869453 Hartree
210	C23 Ryd(3p)	0.003610844	0.687853936 Hartree
211	C23 Val(2p)	1.149170347	-0.052083540 Hartree
212	C23 Ryd(3p)	0.004610313	1.001060436 Hartree
213	C23 Val(2p)	1.058594493	-0.072672005 Hartree
214	C23 Ryd(3p)	0.002460430	0.768475180 Hartree
215	C23 Ryd(3d)	0.000530268	2.271654428 Hartree
216	C23 Ryd(3d)	0.000453510	2.272577008 Hartree
217	C23 Ryd(3d)	0.000687644	2.092122512 Hartree
218	C23 Ryd(3d)	0.000704746	2.197538287 Hartree
219	C23 Ryd(3d)	0.000415686	2.007069179 Hartree
220	C24 Cor(1S)	1.999022912	-10.031538619 Hartree
221	C24 Val(2S)	0.948928032	-0.156823674 Hartree
222	C24 Ryd(3S)	0.001181969	1.110644780 Hartree
223	C24 Ryd(4S)	0.000056684	4.229943551 Hartree
224	C24 Val(2p)	1.113388472	-0.058204446 Hartree
225	C24 Ryd(3p)	0.004196336	0.927443691 Hartree
226	C24 Val(2p)	1.138542403	-0.054392508 Hartree
227	C24 Ryd(3p)	0.005080303	0.951851451 Hartree
228	C24 Val(2p)	1.031429952	-0.072238564 Hartree
229	C24 Ryd(3p)	0.002180114	0.734422049 Hartree
230	C24 Ryd(3d)	0.000867891	2.204889195 Hartree
231	C24 Ryd(3d)	0.000425725	2.263180287 Hartree
232	C24 Ryd(3d)	0.000411559	2.215382536 Hartree
233	C24 Ryd(3d)	0.000477075	2.199531047 Hartree
234	C24 Ryd(3d)	0.000631750	2.036571605 Hartree
235	H25 Val(1S)	0.765646176	0.098854412 Hartree
236	H25 Ryd(2S)	0.001138910	0.659974772 Hartree
237	H26 Val(1S)	0.764471974	0.097737129 Hartree
238	H26 Ryd(2S)	0.000948354	0.569536952 Hartree
239	H27 Val(1S)	0.764842249	0.098493433 Hartree
240	H27 Ryd(2S)	0.000872460	0.568407596 Hartree
241	H28 Val(1S)	0.764758513	0.099686140 Hartree
242	H28 Ryd(2S)	0.000934378	0.571689998 Hartree
243	H29 Val(1S)	0.757534820	0.112829610 Hartree
244	H29 Ryd(2S)	0.001201357	0.690369563 Hartree
245	C30 Cor(1S)	1.998846158	-10.051805261 Hartree
246	C30 Val(2S)	0.976013368	-0.202940787 Hartree
247	C30 Ryd(3S)	0.003043616	1.254987048 Hartree
248	C30 Ryd(4S)	0.000054524	4.378655204 Hartree
249	C30 Val(2p)	1.098989258	-0.066844678 Hartree
250	C30 Ryd(3p)	0.006667133	0.957411055 Hartree
251	C30 Val(2p)	1.165199124	-0.134389267 Hartree
252	C30 Ryd(3p)	0.006912168	1.007427777 Hartree
253	C30 Val(2p)	1.129302345	-0.123474744 Hartree
254	C30 Ryd(3p)	0.005223130	0.947585897 Hartree
255	C30 Ryd(3d)	0.000610601	2.281085436 Hartree
256	C30 Ryd(3d)	0.000597190	2.196205428 Hartree
257	C30 Ryd(3d)	0.000739216	2.160850962 Hartree
258	C30 Ryd(3d)	0.000743126	2.232738249 Hartree
259	C30 Ryd(3d)	0.000334681	2.040216894 Hartree
260	C31 Cor(1S)	1.999021594	-10.039641944 Hartree
261	C31 Val(2S)	0.951015992	-0.161537418 Hartree
262	C31 Ryd(3S)	0.001009654	1.126727185 Hartree
263	C31 Ryd(4S)	0.000053356	4.173257109 Hartree
264	C31 Val(2p)	1.170750774	-0.054515191 Hartree
265	C31 Ryd(3p)	0.005346093	1.021795756 Hartree
266	C31 Val(2p)	1.042390133	-0.065326084 Hartree
267	C31 Ryd(3p)	0.003018394	0.801855056 Hartree
268	C31 Val(2p)	1.040020289	-0.079530827 Hartree
269	C31 Ryd(3p)	0.002696318	0.823231377 Hartree
270	C31 Ryd(3d)	0.000557860	2.214837053 Hartree
271	C31 Ryd(3d)	0.000646064	2.079302169 Hartree
272	C31 Ryd(3d)	0.000432681	2.339569983 Hartree
273	C31 Ryd(3d)	0.000698073	2.269236721 Hartree
274	C31 Ryd(3d)	0.000477510	2.023192718 Hartree
275	C32 Cor(1S)	1.999083771	-10.043838784 Hartree
276	C32 Val(2S)	0.959707474	-0.167178300 Hartree
277	C32 Ryd(3S)	0.000647588	1.246106407 Hartree
278	C32 Ryd(4S)	0.000033281	3.979649207 Hartree
279	C32 Val(2p)	1.161533495	-0.052087869 Hartree
280	C32 Ryd(3p)	0.005044710	1.017554463 Hartree
281	C32 Val(2p)	1.069817015	-0.063365336 Hartree
282	C32 Ryd(3p)	0.003314349	0.764348366 Hartree
283	C32 Val(2p)	1.030714408	-0.073263687 Hartree
284	C32 Ryd(3p)	0.002234394	0.667854928 Hartree
285	C32 Ryd(3d)	0.000722020	2.155800301 Hartree
286	C32 Ryd(3d)	0.000474857	2.099747811 Hartree
287	C32 Ryd(3d)	0.000403365	2.338706425 Hartree
288	C32 Ryd(3d)	0.000592584	2.198094939 Hartree
289	C32 Ryd(3d)	0.000555107	2.024202125 Hartree
290	C33 Cor(1S)	1.999087966	-10.046936522 Hartree
291	C33 Val(2S)	0.965187114	-0.171230674 Hartree
292	C33 Ryd(3S)	0.000554628	1.222854693 Hartree
293	C33 Ryd(4S)	0.000038674	3.983969494 Hartree
294	C33 Val(2p)	1.061764822	-0.037182860 Hartree
295	C33 Ryd(3p)	0.004299747	0.687586862 Hartree
296	C33 Val(2p)	1.112658513	-0.071958353 Hartree
297	C33 Ryd(3p)	0.003428312	0.926507873 Hartree
298	C33 Val(2p)	1.063054380	-0.081668781 Hartree
299	C33 Ryd(3p)	0.002544060	0.819738364 Hartree
300	C33 Ryd(3d)	0.000569318	2.233561767 Hartree
301	C33 Ryd(3d)	0.000548913	2.151359529 Hartree
302	C33 Ryd(3d)	0.000694043	2.178073095 Hartree
303	C33 Ryd(3d)	0.000626568	2.245230358 Hartree
304	C33 Ryd(3d)	0.000373328	1.974325572 Hartree
305	C34 Cor(1S)	1.999084130	-10.042120228 Hartree
306	C34 Val(2S)	0.961488802	-0.165546841 Hartree
307	C34 Ryd(3S)	0.000613116	1.255115095 Hartree
308	C34 Ryd(4S)	0.000036272	3.976617728 Hartree
309	C34 Val(2p)	1.156482390	-0.049381451 Hartree
310	C34 Ryd(3p)	0.004806013	1.009820226 Hartree
311	C34 Val(2p)	1.049916680	-0.057772974 Hartree
312	C34 Ryd(3p)	0.003087499	0.704083747 Hartree
313	C34 Val(2p)	1.053205792	-0.074405404 Hartree
314	C34 Ryd(3p)	0.002468323	0.744777480 Hartree
315	C34 Ryd(3d)	0.000578126	2.203375476 Hartree
316	C34 Ryd(3d)	0.000652363	2.065413454 Hartree
317	C34 Ryd(3d)	0.000432191	2.334269212 Hartree
318	C34 Ryd(3d)	0.000661536	2.220108931 Hartree
319	C34 Ryd(3d)	0.000441706	2.003498890 Hartree
320	C35 Cor(1S)	1.999021446	-10.032692200 Hartree
321	C35 Val(2S)	0.957320016	-0.155982983 Hartree
322	C35 Ryd(3S)	0.001119416	1.126539196 Hartree
323	C35 Ryd(4S)	0.000055409	4.182834811 Hartree
324	C35 Val(2p)	1.177101621	-0.049089395 Hartree
325	C35 Ryd(3p)	0.005870194	1.017061428 Hartree
326	C35 Val(2p)	1.056076978	-0.056789685 Hartree
327	C35 Ryd(3p)	0.003893994	0.872321188 Hartree
328	C35 Val(2p)	0.994948788	-0.067349189 Hartree
329	C35 Ryd(3p)	0.002432015	0.747816152 Hartree
330	C35 Ryd(3d)	0.000735718	2.188077727 Hartree
331	C35 Ryd(3d)	0.000490838	2.142531653 Hartree
332	C35 Ryd(3d)	0.000415923	2.350062057 Hartree
333	C35 Ryd(3d)	0.000590419	2.241997596 Hartree
334	C35 Ryd(3d)	0.000574792	2.040225969 Hartree
335	H36 Val(1S)	0.729422823	0.136696106 Hartree
336	H36 Ryd(2S)	0.002254236	0.747526023 Hartree
337	H37 Val(1S)	0.760544021	0.097961707 Hartree
338	H37 Ryd(2S)	0.000863042	0.567778941 Hartree
339	H38 Val(1S)	0.762152231	0.093413189 Hartree
340	H38 Ryd(2S)	0.000847225	0.562352632 Hartree
341	H39 Val(1S)	0.760814469	0.095032253 Hartree
342	H39 Ryd(2S)	0.000858204	0.564699922 Hartree
343	H40 Val(1S)	0.747520659	0.109729467 Hartree
344	H40 Ryd(2S)	0.001186809	0.721498716 Hartree
345	C41 Cor(1S)	1.998857229	-10.046758634 Hartree
346	C41 Val(2S)	0.973067400	-0.202266878 Hartree
347	C41 Ryd(3S)	0.003573153	1.243977059 Hartree
348	C41 Ryd(4S)	0.000060206	4.374187162 Hartree
349	C41 Val(2p)	1.079255304	-0.087935170 Hartree
350	C41 Ryd(3p)	0.004672532	0.935672137 Hartree
351	C41 Val(2p)	1.181607681	-0.117185236 Hartree
352	C41 Ryd(3p)	0.009110171	1.102302338 Hartree
353	C41 Val(2p)	1.121854291	-0.114951283 Hartree
354	C41 Ryd(3p)	0.005652694	0.931425418 Hartree
355	C41 Ryd(3d)	0.000580714	2.243935371 Hartree
356	C41 Ryd(3d)	0.000496404	2.371308601 Hartree
357	C41 Ryd(3d)	0.000895985	2.074735309 Hartree
358	C41 Ryd(3d)	0.000790476	2.224308164 Hartree
359	C41 Ryd(3d)	0.000414600	2.049279144 Hartree
360	C42 Cor(1S)	1.999017008	-10.039209605 Hartree
361	C42 Val(2S)	0.947837797	-0.158651598 Hartree
362	C42 Ryd(3S)	0.000953819	1.133875097 Hartree
363	C42 Ryd(4S)	0.000050613	4.183510901 Hartree
364	C42 Val(2p)	1.057601056	-0.068847751 Hartree
365	C42 Ryd(3p)	0.003020544	0.812773182 Hartree
366	C42 Val(2p)	1.165686374	-0.056981177 Hartree
367	C42 Ryd(3p)	0.005507367	1.063004364 Hartree
368	C42 Val(2p)	1.030758888	-0.068268063 Hartree
369	C42 Ryd(3p)	0.002567909	0.738100369 Hartree
370	C42 Ryd(3d)	0.000729098	2.163494077 Hartree
371	C42 Ryd(3d)	0.000423035	2.358225005 Hartree
372	C42 Ryd(3d)	0.000462199	2.216560728 Hartree
373	C42 Ryd(3d)	0.000548034	2.151907367 Hartree
374	C42 Ryd(3d)	0.000641664	2.034421482 Hartree
375	C43 Cor(1S)	1.999086061	-10.042663095 Hartree
376	C43 Val(2S)	0.959798875	-0.165690437 Hartree
377	C43 Ryd(3S)	0.000641191	1.245617624 Hartree
378	C43 Ryd(4S)	0.000032473	3.983716985 Hartree
379	C43 Val(2p)	1.107746675	-0.073451294 Hartree
380	C43 Ryd(3p)	0.003296691	0.900312999 Hartree
381	C43 Val(2p)	1.057012484	-0.037531338 Hartree
382	C43 Ryd(3p)	0.004145860	0.695216921 Hartree
383	C43 Val(2p)	1.095116230	-0.072430268 Hartree
384	C43 Ryd(3p)	0.003095058	0.855748674 Hartree
385	C43 Ryd(3d)	0.000546297	2.215258799 Hartree
386	C43 Ryd(3d)	0.000708144	2.194672130 Hartree
387	C43 Ryd(3d)	0.000532050	2.225362712 Hartree
388	C43 Ryd(3d)	0.000565954	2.206711625 Hartree
389	C43 Ryd(3d)	0.000423369	1.978481094 Hartree
390	C44 Cor(1S)	1.999091932	-10.044510131 Hartree
391	C44 Val(2S)	0.963959215	-0.168916359 Hartree
392	C44 Ryd(3S)	0.000564898	1.211675718 Hartree
393	C44 Ryd(4S)	0.000039343	3.999335794 Hartree
394	C44 Val(2p)	1.038425888	-0.063650405 Hartree
395	C44 Ryd(3p)	0.002780866	0.690705579 Hartree
396	C44 Val(2p)	1.137926884	-0.049999990 Hartree
397	C44 Ryd(3p)	0.004562101	0.947888353 Hartree
398	C44 Val(2p)	1.071337008	-0.071330062 Hartree
399	C44 Ryd(3p)	0.002926834	0.802918208 Hartree
400	C44 Ryd(3d)	0.000523207	2.193941940 Hartree
401	C44 Ryd(3d)	0.000445940	2.306466764 Hartree
402	C44 Ryd(3d)	0.000749571	2.119631091 Hartree
403	C44 Ryd(3d)	0.000635369	2.180808989 Hartree
404	C44 Ryd(3d)	0.000442633	1.990909462 Hartree
405	C45 Cor(1S)	1.999089733	-10.042033273 Hartree
406	C45 Val(2S)	0.960817466	-0.165287342 Hartree
407	C45 Ryd(3S)	0.000600149	1.250556255 Hartree
408	C45 Ryd(4S)	0.000034521	3.979220161 Hartree
409	C45 Val(2p)	1.067819582	-0.065499457 Hartree
410	C45 Ryd(3p)	0.002993458	0.775820924 Hartree
411	C45 Val(2p)	1.158661638	-0.050827931 Hartree
412	C45 Ryd(3p)	0.004895318	1.014308376 Hartree
413	C45 Val(2p)	1.033309219	-0.064185100 Hartree
414	C45 Ryd(3p)	0.002459400	0.667853356 Hartree
415	C45 Ryd(3d)	0.000714751	2.140903730 Hartree
416	C45 Ryd(3d)	0.000411416	2.344249982 Hartree
417	C45 Ryd(3d)	0.000472687	2.168775945 Hartree
418	C45 Ryd(3d)	0.000574480	2.139769578 Hartree
419	C45 Ryd(3d)	0.000608337	2.031251925 Hartree
420	C46 Cor(1S)	1.999011928	-10.037005229 Hartree
421	C46 Val(2S)	0.948168006	-0.153210726 Hartree
422	C46 Ryd(3S)	0.000917219	1.147328805 Hartree
423	C46 Ryd(4S)	0.000048446	4.132524393 Hartree
424	C46 Val(2p)	1.102807456	-0.065861427 Hartree
425	C46 Ryd(3p)	0.004105773	0.958316756 Hartree
426	C46 Val(2p)	1.055230133	-0.037138402 Hartree
427	C46 Ryd(3p)	0.004005504	0.769321898 Hartree
428	C46 Val(2p)	1.077025691	-0.073521990 Hartree
429	C46 Ryd(3p)	0.003855624	0.874601588 Hartree
430	C46 Ryd(3d)	0.000590580	2.264052694 Hartree
431	C46 Ryd(3d)	0.000712891	2.189690463 Hartree
432	C46 Ryd(3d)	0.000510623	2.252432799 Hartree
433	C46 Ryd(3d)	0.000584376	2.244716156 Hartree
434	C46 Ryd(3d)	0.000405121	1.988064980 Hartree
435	H47 Val(1S)	0.754545445	0.117807152 Hartree
436	H47 Ryd(2S)	0.001601328	0.768352258 Hartree
437	H48 Val(1S)	0.761257777	0.097191175 Hartree
438	H48 Ryd(2S)	0.000862806	0.566264319 Hartree
439	H49 Val(1S)	0.762291497	0.095458804 Hartree
440	H49 Ryd(2S)	0.000846689	0.564765042 Hartree
441	H50 Val(1S)	0.760740941	0.096670145 Hartree
442	H50 Ryd(2S)	0.000861765	0.565708198 Hartree
443	H51 Val(1S)	0.754484187	0.105223631 Hartree
444	H51 Ryd(2S)	0.001314344	0.695985042 Hartree

Natural Hybrid Orbitals

Display Range		- / 444
Orbital	Description	Occupancy	Energy	Actions
1	BD(1)P1(C2) 1s(30.67%)p2.23(68.36%)d0.03(0.97%)	0.826805287	-0.128611424 Hartree
2	BD(1)C2(P1) 2s(21.30%)p3.69(78.63%)d0.00(0.06%)	1.239286575	-0.223874530 Hartree
3	BD(1)P1(C19) 1s(12.20%)p7.05(86.05%)d0.14(1.75%)	0.735235723	-0.011503556 Hartree
4	BD(1)C19(P1) 19s(30.02%)p2.33(69.95%)d0.00(0.03%)	1.366720811	-0.231077574 Hartree
5	BD(1)P1(C30) 1s(27.65%)p2.58(71.45%)d0.03(0.91%)	0.796818897	-0.099108372 Hartree
6	BD(1)C30(P1) 30s(29.40%)p2.40(70.55%)d0.00(0.05%)	1.266866109	-0.258557520 Hartree
7	BD(1)P1(C41) 1s(29.11%)p2.40(69.86%)d0.04(1.02%)	0.789258947	-0.094651944 Hartree
8	BD(1)C41(P1) 41s(29.20%)p2.42(70.74%)d0.00(0.05%)	1.278533917	-0.258056105 Hartree
9	BD(1)C2(C3) 2s(28.71%)p2.48(71.24%)d0.00(0.05%)	1.013833705	-0.104964026 Hartree
10	BD(1)C3(C2) 3s(27.70%)p2.61(72.24%)d0.00(0.06%)	0.994480146	-0.102091706 Hartree
11	BD(1)C2(H17) 2s(25.79%)p2.88(74.16%)d0.00(0.05%)	1.255947224	-0.147964604 Hartree
12	BD(1)H17(C2) 17s(100.00%)	0.738746509	0.098093723 Hartree
13	BD(1)C2(H18) 2s(24.09%)p3.15(75.85%)d0.00(0.06%)	1.253363542	-0.146641215 Hartree
14	BD(1)H18(C2) 18s(100.00%)	0.734462588	0.091919154 Hartree
15	BD(1)C3(C4) 3s(26.64%)p2.75(73.32%)d0.00(0.05%)	1.014720528	-0.096905252 Hartree
16	BD(1)C4(C3) 4s(26.47%)p2.78(73.48%)d0.00(0.04%)	1.003856865	-0.081770873 Hartree
17	BD(1)C3(C7) 3s(26.84%)p2.72(73.11%)d0.00(0.05%)	1.015322642	-0.097265852 Hartree
18	BD(1)C7(C3) 7s(26.55%)p2.76(73.40%)d0.00(0.04%)	0.999988649	-0.081009393 Hartree
19	BD(1)C3(O16) 3s(18.84%)p4.30(80.92%)d0.01(0.24%)	0.692997809	-0.040955806 Hartree
20	BD(1)O16(C3) 16s(25.71%)p2.89(74.20%)d0.00(0.09%)	1.331584995	-0.366278949 Hartree
21	BD(1)C4(C5) 4s(26.06%)p2.84(73.90%)d0.00(0.04%)	1.005907523	-0.084661439 Hartree
22	BD(1)C5(C4) 5s(26.16%)p2.82(73.80%)d0.00(0.04%)	0.990858837	-0.077455157 Hartree
23	BD(1)C4(H14) 4s(24.56%)p3.07(75.38%)d0.00(0.06%)	1.236931837	-0.110512446 Hartree
24	BD(1)H14(C4) 14s(100.00%)	0.756973932	0.114632966 Hartree
25	BD(1)C4(H15) 4s(22.82%)p3.38(77.11%)d0.00(0.07%)	1.221129346	-0.109428288 Hartree
26	BD(1)H15(C4) 15s(100.00%)	0.769482746	0.095088884 Hartree
27	BD(1)C5(C6) 5s(25.89%)p2.86(74.07%)d0.00(0.04%)	1.001061174	-0.082972457 Hartree
28	BD(1)C6(C5) 6s(25.76%)p2.88(74.20%)d0.00(0.04%)	0.999254940	-0.082389433 Hartree
29	BD(1)C5(H12) 5s(24.10%)p3.15(75.83%)d0.00(0.06%)	1.230702113	-0.106060128 Hartree
30	BD(1)H12(C5) 12s(100.00%)	0.765714956	0.109810473 Hartree
31	BD(1)C5(H13) 5s(23.79%)p3.20(76.15%)d0.00(0.06%)	1.233391763	-0.104284151 Hartree
32	BD(1)H13(C5) 13s(100.00%)	0.762771964	0.114574818 Hartree
33	BD(1)C6(C7) 6s(26.13%)p2.82(73.82%)d0.00(0.04%)	0.988184979	-0.075821319 Hartree
34	BD(1)C7(C6) 7s(26.15%)p2.82(73.81%)d0.00(0.04%)	1.007835720	-0.085115599 Hartree
35	BD(1)C6(H10) 6s(24.34%)p3.11(75.59%)d0.00(0.06%)	1.230646797	-0.106154652 Hartree
36	BD(1)H10(C6) 10s(100.00%)	0.765822687	0.110687224 Hartree
37	BD(1)C6(H11) 6s(23.69%)p3.22(76.24%)d0.00(0.07%)	1.237550039	-0.103719587 Hartree
38	BD(1)H11(C6) 11s(100.00%)	0.758059679	0.119364224 Hartree
39	BD(1)C7(H8) 7s(22.81%)p3.38(77.12%)d0.00(0.07%)	1.221695409	-0.110841234 Hartree
40	BD(1)H8(C7) 8s(100.00%)	0.769323002	0.094315292 Hartree
41	BD(1)C7(H9) 7s(24.39%)p3.10(75.54%)d0.00(0.06%)	1.229416761	-0.110240377 Hartree
42	BD(1)H9(C7) 9s(100.00%)	0.764618631	0.110293182 Hartree
43	BD(1)C19(C20) 19s(35.53%)p1.81(64.43%)d0.00(0.04%)	1.005726793	-0.050282392 Hartree
44	BD(1)C20(C19) 20s(35.35%)p1.83(64.62%)d0.00(0.04%)	0.991835782	-0.040636119 Hartree
45	BD(2)C19(C20) 19s(0.09%)p99.99(99.86%)d0.47(0.04%)	1.003707639	-0.096257899 Hartree
46	BD(2)C20(C19) 20s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.990871961	-0.092005104 Hartree
47	BD(1)C19(C24) 19s(34.25%)p1.92(65.71%)d0.00(0.05%)	1.000461434	-0.052443749 Hartree
48	BD(1)C24(C19) 24s(35.44%)p1.82(64.52%)d0.00(0.04%)	0.995375109	-0.049403118 Hartree
49	BD(1)C20(C21) 20s(35.22%)p1.84(64.74%)d0.00(0.04%)	1.002090373	-0.044251207 Hartree
50	BD(1)C21(C20) 21s(35.28%)p1.83(64.68%)d0.00(0.04%)	0.994915836	-0.038528444 Hartree
51	BD(1)C20(H29) 20s(29.41%)p2.40(70.54%)d0.00(0.05%)	1.240057929	-0.122601196 Hartree
52	BD(1)H29(C20) 29s(100.00%)	0.757531406	0.114002591 Hartree
53	BD(1)C21(C22) 21s(35.26%)p1.83(64.70%)d0.00(0.04%)	0.997591508	-0.042889818 Hartree
54	BD(1)C22(C21) 22s(35.26%)p1.83(64.70%)d0.00(0.04%)	0.999395746	-0.042494274 Hartree
55	BD(2)C21(C22) 21s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.997959284	-0.094107452 Hartree
56	BD(2)C22(C21) 22s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.999585462	-0.095579925 Hartree
57	BD(1)C21(H28) 21s(29.42%)p2.40(70.53%)d0.00(0.05%)	1.230618100	-0.127979109 Hartree
58	BD(1)H28(C21) 28s(100.00%)	0.764756787	0.100490775 Hartree
59	BD(1)C22(C23) 22s(35.02%)p1.85(64.94%)d0.00(0.04%)	0.997163783	-0.043617924 Hartree
60	BD(1)C23(C22) 23s(35.09%)p1.85(64.87%)d0.00(0.04%)	0.999506115	-0.046100854 Hartree
61	BD(1)C22(H27) 22s(29.67%)p2.37(70.27%)d0.00(0.05%)	1.230790304	-0.130244169 Hartree
62	BD(1)H27(C22) 27s(100.00%)	0.764840703	0.099255507 Hartree
63	BD(1)C23(C24) 23s(35.43%)p1.82(64.53%)d0.00(0.04%)	0.993385807	-0.038591740 Hartree
64	BD(1)C24(C23) 24s(35.70%)p1.80(64.26%)d0.00(0.04%)	1.004093759	-0.047661679 Hartree
65	BD(2)C23(C24) 23s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.999715491	-0.095362110 Hartree
66	BD(2)C24(C23) 24s(0.01%)p1.00(99.96%)d0.00(0.04%)	1.005284219	-0.098458066 Hartree
67	BD(1)C23(H26) 23s(29.45%)p2.39(70.50%)d0.00(0.05%)	1.230995588	-0.130341514 Hartree
68	BD(1)H26(C23) 26s(100.00%)	0.764470311	0.098526688 Hartree
69	BD(1)C24(H25) 24s(28.81%)p2.47(71.13%)d0.00(0.06%)	1.231435780	-0.128955090 Hartree
70	BD(1)H25(C24) 25s(100.00%)	0.765642438	0.100070102 Hartree
71	BD(1)C30(C31) 30s(35.28%)p1.83(64.69%)d0.00(0.04%)	1.015399427	-0.070774608 Hartree
72	BD(1)C31(C30) 31s(34.71%)p1.88(65.25%)d0.00(0.04%)	0.983969384	-0.050876171 Hartree
73	BD(1)C30(C35) 30s(35.15%)p1.84(64.81%)d0.00(0.04%)	1.021950746	-0.070156641 Hartree
74	BD(1)C35(C30) 35s(34.10%)p1.93(65.86%)d0.00(0.04%)	0.976032482	-0.041376469 Hartree
75	BD(2)C30(C35) 30s(0.00%)p1.00(99.98%)d0.00(0.02%)	1.074803331	-0.114820817 Hartree
76	BD(2)C35(C30) 35s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.942531676	-0.093022533 Hartree
77	BD(1)C31(C32) 31s(35.33%)p1.83(64.64%)d0.00(0.04%)	1.004264591	-0.053461012 Hartree
78	BD(1)C32(C31) 32s(35.24%)p1.84(64.72%)d0.00(0.04%)	0.990283745	-0.045638639 Hartree
79	BD(2)C31(C32) 31s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.971733879	-0.102948222 Hartree
80	BD(2)C32(C31) 32s(0.00%)p1.00(99.96%)d0.00(0.04%)	1.003205947	-0.102453167 Hartree
81	BD(1)C31(H40) 31s(29.94%)p2.34(70.01%)d0.00(0.05%)	1.248174156	-0.136079496 Hartree
82	BD(1)H40(C31) 40s(100.00%)	0.747516807	0.111004082 Hartree
83	BD(1)C32(C33) 32s(35.14%)p1.84(64.82%)d0.00(0.04%)	0.998871863	-0.052881803 Hartree
84	BD(1)C33(C32) 33s(35.12%)p1.85(64.84%)d0.00(0.04%)	0.998415162	-0.051317230 Hartree
85	BD(1)C32(H39) 32s(29.59%)p2.38(70.35%)d0.00(0.05%)	1.233983483	-0.136696477 Hartree
86	BD(1)H39(C32) 39s(100.00%)	0.760812925	0.095795797 Hartree
87	BD(1)C33(C34) 33s(35.21%)p1.84(64.75%)d0.00(0.04%)	1.000873754	-0.051486499 Hartree
88	BD(1)C34(C33) 34s(35.07%)p1.85(64.89%)d0.00(0.04%)	0.996900603	-0.050508756 Hartree
89	BD(2)C33(C34) 33s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.974436524	-0.102553596 Hartree
90	BD(2)C34(C33) 34s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.999330561	-0.100348111 Hartree
91	BD(1)C33(H38) 33s(29.64%)p2.37(70.31%)d0.00(0.05%)	1.233582959	-0.138564639 Hartree
92	BD(1)H38(C33) 38s(100.00%)	0.762150592	0.094199236 Hartree
93	BD(1)C34(C35) 34s(35.31%)p1.83(64.65%)d0.00(0.04%)	0.994964300	-0.043788385 Hartree
94	BD(1)C35(C34) 35s(35.13%)p1.85(64.83%)d0.00(0.04%)	1.000103398	-0.046426456 Hartree
95	BD(1)C34(H37) 34s(29.59%)p2.38(70.36%)d0.00(0.05%)	1.234422988	-0.134305849 Hartree
96	BD(1)H37(C34) 37s(100.00%)	0.760542339	0.098759736 Hartree
97	BD(1)C35(H36) 35s(30.76%)p2.25(69.19%)d0.00(0.05%)	1.270907734	-0.129040806 Hartree
98	BD(1)H36(C35) 36s(100.00%)	0.729405105	0.139503849 Hartree
99	BD(1)C41(C42) 41s(35.16%)p1.84(64.80%)d0.00(0.04%)	1.017070544	-0.070753516 Hartree
100	BD(1)C42(C41) 42s(34.83%)p1.87(65.13%)d0.00(0.04%)	0.980314899	-0.047482003 Hartree
101	BD(1)C41(C46) 41s(35.44%)p1.82(64.52%)d0.00(0.04%)	1.020772357	-0.069511347 Hartree
102	BD(1)C46(C41) 46s(34.78%)p1.87(65.18%)d0.00(0.04%)	0.977025101	-0.040692288 Hartree
103	BD(2)C41(C46) 41s(0.02%)p99.99(99.96%)d1.40(0.02%)	1.049657628	-0.109717304 Hartree
104	BD(2)C46(C41) 46s(0.00%)p1.00(99.95%)d0.00(0.04%)	0.964475496	-0.095186183 Hartree
105	BD(1)C42(C43) 42s(35.51%)p1.82(64.46%)d0.00(0.04%)	1.004712000	-0.053014108 Hartree
106	BD(1)C43(C42) 43s(35.20%)p1.84(64.76%)d0.00(0.04%)	0.989780682	-0.044162789 Hartree
107	BD(2)C42(C43) 42s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.979749505	-0.101069864 Hartree
108	BD(2)C43(C42) 43s(0.00%)p1.00(99.96%)d0.00(0.04%)	1.001498086	-0.100508520 Hartree
109	BD(1)C42(H51) 42s(29.62%)p2.37(70.33%)d0.00(0.05%)	1.240945705	-0.134249441 Hartree
110	BD(1)H51(C42) 51s(100.00%)	0.754479507	0.106607523 Hartree
111	BD(1)C43(C44) 43s(35.15%)p1.84(64.81%)d0.00(0.04%)	0.998977315	-0.051126305 Hartree
112	BD(1)C44(C43) 44s(35.12%)p1.85(64.84%)d0.00(0.04%)	0.997864572	-0.049725813 Hartree
113	BD(1)C43(H50) 43s(29.61%)p2.38(70.34%)d0.00(0.05%)	1.233981710	-0.135124075 Hartree
114	BD(1)H50(C43) 50s(100.00%)	0.760739410	0.097430484 Hartree
115	BD(1)C44(C45) 44s(35.20%)p1.84(64.76%)d0.00(0.04%)	0.998946189	-0.049584763 Hartree
116	BD(1)C45(C44) 45s(35.17%)p1.84(64.79%)d0.00(0.04%)	0.998058581	-0.049846412 Hartree
117	BD(2)C44(C45) 44s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.986449862	-0.100755544 Hartree
118	BD(2)C45(C44) 45s(0.00%)p1.00(99.96%)d0.00(0.04%)	1.001320773	-0.099723786 Hartree
119	BD(1)C44(H49) 44s(29.64%)p2.37(70.31%)d0.00(0.05%)	1.233030408	-0.135768302 Hartree
120	BD(1)H49(C44) 49s(100.00%)	0.762289935	0.096227012 Hartree
121	BD(1)C45(C46) 45s(35.20%)p1.84(64.76%)d0.00(0.04%)	0.992287504	-0.044214281 Hartree
122	BD(1)C46(C45) 46s(35.25%)p1.84(64.71%)d0.00(0.04%)	1.002799158	-0.050056234 Hartree
123	BD(1)C45(H48) 45s(29.59%)p2.38(70.36%)d0.00(0.05%)	1.233468008	-0.133965979 Hartree
124	BD(1)H48(C45) 48s(100.00%)	0.761256207	0.097960201 Hartree
125	BD(1)C46(H47) 46s(29.94%)p2.34(70.01%)d0.00(0.05%)	1.242709630	-0.126043933 Hartree
126	BD(1)H47(C46) 47s(100.00%)	0.754538639	0.119510617 Hartree
127	CR(1)P1 s(100.00%)	1.999999029	-76.162038411 Hartree
128	CR(2)P1 s(100.00%)p0.00(0.00%)	1.998447976	-7.436933898 Hartree
129	CR(3)P1 s(0.00%)p1.00(100.00%)	1.999769929	-4.768256698 Hartree
130	CR(4)P1 s(0.00%)p1.00(100.00%)	1.999814490	-4.768802626 Hartree
131	CR(5)P1 s(0.00%)p1.00(100.00%)	1.999784530	-4.767164179 Hartree
132	CR(1)C2 s(100.00%)p0.00(0.00%)	1.999144975	-10.042439785 Hartree
133	CR(1)C3 s(100.00%)	1.999015559	-10.085973340 Hartree
134	CR(1)C4 s(100.00%)p0.00(0.00%)	1.999222485	-10.025240131 Hartree
135	CR(1)C5 s(100.00%)p0.00(0.00%)	1.999374663	-10.035841544 Hartree
136	CR(1)C6 s(100.00%)p0.00(0.00%)	1.999367586	-10.034276621 Hartree
137	CR(1)C7 s(100.00%)p0.00(0.00%)	1.999211176	-10.026046633 Hartree
138	CR(1)O16 s(100.00%)p0.00(0.00%)	1.999840333	-18.866250754 Hartree
139	CR(1)C19 s(100.00%)p0.00(0.00%)	1.998931671	-10.029246906 Hartree
140	CR(1)C20 s(100.00%)p0.00(0.00%)	1.999010750	-10.028427269 Hartree
141	CR(1)C21 s(100.00%)p0.00(0.00%)	1.999092976	-10.036258265 Hartree
142	CR(1)C22 s(100.00%)p0.00(0.00%)	1.999087888	-10.037506006 Hartree
143	CR(1)C23 s(100.00%)p0.00(0.00%)	1.999079685	-10.037086446 Hartree
144	CR(1)C24 s(100.00%)p0.00(0.00%)	1.999026803	-10.031998612 Hartree
145	CR(1)C30 s(100.00%)p0.00(0.00%)	1.998844465	-10.052131486 Hartree
146	CR(1)C31 s(100.00%)p0.00(0.00%)	1.999023839	-10.040113033 Hartree
147	CR(1)C32 s(100.00%)p0.00(0.00%)	1.999087382	-10.044201487 Hartree
148	CR(1)C33 s(100.00%)p0.00(0.00%)	1.999090952	-10.047326990 Hartree
149	CR(1)C34 s(100.00%)p0.00(0.00%)	1.999087603	-10.042486285 Hartree
150	CR(1)C35 s(100.00%)p0.00(0.00%)	1.999023864	-10.033178630 Hartree
151	CR(1)C41 s(100.00%)p0.00(0.00%)	1.998855109	-10.047066034 Hartree
152	CR(1)C42 s(100.00%)p0.00(0.00%)	1.999020500	-10.039673850 Hartree
153	CR(1)C43 s(100.00%)p0.00(0.00%)	1.999089595	-10.043022131 Hartree
154	CR(1)C44 s(100.00%)p0.00(0.00%)	1.999094997	-10.044893086 Hartree
155	CR(1)C45 s(100.00%)p0.00(0.00%)	1.999093063	-10.042398192 Hartree
156	CR(1)C46 s(100.00%)p0.00(0.00%)	1.999015494	-10.037481444 Hartree
157	LP(1)O16 s(45.31%)p1.21(54.64%)d0.00(0.04%)	1.972309846	-0.550132034 Hartree
158	LP(2)O16 s(0.00%)p1.00(99.92%)d0.00(0.08%)	1.889916010	-0.242149488 Hartree
159	LP(3)O16 s(28.99%)p2.45(70.89%)d0.00(0.12%)	1.664561772	-0.457229225 Hartree
160	RY*(1)P1 s(0.42%)p8.00(3.35%)d99.99(96.23%)	0.036214614	1.296238433 Hartree
161	RY*(2)P1 s(2.61%)p26.36(68.77%)d10.97(28.62%)	0.009641591	0.836299973 Hartree
162	RY*(3)P1 s(4.82%)p12.35(59.55%)d7.39(35.63%)	0.008434380	0.854156491 Hartree
163	RY*(4)P1 s(0.19%)p46.86(8.89%)d99.99(90.92%)	0.005544945	0.926042744 Hartree
164	RY*(5)P1 s(16.35%)p0.94(15.35%)d4.18(68.29%)	0.004648645	1.160739569 Hartree
165	RY*(6)P1 s(3.92%)p11.33(44.44%)d13.16(51.63%)	0.004332214	0.873997198 Hartree
166	RY*(7)P1 s(1.40%)p14.94(20.86%)d55.68(77.75%)	0.003414796	1.032065806 Hartree
167	RY*(8)P1 s(30.66%)p1.22(37.53%)d1.04(31.80%)	0.003007464	0.871023989 Hartree
168	RY*(9)P1 s(40.07%)p1.14(45.52%)d0.36(14.41%)	0.001632315	0.796887008 Hartree
169	RY*(10)P1 s(99.92%)p0.00(0.02%)d0.00(0.06%)	0.000008983	3.404181785 Hartree
170	RY*(1)C2 s(1.72%)p54.15(93.20%)d2.95(5.08%)	0.003055167	1.115004337 Hartree
171	RY*(2)C2 s(51.42%)p0.90(46.46%)d0.04(2.11%)	0.002230551	1.273245115 Hartree
172	RY*(3)C2 s(21.33%)p3.06(65.19%)d0.63(13.48%)	0.001148440	0.977730267 Hartree
173	RY*(4)C2 s(19.44%)p3.85(74.83%)d0.29(5.73%)	0.000899161	0.941695313 Hartree
174	RY*(5)C2 s(6.00%)p1.88(11.29%)d13.78(82.71%)	0.000466914	1.824005822 Hartree
175	RY*(6)C2 s(0.22%)p15.66(3.45%)d99.99(96.33%)	0.000160585	2.169621441 Hartree
176	RY*(7)C2 s(0.02%)p99.99(3.70%)d99.99(96.28%)	0.000124824	1.846991168 Hartree
177	RY*(8)C2 s(8.21%)p0.08(0.63%)d11.11(91.16%)	0.000066039	2.289009536 Hartree
178	RY*(9)C2 s(4.77%)p0.14(0.68%)d19.84(94.55%)	0.000038877	2.252560426 Hartree
179	RY*(10)C2 s(86.99%)p0.01(0.67%)d0.14(12.34%)	0.000006266	3.981918935 Hartree
180	RY*(1)C3 s(16.58%)p4.90(81.22%)d0.13(2.20%)	0.008594623	0.991016990 Hartree
181	RY*(2)C3 s(0.39%)p99.99(87.54%)d30.78(12.06%)	0.004914527	1.034934424 Hartree
182	RY*(3)C3 s(0.75%)p99.99(92.22%)d9.37(7.03%)	0.003314983	1.144727593 Hartree
183	RY*(4)C3 s(17.74%)p0.62(11.01%)d4.02(71.24%)	0.001450733	1.776207682 Hartree
184	RY*(5)C3 s(0.36%)p28.00(10.13%)d99.99(89.50%)	0.001273773	2.143922617 Hartree
185	RY*(6)C3 s(1.03%)p2.56(2.64%)d93.36(96.33%)	0.000745968	2.374171272 Hartree
186	RY*(7)C3 s(18.42%)p0.31(5.70%)d4.12(75.89%)	0.000405855	2.050750861 Hartree
187	RY*(8)C3 s(0.81%)p3.76(3.04%)d99.99(96.15%)	0.000338845	2.111414947 Hartree
188	RY*(9)C3 s(45.48%)p0.15(6.66%)d1.05(47.87%)	0.000244651	2.031826085 Hartree
189	RY*(10)C3 s(98.43%)p0.00(0.24%)d0.01(1.32%)	0.000027068	4.355636629 Hartree
190	RY*(1)C4 s(2.11%)p43.58(92.05%)d2.77(5.84%)	0.003681368	1.119974899 Hartree
191	RY*(2)C4 s(7.42%)p11.54(85.69%)d0.93(6.89%)	0.002048884	0.843715068 Hartree
192	RY*(3)C4 s(9.23%)p7.74(71.52%)d2.08(19.24%)	0.001250269	0.990006586 Hartree
193	RY*(4)C4 s(76.94%)p0.19(14.83%)d0.11(8.23%)	0.000458940	1.538925990 Hartree
194	RY*(5)C4 s(1.61%)p0.24(0.39%)d60.81(98.00%)	0.000240894	1.981266259 Hartree
195	RY*(6)C4 s(0.84%)p6.46(5.44%)d99.99(93.72%)	0.000166629	2.114086681 Hartree
196	RY*(7)C4 s(3.82%)p4.61(17.61%)d20.55(78.56%)	0.000098526	1.935319826 Hartree
197	RY*(8)C4 s(3.70%)p2.67(9.88%)d23.34(86.42%)	0.000061261	2.104611101 Hartree
198	RY*(9)C4 s(94.34%)p0.02(1.61%)d0.04(4.04%)	0.000006598	4.111912443 Hartree
199	RY*(10)C4 s(0.05%)p21.50(1.10%)d99.99(98.84%)	0.000016546	2.120431392 Hartree
200	RY*(1)C5 s(0.65%)p99.99(92.88%)d9.88(6.47%)	0.003613262	1.072135908 Hartree
201	RY*(2)C5 s(1.22%)p63.41(77.44%)d17.47(21.33%)	0.001742057	0.916160890 Hartree
202	RY*(3)C5 s(0.02%)p99.99(95.99%)d99.99(3.99%)	0.000705783	0.703205726 Hartree
203	RY*(4)C5 s(81.61%)p0.01(0.56%)d0.22(17.84%)	0.000411866	1.645853466 Hartree
204	RY*(5)C5 s(14.21%)p0.03(0.46%)d6.00(85.32%)	0.000284147	1.849799040 Hartree
205	RY*(6)C5 s(2.12%)p6.75(14.35%)d39.32(83.53%)	0.000090347	1.957421486 Hartree
206	RY*(7)C5 s(2.13%)p3.66(7.79%)d42.32(90.08%)	0.000066439	2.132057293 Hartree
207	RY*(8)C5 s(97.22%)p0.01(1.10%)d0.02(1.68%)	0.000003819	4.106264781 Hartree
208	RY*(9)C5 s(0.75%)p5.51(4.13%)d99.99(95.12%)	0.000011074	2.077683238 Hartree
209	RY*(10)C5 s(0.12%)p45.87(5.45%)d99.99(94.43%)	0.000009027	2.108528914 Hartree
210	RY*(1)C6 s(1.28%)p71.67(91.69%)d5.49(7.03%)	0.003593854	1.112784734 Hartree
211	RY*(2)C6 s(0.62%)p99.99(77.43%)d35.58(21.96%)	0.001657605	0.924453676 Hartree
212	RY*(3)C6 s(0.23%)p99.99(94.56%)d22.20(5.21%)	0.000714888	0.718745199 Hartree
213	RY*(4)C6 s(78.91%)p0.01(0.73%)d0.26(20.36%)	0.000378379	1.658401005 Hartree
214	RY*(5)C6 s(16.73%)p0.11(1.80%)d4.87(81.47%)	0.000269705	1.834882398 Hartree
215	RY*(6)C6 s(2.28%)p6.19(14.13%)d36.59(83.58%)	0.000090054	1.972294700 Hartree
216	RY*(7)C6 s(2.47%)p3.40(8.38%)d36.17(89.16%)	0.000070338	2.136881434 Hartree
217	RY*(8)C6 s(4.79%)p1.81(8.67%)d18.06(86.54%)	0.000015030	2.127422897 Hartree
218	RY*(9)C6 s(92.36%)p0.02(2.07%)d0.06(5.57%)	0.000003459	3.989671885 Hartree
219	RY*(10)C6 s(0.40%)p1.69(0.68%)d99.99(98.92%)	0.000008967	2.143411519 Hartree
220	RY*(1)C7 s(2.68%)p33.78(90.43%)d2.57(6.89%)	0.003752536	1.126737717 Hartree
221	RY*(2)C7 s(2.64%)p31.96(84.32%)d4.94(13.04%)	0.001772088	0.877918608 Hartree
222	RY*(3)C7 s(6.48%)p12.09(78.29%)d2.35(15.24%)	0.000949637	0.921066054 Hartree
223	RY*(4)C7 s(83.04%)p0.11(8.75%)d0.10(8.21%)	0.000420220	1.557295208 Hartree
224	RY*(5)C7 s(0.40%)p0.60(0.24%)d99.99(99.37%)	0.000247752	1.983464643 Hartree
225	RY*(6)C7 s(2.41%)p3.11(7.49%)d37.43(90.11%)	0.000155818	2.098773306 Hartree
226	RY*(7)C7 s(5.42%)p3.83(20.77%)d13.61(73.81%)	0.000107527	1.886241843 Hartree
227	RY*(8)C7 s(4.14%)p1.54(6.39%)d21.63(89.48%)	0.000074333	2.198893114 Hartree
228	RY*(9)C7 s(92.63%)p0.02(1.99%)d0.06(5.38%)	0.000006254	4.061073001 Hartree
229	RY*(10)C7 s(0.27%)p5.55(1.47%)d99.99(98.26%)	0.000013493	2.109692105 Hartree
230	RY*(1)H8 s(100.00%)	0.001391053	0.674122647 Hartree
231	RY*(1)H9 s(100.00%)	0.001216716	0.756329530 Hartree
232	RY*(1)H10 s(100.00%)	0.000959062	0.644149481 Hartree
233	RY*(1)H11 s(100.00%)	0.001585459	0.663800140 Hartree
234	RY*(1)H12 s(100.00%)	0.001007274	0.645706868 Hartree
235	RY*(1)H13 s(100.00%)	0.001331627	0.677645611 Hartree
236	RY*(1)H14 s(100.00%)	0.001151354	0.737332984 Hartree
237	RY*(1)H15 s(100.00%)	0.001377310	0.677227841 Hartree
238	RY*(1)O16 s(42.85%)p1.20(51.51%)d0.13(5.64%)	0.003490354	1.790798410 Hartree
239	RY*(2)O16 s(27.42%)p2.20(60.42%)d0.44(12.17%)	0.001644808	1.409138162 Hartree
240	RY*(3)O16 s(9.25%)p9.10(84.16%)d0.71(6.59%)	0.001514355	1.373002439 Hartree
241	RY*(4)O16 s(24.09%)p2.43(58.56%)d0.72(17.35%)	0.000330858	1.637642337 Hartree
242	RY*(5)O16 s(2.30%)p11.10(25.55%)d31.34(72.15%)	0.000152331	2.007783742 Hartree
243	RY*(6)O16 s(6.45%)p1.38(8.92%)d13.13(84.63%)	0.000112571	2.101698937 Hartree
244	RY*(7)O16 s(45.89%)p0.04(1.95%)d1.14(52.16%)	0.000054674	2.881447554 Hartree
245	RY*(8)O16 s(8.24%)p0.28(2.35%)d10.85(89.41%)	0.000031886	2.190665289 Hartree
246	RY*(9)O16 s(3.83%)p0.86(3.30%)d24.25(92.87%)	0.000037354	2.035595073 Hartree
247	RY*(10)O16 s(29.67%)p0.12(3.63%)d2.25(66.71%)	0.000029622	3.122648234 Hartree
248	RY*(1)H17 s(100.00%)	0.001137711	0.700230263 Hartree
249	RY*(1)H18 s(100.00%)	0.001157266	0.696210922 Hartree
250	RY*(1)C19 s(9.73%)p8.86(86.14%)d0.43(4.13%)	0.006937738	1.260836516 Hartree
251	RY*(2)C19 s(0.71%)p99.99(98.48%)d1.12(0.80%)	0.004661131	0.951182360 Hartree
252	RY*(3)C19 s(88.71%)p0.10(8.99%)d0.03(2.30%)	0.002551157	1.299955935 Hartree
253	RY*(4)C19 s(0.02%)p99.99(95.75%)d99.99(4.23%)	0.001411654	0.860490470 Hartree
254	RY*(5)C19 s(0.05%)p11.98(0.58%)d99.99(99.37%)	0.000595050	1.948844681 Hartree
255	RY*(6)C19 s(0.09%)p15.23(1.37%)d99.99(98.54%)	0.000215359	2.432391192 Hartree
256	RY*(7)C19 s(0.50%)p4.98(2.48%)d99.99(97.02%)	0.000194073	1.954923685 Hartree
257	RY*(8)C19 s(10.05%)p0.52(5.21%)d8.43(84.74%)	0.000107364	2.248554595 Hartree
258	RY*(9)C19 s(14.68%)p0.06(0.88%)d5.75(84.43%)	0.000044228	2.668886750 Hartree
259	RY*(10)C19 s(75.57%)p0.00(0.16%)d0.32(24.27%)	0.000026367	3.874519929 Hartree
260	RY*(1)C20 s(1.44%)p64.40(92.50%)d4.22(6.06%)	0.006538816	1.276124091 Hartree
261	RY*(2)C20 s(0.56%)p99.99(97.46%)d3.53(1.98%)	0.002905586	0.836835828 Hartree
262	RY*(3)C20 s(1.41%)p50.71(71.29%)d19.42(27.31%)	0.000830344	1.012580235 Hartree
263	RY*(4)C20 s(46.98%)p0.40(18.99%)d0.72(34.03%)	0.000553297	1.313737763 Hartree
264	RY*(5)C20 s(48.63%)p0.17(8.47%)d0.88(42.89%)	0.000514510	1.430354498 Hartree
265	RY*(6)C20 s(1.33%)p1.64(2.19%)d72.29(96.48%)	0.000109258	2.406687462 Hartree
266	RY*(7)C20 s(52.38%)p0.04(2.31%)d0.87(45.31%)	0.000049344	3.170177035 Hartree
267	RY*(8)C20 s(4.27%)p0.42(1.81%)d21.98(93.92%)	0.000043539	2.069936515 Hartree
268	RY*(9)C20 s(19.53%)p0.24(4.59%)d3.88(75.88%)	0.000024761	2.662539343 Hartree
269	RY*(10)C20 s(23.50%)p0.02(0.52%)d3.23(75.98%)	0.000017793	2.668157648 Hartree
270	RY*(1)C21 s(0.48%)p99.99(92.33%)d14.82(7.18%)	0.005093518	1.278630635 Hartree
271	RY*(2)C21 s(0.19%)p99.99(98.46%)d7.18(1.36%)	0.002819919	0.720978698 Hartree
272	RY*(3)C21 s(0.05%)p15.63(0.72%)d99.99(99.24%)	0.000619366	1.949675792 Hartree
273	RY*(4)C21 s(0.08%)p99.99(88.97%)d99.99(10.94%)	0.000431440	0.735989157 Hartree
274	RY*(5)C21 s(97.23%)p0.00(0.35%)d0.02(2.42%)	0.000282306	1.145394051 Hartree
275	RY*(6)C21 s(0.28%)p5.15(1.45%)d99.99(98.26%)	0.000116177	2.373198619 Hartree
276	RY*(7)C21 s(51.01%)p0.01(0.26%)d0.96(48.73%)	0.000046274	3.366536580 Hartree
277	RY*(8)C21 s(1.42%)p4.75(6.74%)d64.74(91.84%)	0.000016171	2.126393753 Hartree
278	RY*(9)C21 s(27.42%)p0.17(4.79%)d2.47(67.80%)	0.000005855	2.502970361 Hartree
279	RY*(10)C21 s(21.88%)p0.28(6.06%)d3.29(72.06%)	0.000004834	2.342322958 Hartree
280	RY*(1)C22 s(0.58%)p99.99(91.77%)d13.30(7.66%)	0.004744265	1.280152091 Hartree
281	RY*(2)C22 s(0.01%)p99.99(98.43%)d99.99(1.56%)	0.002755444	0.713232419 Hartree
282	RY*(3)C22 s(0.00%)p1.00(0.65%)d99.99(99.34%)	0.000607224	1.945233384 Hartree
283	RY*(4)C22 s(0.33%)p99.99(90.05%)d29.41(9.62%)	0.000493542	0.719807159 Hartree
284	RY*(5)C22 s(96.53%)p0.00(0.40%)d0.03(3.07%)	0.000277866	1.080393541 Hartree
285	RY*(6)C22 s(0.04%)p40.09(1.60%)d99.99(98.36%)	0.000101747	2.373801128 Hartree
286	RY*(7)C22 s(58.03%)p0.00(0.15%)d0.72(41.82%)	0.000047377	3.504829971 Hartree
287	RY*(8)C22 s(21.84%)p0.24(5.17%)d3.34(72.99%)	0.000009090	2.464374652 Hartree
288	RY*(9)C22 s(8.48%)p0.66(5.56%)d10.13(85.95%)	0.000011331	2.233387505 Hartree
289	RY*(10)C22 s(14.20%)p0.45(6.35%)d5.60(79.45%)	0.000003378	2.160935769 Hartree
290	RY*(1)C23 s(0.33%)p99.99(92.51%)d22.00(7.16%)	0.005106999	1.271429021 Hartree
291	RY*(2)C23 s(0.57%)p99.99(98.03%)d2.46(1.40%)	0.002947869	0.715095158 Hartree
292	RY*(3)C23 s(0.06%)p99.99(6.94%)d99.99(93.00%)	0.000653561	1.864102095 Hartree
293	RY*(4)C23 s(0.39%)p99.99(82.79%)d43.28(16.82%)	0.000438563	0.816185750 Hartree
294	RY*(5)C23 s(97.00%)p0.01(0.80%)d0.02(2.20%)	0.000293966	1.135606976 Hartree
295	RY*(6)C23 s(0.51%)p3.03(1.53%)d99.99(97.96%)	0.000111799	2.370563168 Hartree
296	RY*(7)C23 s(52.05%)p0.00(0.16%)d0.92(47.79%)	0.000045777	3.362534015 Hartree
297	RY*(8)C23 s(34.48%)p0.03(1.11%)d1.87(64.41%)	0.000012817	2.843412205 Hartree
298	RY*(9)C23 s(1.35%)p6.79(9.18%)d66.13(89.47%)	0.000007058	1.882690519 Hartree
299	RY*(10)C23 s(13.30%)p0.53(7.08%)d5.99(79.62%)	0.000009973	2.247833688 Hartree
300	RY*(1)C24 s(1.61%)p57.36(92.29%)d3.79(6.10%)	0.006429696	1.262194660 Hartree
301	RY*(2)C24 s(0.45%)p99.99(97.69%)d4.17(1.86%)	0.002779260	0.828742630 Hartree
302	RY*(3)C24 s(18.45%)p4.11(75.75%)d0.31(5.80%)	0.000916765	0.822995945 Hartree
303	RY*(4)C24 s(33.28%)p0.66(21.93%)d1.35(44.80%)	0.000610651	1.415547478 Hartree
304	RY*(5)C24 s(45.03%)p0.06(2.72%)d1.16(52.25%)	0.000585364	1.548070150 Hartree
305	RY*(6)C24 s(2.01%)p0.98(1.96%)d47.85(96.03%)	0.000111760	2.424616684 Hartree
306	RY*(7)C24 s(52.46%)p0.02(1.25%)d0.88(46.29%)	0.000052886	3.221133441 Hartree
307	RY*(8)C24 s(0.06%)p16.39(0.98%)d99.99(98.96%)	0.000060124	1.822061241 Hartree
308	RY*(9)C24 s(0.91%)p4.19(3.81%)d99.99(95.28%)	0.000039003	2.394135689 Hartree
309	RY*(10)C24 s(45.78%)p0.04(1.75%)d1.15(52.47%)	0.000019999	3.117641029 Hartree
310	RY*(1)H25 s(100.00%)	0.001142648	0.658759082 Hartree
311	RY*(1)H26 s(100.00%)	0.000950017	0.568747393 Hartree
312	RY*(1)H27 s(100.00%)	0.000874006	0.567645523 Hartree
313	RY*(1)H28 s(100.00%)	0.000936105	0.570885362 Hartree
314	RY*(1)H29 s(100.00%)	0.001204770	0.689196582 Hartree
315	RY*(1)C30 s(0.68%)p99.99(94.02%)d7.81(5.31%)	0.005737748	1.193740957 Hartree
316	RY*(2)C30 s(5.55%)p16.67(92.48%)d0.35(1.97%)	0.005322682	1.036477630 Hartree
317	RY*(3)C30 s(5.45%)p17.11(93.23%)d0.24(1.32%)	0.001662753	0.813650102 Hartree
318	RY*(4)C30 s(87.43%)p0.14(11.94%)d0.01(0.63%)	0.001474135	1.230046216 Hartree
319	RY*(5)C30 s(0.01%)p1.00(0.23%)d99.99(99.76%)	0.000636915	1.931789079 Hartree
320	RY*(6)C30 s(0.04%)p6.57(0.26%)d99.99(99.70%)	0.000256452	2.485404685 Hartree
321	RY*(7)C30 s(5.74%)p1.11(6.34%)d15.32(87.92%)	0.000132908	2.192895942 Hartree
322	RY*(8)C30 s(0.39%)p2.79(1.10%)d99.99(98.51%)	0.000113083	1.929899905 Hartree
323	RY*(9)C30 s(36.60%)p0.01(0.19%)d1.73(63.21%)	0.000053730	3.079052177 Hartree
324	RY*(10)C30 s(58.28%)p0.00(0.19%)d0.71(41.53%)	0.000021154	3.551193591 Hartree
325	RY*(1)C31 s(0.06%)p99.99(94.36%)d91.07(5.58%)	0.005848130	1.258676673 Hartree
326	RY*(2)C31 s(1.10%)p87.79(96.64%)d2.05(2.26%)	0.002979303	0.863880574 Hartree
327	RY*(3)C31 s(0.36%)p99.99(54.94%)d99.99(44.70%)	0.000826315	1.243506857 Hartree
328	RY*(4)C31 s(41.73%)p0.53(21.99%)d0.87(36.29%)	0.000578287	1.303641979 Hartree
329	RY*(5)C31 s(55.73%)p0.37(20.71%)d0.42(23.55%)	0.000466891	1.204614800 Hartree
330	RY*(6)C31 s(0.57%)p3.86(2.20%)d99.99(97.23%)	0.000111827	2.390323539 Hartree
331	RY*(7)C31 s(39.09%)p0.07(2.81%)d1.49(58.09%)	0.000064979	2.921463867 Hartree
332	RY*(8)C31 s(0.30%)p1.99(0.60%)d99.99(99.10%)	0.000031337	2.355541130 Hartree
333	RY*(9)C31 s(1.91%)p2.05(3.91%)d49.41(94.18%)	0.000032243	1.902935244 Hartree
334	RY*(10)C31 s(59.17%)p0.03(1.98%)d0.66(38.85%)	0.000029622	3.411346933 Hartree
335	RY*(1)C32 s(0.44%)p99.99(92.56%)d15.82(7.00%)	0.005172860	1.268529004 Hartree
336	RY*(2)C32 s(0.23%)p99.99(98.41%)d6.00(1.36%)	0.002787281	0.713356521 Hartree
337	RY*(3)C32 s(0.06%)p99.99(6.61%)d99.99(93.33%)	0.000576012	1.863187704 Hartree
338	RY*(4)C32 s(0.50%)p99.99(82.95%)d33.10(16.55%)	0.000444413	0.808149184 Hartree
339	RY*(5)C32 s(96.35%)p0.01(0.60%)d0.03(3.05%)	0.000287120	1.156253711 Hartree
340	RY*(6)C32 s(0.51%)p2.90(1.48%)d99.99(98.01%)	0.000110339	2.358267511 Hartree
341	RY*(7)C32 s(54.33%)p0.01(0.29%)d0.84(45.38%)	0.000046009	3.414249347 Hartree
342	RY*(8)C32 s(43.94%)p0.01(0.45%)d1.27(55.61%)	0.000007620	3.027248317 Hartree
343	RY*(9)C32 s(1.21%)p6.39(7.70%)d75.59(91.10%)	0.000009746	1.997512613 Hartree
344	RY*(10)C32 s(2.47%)p3.68(9.10%)d35.80(88.43%)	0.000004597	1.867448656 Hartree
345	RY*(1)C33 s(0.56%)p99.99(91.72%)d13.71(7.72%)	0.004769098	1.275951914 Hartree
346	RY*(2)C33 s(0.00%)p1.00(98.50%)d0.02(1.49%)	0.002777571	0.706562289 Hartree
347	RY*(3)C33 s(0.04%)p18.06(0.81%)d99.99(99.15%)	0.000628392	1.934251957 Hartree
348	RY*(4)C33 s(0.06%)p99.99(90.03%)d99.99(9.91%)	0.000425693	0.714855253 Hartree
349	RY*(5)C33 s(96.81%)p0.00(0.17%)d0.03(3.02%)	0.000256004	1.090684954 Hartree
350	RY*(6)C33 s(0.09%)p17.89(1.53%)d99.99(98.38%)	0.000103599	2.365077871 Hartree
351	RY*(7)C33 s(56.18%)p0.00(0.19%)d0.78(43.62%)	0.000047511	3.462274261 Hartree
352	RY*(8)C33 s(23.16%)p0.10(2.34%)d3.22(74.49%)	0.000008882	2.587004570 Hartree
353	RY*(9)C33 s(15.91%)p0.44(7.03%)d4.84(77.06%)	0.000011996	2.327862882 Hartree
354	RY*(10)C33 s(7.23%)p1.08(7.80%)d11.76(84.97%)	0.000002289	1.940953420 Hartree
355	RY*(1)C34 s(0.49%)p99.99(92.27%)d14.86(7.24%)	0.005060457	1.274492125 Hartree
356	RY*(2)C34 s(0.10%)p99.99(98.64%)d13.28(1.26%)	0.002753536	0.717875749 Hartree
357	RY*(3)C34 s(0.01%)p1.00(10.71%)d8.33(89.28%)	0.000591963	1.807659471 Hartree
358	RY*(4)C34 s(0.03%)p99.99(77.96%)d99.99(22.01%)	0.000382960	0.878423965 Hartree
359	RY*(5)C34 s(97.11%)p0.00(0.22%)d0.03(2.68%)	0.000270315	1.150027799 Hartree
360	RY*(6)C34 s(0.63%)p2.19(1.38%)d99.99(97.99%)	0.000118266	2.378692663 Hartree
361	RY*(7)C34 s(58.24%)p0.01(0.31%)d0.71(41.45%)	0.000046309	3.491388488 Hartree
362	RY*(8)C34 s(41.23%)p0.01(0.57%)d1.41(58.20%)	0.000008147	2.993175936 Hartree
363	RY*(9)C34 s(0.67%)p15.84(10.55%)d99.99(88.78%)	0.000004759	1.777502636 Hartree
364	RY*(10)C34 s(1.54%)p4.89(7.52%)d59.15(90.94%)	0.000012170	2.030051894 Hartree
365	RY*(1)C35 s(0.23%)p99.99(94.87%)d21.12(4.90%)	0.006537259	1.259555233 Hartree
366	RY*(2)C35 s(0.28%)p99.99(97.60%)d7.50(2.12%)	0.003228641	0.853039028 Hartree
367	RY*(3)C35 s(6.82%)p9.44(64.36%)d4.23(28.82%)	0.001056026	1.056034095 Hartree
368	RY*(4)C35 s(56.67%)p0.04(2.40%)d0.72(40.93%)	0.000549249	1.431976349 Hartree
369	RY*(5)C35 s(30.79%)p0.97(29.91%)d1.28(39.30%)	0.000418036	1.304682304 Hartree
370	RY*(6)C35 s(4.86%)p0.34(1.65%)d19.23(93.49%)	0.000121209	2.392532905 Hartree
371	RY*(7)C35 s(68.58%)p0.00(0.19%)d0.46(31.23%)	0.000049961	3.719140526 Hartree
372	RY*(8)C35 s(2.03%)p2.52(5.11%)d45.73(92.86%)	0.000044895	2.224750893 Hartree
373	RY*(9)C35 s(7.28%)p0.52(3.76%)d12.22(88.96%)	0.000024862	1.971875074 Hartree
374	RY*(10)C35 s(22.46%)p0.01(0.32%)d3.44(77.22%)	0.000018275	2.677022814 Hartree
375	RY*(1)H36 s(100.00%)	0.002271954	0.744718280 Hartree
376	RY*(1)H37 s(100.00%)	0.000864724	0.566980912 Hartree
377	RY*(1)H38 s(100.00%)	0.000848865	0.561566584 Hartree
378	RY*(1)H39 s(100.00%)	0.000859748	0.563936378 Hartree
379	RY*(1)H40 s(100.00%)	0.001190661	0.720224100 Hartree
380	RY*(1)C41 s(0.70%)p99.99(93.14%)d8.76(6.16%)	0.005836009	1.243412211 Hartree
381	RY*(2)C41 s(3.41%)p27.96(95.24%)d0.40(1.36%)	0.005156072	1.048477298 Hartree
382	RY*(3)C41 s(66.53%)p0.48(32.06%)d0.02(1.41%)	0.002007114	1.109273543 Hartree
383	RY*(4)C41 s(28.53%)p2.49(71.00%)d0.02(0.47%)	0.001683438	0.961910387 Hartree
384	RY*(5)C41 s(0.19%)p0.18(0.03%)d99.99(99.78%)	0.000663567	1.944081696 Hartree
385	RY*(6)C41 s(0.14%)p4.90(0.67%)d99.99(99.19%)	0.000278368	2.380049542 Hartree
386	RY*(7)C41 s(0.16%)p3.91(0.63%)d99.99(99.21%)	0.000174612	2.025616100 Hartree
387	RY*(8)C41 s(6.63%)p0.98(6.48%)d13.12(86.90%)	0.000120772	2.196400973 Hartree
388	RY*(9)C41 s(39.06%)p0.02(0.65%)d1.54(60.29%)	0.000053797	3.189361865 Hartree
389	RY*(10)C41 s(54.84%)p0.00(0.09%)d0.82(45.08%)	0.000025533	3.438554194 Hartree
390	RY*(1)C42 s(0.09%)p99.99(94.28%)d64.41(5.64%)	0.006089520	1.271634665 Hartree
391	RY*(2)C42 s(1.13%)p85.50(96.41%)d2.18(2.46%)	0.002871690	0.839798066 Hartree
392	RY*(3)C42 s(1.10%)p58.75(64.35%)d31.55(34.56%)	0.000769095	1.123131902 Hartree
393	RY*(4)C42 s(36.70%)p0.45(16.62%)d1.27(46.67%)	0.000635530	1.434600029 Hartree
394	RY*(5)C42 s(60.01%)p0.28(16.75%)d0.39(23.25%)	0.000440130	1.202433970 Hartree
395	RY*(6)C42 s(0.78%)p3.01(2.36%)d99.99(96.86%)	0.000103852	2.406888484 Hartree
396	RY*(7)C42 s(37.83%)p0.07(2.51%)d1.58(59.65%)	0.000060214	2.870612346 Hartree
397	RY*(8)C42 s(4.02%)p0.29(1.15%)d23.61(94.84%)	0.000047858	2.120636300 Hartree
398	RY*(9)C42 s(58.00%)p0.02(1.41%)d0.70(40.59%)	0.000023187	3.397597551 Hartree
399	RY*(10)C42 s(0.38%)p11.27(4.30%)d99.99(95.32%)	0.000021721	2.172070331 Hartree
400	RY*(1)C43 s(0.42%)p99.99(92.44%)d17.09(7.14%)	0.005081277	1.271774333 Hartree
401	RY*(2)C43 s(0.28%)p99.99(98.39%)d4.80(1.33%)	0.002849541	0.710624253 Hartree
402	RY*(3)C43 s(0.23%)p20.39(4.65%)d99.99(95.12%)	0.000609977	1.886793071 Hartree
403	RY*(4)C43 s(0.74%)p99.99(83.90%)d20.86(15.36%)	0.000415881	0.793884138 Hartree
404	RY*(5)C43 s(95.76%)p0.01(1.13%)d0.03(3.12%)	0.000286650	1.158625220 Hartree
405	RY*(6)C43 s(0.72%)p2.02(1.47%)d99.99(97.81%)	0.000107307	2.357090827 Hartree
406	RY*(7)C43 s(52.07%)p0.00(0.25%)d0.92(47.68%)	0.000045955	3.370080046 Hartree
407	RY*(8)C43 s(11.57%)p0.36(4.14%)d7.29(84.29%)	0.000010272	2.361347819 Hartree
408	RY*(9)C43 s(28.51%)p0.18(5.06%)d2.33(66.43%)	0.000009552	2.604950320 Hartree
409	RY*(10)C43 s(9.75%)p0.89(8.71%)d8.36(81.54%)	0.000003610	1.968106923 Hartree
410	RY*(1)C44 s(0.59%)p99.99(91.82%)d12.85(7.59%)	0.004761818	1.276621909 Hartree
411	RY*(2)C44 s(0.00%)p1.00(98.50%)d0.02(1.49%)	0.002753752	0.709765467 Hartree
412	RY*(3)C44 s(0.03%)p63.63(1.65%)d99.99(98.32%)	0.000626764	1.925092613 Hartree
413	RY*(4)C44 s(0.01%)p1.00(89.18%)d0.12(10.82%)	0.000448164	0.729248030 Hartree
414	RY*(5)C44 s(96.59%)p0.00(0.11%)d0.03(3.30%)	0.000262384	1.091300479 Hartree
415	RY*(6)C44 s(0.04%)p37.03(1.53%)d99.99(98.43%)	0.000102790	2.365891517 Hartree
416	RY*(7)C44 s(56.01%)p0.00(0.20%)d0.78(43.79%)	0.000047474	3.465242900 Hartree
417	RY*(8)C44 s(2.35%)p3.17(7.44%)d38.44(90.22%)	0.000013366	2.095213410 Hartree
418	RY*(9)C44 s(1.56%)p5.66(8.80%)d57.58(89.64%)	0.000000567	1.766847680 Hartree
419	RY*(10)C44 s(42.87%)p0.02(0.90%)d1.31(56.23%)	0.000008582	3.001378451 Hartree
420	RY*(1)C45 s(0.46%)p99.99(92.30%)d15.81(7.24%)	0.005019270	1.276578906 Hartree
421	RY*(2)C45 s(0.09%)p99.99(98.60%)d15.43(1.31%)	0.002749436	0.713334768 Hartree
422	RY*(3)C45 s(0.02%)p99.99(4.88%)d99.99(95.10%)	0.000615349	1.886093924 Hartree
423	RY*(4)C45 s(0.00%)p1.00(84.67%)d0.18(15.33%)	0.000400541	0.789509406 Hartree
424	RY*(5)C45 s(97.08%)p0.00(0.16%)d0.03(2.77%)	0.000268231	1.145508912 Hartree
425	RY*(6)C45 s(0.23%)p6.16(1.39%)d99.99(98.38%)	0.000109528	2.369808891 Hartree
426	RY*(7)C45 s(53.81%)p0.01(0.28%)d0.85(45.91%)	0.000046667	3.411420852 Hartree
427	RY*(8)C45 s(9.11%)p0.94(8.53%)d9.04(82.36%)	0.000006835	2.048901146 Hartree
428	RY*(9)C45 s(1.44%)p5.18(7.46%)d63.34(91.10%)	0.000010960	2.014864577 Hartree
429	RY*(10)C45 s(37.81%)p0.05(1.88%)d1.60(60.31%)	0.000007406	2.839004395 Hartree
430	RY*(1)C46 s(0.27%)p99.99(94.84%)d17.88(4.89%)	0.006680400	1.282687048 Hartree
431	RY*(2)C46 s(0.21%)p99.99(98.13%)d7.91(1.66%)	0.003104530	0.807570097 Hartree
432	RY*(3)C46 s(0.49%)p99.99(63.26%)d73.28(36.24%)	0.000920272	1.118749785 Hartree
433	RY*(4)C46 s(56.57%)p0.20(11.46%)d0.57(31.97%)	0.000516048	1.314972672 Hartree
434	RY*(5)C46 s(39.47%)p0.52(20.46%)d1.02(40.07%)	0.000474496	1.339646791 Hartree
435	RY*(6)C46 s(1.33%)p1.61(2.13%)d72.85(96.54%)	0.000120175	2.380747788 Hartree
436	RY*(7)C46 s(28.31%)p0.09(2.47%)d2.45(69.22%)	0.000058651	2.661606003 Hartree
437	RY*(8)C46 s(47.73%)p0.05(2.59%)d1.04(49.68%)	0.000038910	3.247007454 Hartree
438	RY*(9)C46 s(0.41%)p8.13(3.35%)d99.99(96.24%)	0.000025759	2.042425576 Hartree
439	RY*(10)C46 s(25.24%)p0.06(1.45%)d2.90(73.31%)	0.000015253	2.608359626 Hartree
440	RY*(1)H47 s(100.00%)	0.001608134	0.766648794 Hartree
441	RY*(1)H48 s(100.00%)	0.000864376	0.565495292 Hartree
442	RY*(1)H49 s(100.00%)	0.000848251	0.563996833 Hartree
443	RY*(1)H50 s(100.00%)	0.000863296	0.564947860 Hartree
444	RY*(1)H51 s(100.00%)	0.001319024	0.694601150 Hartree

Natural Bond Orbitals

Display Range		- / 444
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	BD(1)P1-C2	752, 753	1.943327929	-0.530222718 Hartree
2	BD(1)P1-C19	754, 755	1.929967768	-0.484630004 Hartree
3	BD(1)P1-C30	756, 757	1.958630569	-0.574465080 Hartree
4	BD(1)P1-C41	758, 759	1.954746144	-0.576609156 Hartree
5	BD(1)C2-C3	760, 761	1.981269451	-0.601265597 Hartree
6	BD(1)C2-H17	762, 763	1.982053595	-0.507713146 Hartree
7	BD(1)C2-H18	764, 765	1.977946606	-0.501219292 Hartree
8	BD(1)C3-C4	766, 767	1.975974974	-0.567018113 Hartree
9	BD(1)C3-C7	768, 769	1.974682940	-0.570555181 Hartree
10	BD(1)C3-O16	770, 771	1.983709195	-0.738789088 Hartree
11	BD(1)C4-C5	772, 773	1.985975346	-0.554812588 Hartree
12	BD(1)C4-H14	774, 775	1.983188973	-0.479745527 Hartree
13	BD(1)C4-H15	776, 777	1.978792089	-0.474460922 Hartree
14	BD(1)C5-C6	778, 779	1.986728094	-0.545688710 Hartree
15	BD(1)C5-H12	780, 781	1.987571834	-0.476071073 Hartree
16	BD(1)C5-H13	782, 783	1.986517816	-0.471969544 Hartree
17	BD(1)C6-C7	784, 785	1.985183077	-0.556672279 Hartree
18	BD(1)C6-H10	786, 787	1.987338586	-0.476599743 Hartree
19	BD(1)C6-H11	788, 789	1.985424017	-0.468977562 Hartree
20	BD(1)C7-H8	790, 791	1.978723418	-0.475521500 Hartree
21	BD(1)C7-H9	792, 793	1.982592450	-0.481152978 Hartree
22	BD(1)C19-C20	794, 795	1.976309296	-0.678639970 Hartree
23	BD(2)C19-C20	796, 797	1.661493738	-0.233269358 Hartree
24	BD(1)C19-C24	798, 799	1.975126767	-0.675310196 Hartree
25	BD(1)C20-C21	800, 801	1.979229021	-0.675247627 Hartree
26	BD(1)C20-H29	802, 803	1.981269898	-0.503563036 Hartree
27	BD(1)C21-C22	804, 805	1.981116629	-0.680439831 Hartree
28	BD(2)C21-C22	806, 807	1.672358616	-0.236158227 Hartree
29	BD(1)C21-H28	808, 809	1.982929743	-0.509138102 Hartree
30	BD(1)C22-C23	810, 811	1.980640260	-0.678136896 Hartree
31	BD(1)C22-H27	812, 813	1.983280406	-0.512374390 Hartree
32	BD(1)C23-C24	814, 815	1.979414736	-0.682314099 Hartree
33	BD(2)C23-C24	816, 817	1.682312251	-0.238516964 Hartree
34	BD(1)C23-H26	818, 819	1.982945363	-0.511262573 Hartree
35	BD(1)C24-H25	820, 821	1.981307595	-0.508199138 Hartree
36	BD(1)C30-C31	822, 823	1.975983720	-0.688400277 Hartree
37	BD(1)C30-C35	824, 825	1.975821837	-0.682435698 Hartree
38	BD(2)C30-C35	826, 827	1.660267372	-0.241849217 Hartree
39	BD(1)C31-C32	828, 829	1.977729971	-0.687784108 Hartree
40	BD(2)C31-C32	830, 831	1.659478968	-0.243876290 Hartree
41	BD(1)C31-H40	832, 833	1.979753780	-0.515564326 Hartree
42	BD(1)C32-C33	834, 835	1.981272012	-0.688001349 Hartree
43	BD(1)C32-H39	836, 837	1.982553453	-0.516933528 Hartree
44	BD(1)C33-C34	838, 839	1.981528446	-0.687309951 Hartree
45	BD(2)C33-C34	840, 841	1.650856345	-0.242285502 Hartree
46	BD(1)C33-H38	842, 843	1.983300284	-0.519868388 Hartree
47	BD(1)C34-C35	844, 845	1.977974897	-0.684221949 Hartree
48	BD(1)C34-H37	846, 847	1.982522179	-0.514334684 Hartree
49	BD(1)C35-H36	848, 849	1.979477425	-0.503220847 Hartree
50	BD(1)C41-C42	850, 851	1.974434690	-0.688859441 Hartree
51	BD(1)C41-C46	852, 853	1.975389961	-0.687860561 Hartree
52	BD(2)C41-C46	854, 855	1.662643860	-0.241418285 Hartree
53	BD(1)C42-C43	856, 857	1.977891838	-0.686573205 Hartree
54	BD(2)C42-C43	858, 859	1.663003706	-0.241969966 Hartree
55	BD(1)C42-H51	860, 861	1.980715230	-0.514512719 Hartree
56	BD(1)C43-C44	862, 863	1.981083184	-0.685168100 Hartree
57	BD(1)C43-H50	864, 865	1.982545170	-0.515520580 Hartree
58	BD(1)C44-C45	866, 867	1.981193008	-0.685453154 Hartree
59	BD(2)C44-C45	868, 869	1.659763718	-0.240973899 Hartree
60	BD(1)C44-H49	870, 871	1.983091655	-0.517318790 Hartree
61	BD(1)C45-C46	872, 873	1.978448004	-0.683806648 Hartree
62	BD(1)C45-H48	874, 875	1.982572726	-0.514511981 Hartree
63	BD(1)C46-H47	876, 877	1.980955870	-0.510589621 Hartree
64	CR(1)P1	878	1.999999029	-76.162038411 Hartree
65	CR(2)P1	879	1.998447976	-7.436933898 Hartree
66	CR(3)P1	880	1.999769929	-4.768256698 Hartree
67	CR(4)P1	881	1.999814490	-4.768802626 Hartree
68	CR(5)P1	882	1.999784530	-4.767164179 Hartree
69	CR(1)C2	883	1.999144975	-10.042439785 Hartree
70	CR(1)C3	884	1.999015559	-10.085973340 Hartree
71	CR(1)C4	885	1.999222485	-10.025240131 Hartree
72	CR(1)C5	886	1.999374663	-10.035841544 Hartree
73	CR(1)C6	887	1.999367586	-10.034276621 Hartree
74	CR(1)C7	888	1.999211176	-10.026046633 Hartree
75	CR(1)O16	889	1.999840333	-18.866250754 Hartree
76	CR(1)C19	890	1.998931671	-10.029246906 Hartree
77	CR(1)C20	891	1.999010750	-10.028427269 Hartree
78	CR(1)C21	892	1.999092976	-10.036258265 Hartree
79	CR(1)C22	893	1.999087888	-10.037506006 Hartree
80	CR(1)C23	894	1.999079685	-10.037086446 Hartree
81	CR(1)C24	895	1.999026803	-10.031998612 Hartree
82	CR(1)C30	896	1.998844465	-10.052131486 Hartree
83	CR(1)C31	897	1.999023839	-10.040113033 Hartree
84	CR(1)C32	898	1.999087382	-10.044201487 Hartree
85	CR(1)C33	899	1.999090952	-10.047326990 Hartree
86	CR(1)C34	900	1.999087603	-10.042486285 Hartree
87	CR(1)C35	901	1.999023864	-10.033178630 Hartree
88	CR(1)C41	902	1.998855109	-10.047066034 Hartree
89	CR(1)C42	903	1.999020500	-10.039673850 Hartree
90	CR(1)C43	904	1.999089595	-10.043022131 Hartree
91	CR(1)C44	905	1.999094997	-10.044893086 Hartree
92	CR(1)C45	906	1.999093063	-10.042398192 Hartree
93	CR(1)C46	907	1.999015494	-10.037481444 Hartree
94	LP(1)O16	908	1.972309846	-0.550132034 Hartree
95	LP(2)O16	909	1.889916010	-0.242149488 Hartree
96	LP(3)O16	910	1.664561771	-0.457229225 Hartree
97	RY*(1)P1	911	0.036214614	1.296238433 Hartree
98	RY*(2)P1	912	0.009641591	0.836299973 Hartree
99	RY*(3)P1	913	0.008434380	0.854156491 Hartree
100	RY*(4)P1	914	0.005544945	0.926042744 Hartree
101	RY*(5)P1	915	0.004648645	1.160739569 Hartree
102	RY*(6)P1	916	0.004332214	0.873997198 Hartree
103	RY*(7)P1	917	0.003414796	1.032065806 Hartree
104	RY*(8)P1	918	0.003007464	0.871023989 Hartree
105	RY*(9)P1	919	0.001632315	0.796887008 Hartree
106	RY*(10)P1	920	0.000008983	3.404181785 Hartree
107	RY*(1)C2	921	0.003055167	1.115004337 Hartree
108	RY*(2)C2	922	0.002230551	1.273245115 Hartree
109	RY*(3)C2	923	0.001148440	0.977730267 Hartree
110	RY*(4)C2	924	0.000899161	0.941695313 Hartree
111	RY*(5)C2	925	0.000466914	1.824005822 Hartree
112	RY*(6)C2	926	0.000160585	2.169621441 Hartree
113	RY*(7)C2	927	0.000124824	1.846991168 Hartree
114	RY*(8)C2	928	0.000066039	2.289009536 Hartree
115	RY*(9)C2	929	0.000038877	2.252560426 Hartree
116	RY*(10)C2	930	0.000006266	3.981918935 Hartree
117	RY*(1)C3	931	0.008594623	0.991016990 Hartree
118	RY*(2)C3	932	0.004914527	1.034934424 Hartree
119	RY*(3)C3	933	0.003314983	1.144727593 Hartree
120	RY*(4)C3	934	0.001450733	1.776207682 Hartree
121	RY*(5)C3	935	0.001273773	2.143922617 Hartree
122	RY*(6)C3	936	0.000745968	2.374171272 Hartree
123	RY*(7)C3	937	0.000405855	2.050750861 Hartree
124	RY*(8)C3	938	0.000338845	2.111414947 Hartree
125	RY*(9)C3	939	0.000244651	2.031826085 Hartree
126	RY*(10)C3	940	0.000027068	4.355636629 Hartree
127	RY*(1)C4	941	0.003681368	1.119974899 Hartree
128	RY*(2)C4	942	0.002048884	0.843715068 Hartree
129	RY*(3)C4	943	0.001250269	0.990006586 Hartree
130	RY*(4)C4	944	0.000458940	1.538925990 Hartree
131	RY*(5)C4	945	0.000240894	1.981266259 Hartree
132	RY*(6)C4	946	0.000166629	2.114086681 Hartree
133	RY*(7)C4	947	0.000098526	1.935319826 Hartree
134	RY*(8)C4	948	0.000061261	2.104611101 Hartree
135	RY*(9)C4	949	0.000006598	4.111912443 Hartree
136	RY*(10)C4	950	0.000016546	2.120431392 Hartree
137	RY*(1)C5	951	0.003613262	1.072135908 Hartree
138	RY*(2)C5	952	0.001742057	0.916160890 Hartree
139	RY*(3)C5	953	0.000705783	0.703205726 Hartree
140	RY*(4)C5	954	0.000411866	1.645853466 Hartree
141	RY*(5)C5	955	0.000284147	1.849799040 Hartree
142	RY*(6)C5	956	0.000090347	1.957421486 Hartree
143	RY*(7)C5	957	0.000066439	2.132057293 Hartree
144	RY*(8)C5	958	0.000003819	4.106264781 Hartree
145	RY*(9)C5	959	0.000011074	2.077683238 Hartree
146	RY*(10)C5	960	0.000009027	2.108528914 Hartree
147	RY*(1)C6	961	0.003593854	1.112784734 Hartree
148	RY*(2)C6	962	0.001657605	0.924453676 Hartree
149	RY*(3)C6	963	0.000714888	0.718745199 Hartree
150	RY*(4)C6	964	0.000378379	1.658401005 Hartree
151	RY*(5)C6	965	0.000269705	1.834882398 Hartree
152	RY*(6)C6	966	0.000090054	1.972294700 Hartree
153	RY*(7)C6	967	0.000070338	2.136881434 Hartree
154	RY*(8)C6	968	0.000015030	2.127422897 Hartree
155	RY*(9)C6	969	0.000003459	3.989671885 Hartree
156	RY*(10)C6	970	0.000008967	2.143411519 Hartree
157	RY*(1)C7	971	0.003752536	1.126737717 Hartree
158	RY*(2)C7	972	0.001772088	0.877918608 Hartree
159	RY*(3)C7	973	0.000949637	0.921066054 Hartree
160	RY*(4)C7	974	0.000420220	1.557295208 Hartree
161	RY*(5)C7	975	0.000247752	1.983464643 Hartree
162	RY*(6)C7	976	0.000155818	2.098773306 Hartree
163	RY*(7)C7	977	0.000107527	1.886241843 Hartree
164	RY*(8)C7	978	0.000074333	2.198893114 Hartree
165	RY*(9)C7	979	0.000006254	4.061073001 Hartree
166	RY*(10)C7	980	0.000013493	2.109692105 Hartree
167	RY*(1)H8	981	0.001391053	0.674122647 Hartree
168	RY*(1)H9	982	0.001216716	0.756329530 Hartree
169	RY*(1)H10	983	0.000959062	0.644149481 Hartree
170	RY*(1)H11	984	0.001585459	0.663800140 Hartree
171	RY*(1)H12	985	0.001007274	0.645706868 Hartree
172	RY*(1)H13	986	0.001331627	0.677645611 Hartree
173	RY*(1)H14	987	0.001151354	0.737332984 Hartree
174	RY*(1)H15	988	0.001377310	0.677227841 Hartree
175	RY*(1)O16	989	0.003490354	1.790798410 Hartree
176	RY*(2)O16	990	0.001644808	1.409138162 Hartree
177	RY*(3)O16	991	0.001514355	1.373002439 Hartree
178	RY*(4)O16	992	0.000330858	1.637642337 Hartree
179	RY*(5)O16	993	0.000152331	2.007783742 Hartree
180	RY*(6)O16	994	0.000112571	2.101698937 Hartree
181	RY*(7)O16	995	0.000054674	2.881447554 Hartree
182	RY*(8)O16	996	0.000031886	2.190665289 Hartree
183	RY*(9)O16	997	0.000037354	2.035595073 Hartree
184	RY*(10)O16	998	0.000029622	3.122648234 Hartree
185	RY*(1)H17	999	0.001137711	0.700230263 Hartree
186	RY*(1)H18	1000	0.001157266	0.696210922 Hartree
187	RY*(1)C19	1001	0.006937738	1.260836516 Hartree
188	RY*(2)C19	1002	0.004661131	0.951182360 Hartree
189	RY*(3)C19	1003	0.002551157	1.299955935 Hartree
190	RY*(4)C19	1004	0.001411654	0.860490470 Hartree
191	RY*(5)C19	1005	0.000595050	1.948844681 Hartree
192	RY*(6)C19	1006	0.000215359	2.432391192 Hartree
193	RY*(7)C19	1007	0.000194073	1.954923685 Hartree
194	RY*(8)C19	1008	0.000107364	2.248554595 Hartree
195	RY*(9)C19	1009	0.000044228	2.668886750 Hartree
196	RY*(10)C19	1010	0.000026367	3.874519929 Hartree
197	RY*(1)C20	1011	0.006538816	1.276124091 Hartree
198	RY*(2)C20	1012	0.002905586	0.836835828 Hartree
199	RY*(3)C20	1013	0.000830344	1.012580235 Hartree
200	RY*(4)C20	1014	0.000553297	1.313737763 Hartree
201	RY*(5)C20	1015	0.000514510	1.430354498 Hartree
202	RY*(6)C20	1016	0.000109258	2.406687462 Hartree
203	RY*(7)C20	1017	0.000049344	3.170177035 Hartree
204	RY*(8)C20	1018	0.000043539	2.069936515 Hartree
205	RY*(9)C20	1019	0.000024761	2.662539343 Hartree
206	RY*(10)C20	1020	0.000017793	2.668157648 Hartree
207	RY*(1)C21	1021	0.005093518	1.278630635 Hartree
208	RY*(2)C21	1022	0.002819919	0.720978698 Hartree
209	RY*(3)C21	1023	0.000619366	1.949675792 Hartree
210	RY*(4)C21	1024	0.000431440	0.735989157 Hartree
211	RY*(5)C21	1025	0.000282306	1.145394051 Hartree
212	RY*(6)C21	1026	0.000116177	2.373198619 Hartree
213	RY*(7)C21	1027	0.000046274	3.366536580 Hartree
214	RY*(8)C21	1028	0.000016171	2.126393753 Hartree
215	RY*(9)C21	1029	0.000005855	2.502970361 Hartree
216	RY*(10)C21	1030	0.000004834	2.342322958 Hartree
217	RY*(1)C22	1031	0.004744265	1.280152091 Hartree
218	RY*(2)C22	1032	0.002755444	0.713232419 Hartree
219	RY*(3)C22	1033	0.000607224	1.945233384 Hartree
220	RY*(4)C22	1034	0.000493542	0.719807159 Hartree
221	RY*(5)C22	1035	0.000277866	1.080393541 Hartree
222	RY*(6)C22	1036	0.000101747	2.373801128 Hartree
223	RY*(7)C22	1037	0.000047377	3.504829971 Hartree
224	RY*(8)C22	1038	0.000009090	2.464374652 Hartree
225	RY*(9)C22	1039	0.000011331	2.233387505 Hartree
226	RY*(10)C22	1040	0.000003378	2.160935769 Hartree
227	RY*(1)C23	1041	0.005106999	1.271429021 Hartree
228	RY*(2)C23	1042	0.002947869	0.715095158 Hartree
229	RY*(3)C23	1043	0.000653561	1.864102095 Hartree
230	RY*(4)C23	1044	0.000438563	0.816185750 Hartree
231	RY*(5)C23	1045	0.000293966	1.135606976 Hartree
232	RY*(6)C23	1046	0.000111799	2.370563168 Hartree
233	RY*(7)C23	1047	0.000045777	3.362534015 Hartree
234	RY*(8)C23	1048	0.000012817	2.843412205 Hartree
235	RY*(9)C23	1049	0.000007058	1.882690519 Hartree
236	RY*(10)C23	1050	0.000009973	2.247833688 Hartree
237	RY*(1)C24	1051	0.006429696	1.262194660 Hartree
238	RY*(2)C24	1052	0.002779260	0.828742630 Hartree
239	RY*(3)C24	1053	0.000916765	0.822995945 Hartree
240	RY*(4)C24	1054	0.000610651	1.415547478 Hartree
241	RY*(5)C24	1055	0.000585364	1.548070150 Hartree
242	RY*(6)C24	1056	0.000111760	2.424616684 Hartree
243	RY*(7)C24	1057	0.000052886	3.221133441 Hartree
244	RY*(8)C24	1058	0.000060124	1.822061241 Hartree
245	RY*(9)C24	1059	0.000039003	2.394135689 Hartree
246	RY*(10)C24	1060	0.000019999	3.117641029 Hartree
247	RY*(1)H25	1061	0.001142648	0.658759082 Hartree
248	RY*(1)H26	1062	0.000950017	0.568747393 Hartree
249	RY*(1)H27	1063	0.000874006	0.567645523 Hartree
250	RY*(1)H28	1064	0.000936105	0.570885362 Hartree
251	RY*(1)H29	1065	0.001204770	0.689196582 Hartree
252	RY*(1)C30	1066	0.005737748	1.193740957 Hartree
253	RY*(2)C30	1067	0.005322682	1.036477630 Hartree
254	RY*(3)C30	1068	0.001662753	0.813650102 Hartree
255	RY*(4)C30	1069	0.001474135	1.230046216 Hartree
256	RY*(5)C30	1070	0.000636915	1.931789079 Hartree
257	RY*(6)C30	1071	0.000256452	2.485404685 Hartree
258	RY*(7)C30	1072	0.000132908	2.192895942 Hartree
259	RY*(8)C30	1073	0.000113083	1.929899905 Hartree
260	RY*(9)C30	1074	0.000053730	3.079052177 Hartree
261	RY*(10)C30	1075	0.000021154	3.551193591 Hartree
262	RY*(1)C31	1076	0.005848130	1.258676673 Hartree
263	RY*(2)C31	1077	0.002979303	0.863880574 Hartree
264	RY*(3)C31	1078	0.000826315	1.243506857 Hartree
265	RY*(4)C31	1079	0.000578287	1.303641979 Hartree
266	RY*(5)C31	1080	0.000466891	1.204614800 Hartree
267	RY*(6)C31	1081	0.000111827	2.390323539 Hartree
268	RY*(7)C31	1082	0.000064979	2.921463867 Hartree
269	RY*(8)C31	1083	0.000031337	2.355541130 Hartree
270	RY*(9)C31	1084	0.000032243	1.902935244 Hartree
271	RY*(10)C31	1085	0.000029622	3.411346933 Hartree
272	RY*(1)C32	1086	0.005172860	1.268529004 Hartree
273	RY*(2)C32	1087	0.002787281	0.713356521 Hartree
274	RY*(3)C32	1088	0.000576012	1.863187704 Hartree
275	RY*(4)C32	1089	0.000444413	0.808149184 Hartree
276	RY*(5)C32	1090	0.000287120	1.156253711 Hartree
277	RY*(6)C32	1091	0.000110339	2.358267511 Hartree
278	RY*(7)C32	1092	0.000046009	3.414249347 Hartree
279	RY*(8)C32	1093	0.000007620	3.027248317 Hartree
280	RY*(9)C32	1094	0.000009746	1.997512613 Hartree
281	RY*(10)C32	1095	0.000004597	1.867448656 Hartree
282	RY*(1)C33	1096	0.004769098	1.275951914 Hartree
283	RY*(2)C33	1097	0.002777571	0.706562289 Hartree
284	RY*(3)C33	1098	0.000628392	1.934251957 Hartree
285	RY*(4)C33	1099	0.000425693	0.714855253 Hartree
286	RY*(5)C33	1100	0.000256004	1.090684954 Hartree
287	RY*(6)C33	1101	0.000103599	2.365077871 Hartree
288	RY*(7)C33	1102	0.000047511	3.462274261 Hartree
289	RY*(8)C33	1103	0.000008882	2.587004570 Hartree
290	RY*(9)C33	1104	0.000011996	2.327862882 Hartree
291	RY*(10)C33	1105	0.000002289	1.940953420 Hartree
292	RY*(1)C34	1106	0.005060457	1.274492125 Hartree
293	RY*(2)C34	1107	0.002753536	0.717875749 Hartree
294	RY*(3)C34	1108	0.000591963	1.807659471 Hartree
295	RY*(4)C34	1109	0.000382960	0.878423965 Hartree
296	RY*(5)C34	1110	0.000270315	1.150027799 Hartree
297	RY*(6)C34	1111	0.000118266	2.378692663 Hartree
298	RY*(7)C34	1112	0.000046309	3.491388488 Hartree
299	RY*(8)C34	1113	0.000008147	2.993175936 Hartree
300	RY*(9)C34	1114	0.000004759	1.777502636 Hartree
301	RY*(10)C34	1115	0.000012170	2.030051894 Hartree
302	RY*(1)C35	1116	0.006537259	1.259555233 Hartree
303	RY*(2)C35	1117	0.003228641	0.853039028 Hartree
304	RY*(3)C35	1118	0.001056026	1.056034095 Hartree
305	RY*(4)C35	1119	0.000549249	1.431976349 Hartree
306	RY*(5)C35	1120	0.000418036	1.304682304 Hartree
307	RY*(6)C35	1121	0.000121209	2.392532905 Hartree
308	RY*(7)C35	1122	0.000049961	3.719140526 Hartree
309	RY*(8)C35	1123	0.000044895	2.224750893 Hartree
310	RY*(9)C35	1124	0.000024862	1.971875074 Hartree
311	RY*(10)C35	1125	0.000018275	2.677022814 Hartree
312	RY*(1)H36	1126	0.002271954	0.744718280 Hartree
313	RY*(1)H37	1127	0.000864724	0.566980912 Hartree
314	RY*(1)H38	1128	0.000848865	0.561566584 Hartree
315	RY*(1)H39	1129	0.000859748	0.563936378 Hartree
316	RY*(1)H40	1130	0.001190661	0.720224100 Hartree
317	RY*(1)C41	1131	0.005836009	1.243412211 Hartree
318	RY*(2)C41	1132	0.005156072	1.048477298 Hartree
319	RY*(3)C41	1133	0.002007114	1.109273543 Hartree
320	RY*(4)C41	1134	0.001683438	0.961910387 Hartree
321	RY*(5)C41	1135	0.000663567	1.944081696 Hartree
322	RY*(6)C41	1136	0.000278368	2.380049542 Hartree
323	RY*(7)C41	1137	0.000174612	2.025616100 Hartree
324	RY*(8)C41	1138	0.000120772	2.196400973 Hartree
325	RY*(9)C41	1139	0.000053797	3.189361865 Hartree
326	RY*(10)C41	1140	0.000025533	3.438554194 Hartree
327	RY*(1)C42	1141	0.006089520	1.271634665 Hartree
328	RY*(2)C42	1142	0.002871690	0.839798066 Hartree
329	RY*(3)C42	1143	0.000769095	1.123131902 Hartree
330	RY*(4)C42	1144	0.000635530	1.434600029 Hartree
331	RY*(5)C42	1145	0.000440130	1.202433970 Hartree
332	RY*(6)C42	1146	0.000103852	2.406888484 Hartree
333	RY*(7)C42	1147	0.000060214	2.870612346 Hartree
334	RY*(8)C42	1148	0.000047858	2.120636300 Hartree
335	RY*(9)C42	1149	0.000023187	3.397597551 Hartree
336	RY*(10)C42	1150	0.000021721	2.172070331 Hartree
337	RY*(1)C43	1151	0.005081277	1.271774333 Hartree
338	RY*(2)C43	1152	0.002849541	0.710624253 Hartree
339	RY*(3)C43	1153	0.000609977	1.886793071 Hartree
340	RY*(4)C43	1154	0.000415881	0.793884138 Hartree
341	RY*(5)C43	1155	0.000286650	1.158625220 Hartree
342	RY*(6)C43	1156	0.000107307	2.357090827 Hartree
343	RY*(7)C43	1157	0.000045955	3.370080046 Hartree
344	RY*(8)C43	1158	0.000010272	2.361347819 Hartree
345	RY*(9)C43	1159	0.000009552	2.604950320 Hartree
346	RY*(10)C43	1160	0.000003610	1.968106923 Hartree
347	RY*(1)C44	1161	0.004761818	1.276621909 Hartree
348	RY*(2)C44	1162	0.002753752	0.709765467 Hartree
349	RY*(3)C44	1163	0.000626764	1.925092613 Hartree
350	RY*(4)C44	1164	0.000448164	0.729248030 Hartree
351	RY*(5)C44	1165	0.000262384	1.091300479 Hartree
352	RY*(6)C44	1166	0.000102790	2.365891517 Hartree
353	RY*(7)C44	1167	0.000047474	3.465242900 Hartree
354	RY*(8)C44	1168	0.000013366	2.095213410 Hartree
355	RY*(9)C44	1169	0.000000567	1.766847680 Hartree
356	RY*(10)C44	1170	0.000008582	3.001378451 Hartree
357	RY*(1)C45	1171	0.005019270	1.276578906 Hartree
358	RY*(2)C45	1172	0.002749436	0.713334768 Hartree
359	RY*(3)C45	1173	0.000615349	1.886093924 Hartree
360	RY*(4)C45	1174	0.000400541	0.789509406 Hartree
361	RY*(5)C45	1175	0.000268231	1.145508912 Hartree
362	RY*(6)C45	1176	0.000109528	2.369808891 Hartree
363	RY*(7)C45	1177	0.000046667	3.411420852 Hartree
364	RY*(8)C45	1178	0.000006835	2.048901146 Hartree
365	RY*(9)C45	1179	0.000010960	2.014864577 Hartree
366	RY*(10)C45	1180	0.000007406	2.839004395 Hartree
367	RY*(1)C46	1181	0.006680400	1.282687048 Hartree
368	RY*(2)C46	1182	0.003104530	0.807570097 Hartree
369	RY*(3)C46	1183	0.000920272	1.118749785 Hartree
370	RY*(4)C46	1184	0.000516048	1.314972672 Hartree
371	RY*(5)C46	1185	0.000474496	1.339646791 Hartree
372	RY*(6)C46	1186	0.000120175	2.380747788 Hartree
373	RY*(7)C46	1187	0.000058651	2.661606003 Hartree
374	RY*(8)C46	1188	0.000038910	3.247007454 Hartree
375	RY*(9)C46	1189	0.000025759	2.042425576 Hartree
376	RY*(10)C46	1190	0.000015253	2.608359626 Hartree
377	RY*(1)H47	1191	0.001608134	0.766648794 Hartree
378	RY*(1)H48	1192	0.000864376	0.565495292 Hartree
379	RY*(1)H49	1193	0.000848251	0.563996833 Hartree
380	RY*(1)H50	1194	0.000863296	0.564947860 Hartree
381	RY*(1)H51	1195	0.001319024	0.694601150 Hartree
382	BD*(1)P1-C2		0.122763933	0.177736764 Hartree
383	BD*(1)P1-C19		0.171988766	0.242048874 Hartree
384	BD*(1)P1-C30		0.105054436	0.216799188 Hartree
385	BD*(1)P1-C41		0.113046720	0.223901108 Hartree
386	BD*(1)C2-C3		0.027044398	0.394209865 Hartree
387	BD*(1)C2-H17		0.012640138	0.457842265 Hartree
388	BD*(1)C2-H18		0.009879523	0.446497231 Hartree
389	BD*(1)C3-C4		0.042602419	0.388341988 Hartree
390	BD*(1)C3-C7		0.040628350	0.392279937 Hartree
391	BD*(1)C3-O16		0.040873609	0.331554333 Hartree
392	BD*(1)C4-C5		0.010791012	0.392695992 Hartree
393	BD*(1)C4-H14		0.010716796	0.483866047 Hartree
394	BD*(1)C4-H15		0.011820003	0.460121517 Hartree
395	BD*(1)C5-C6		0.013588020	0.380326820 Hartree
396	BD*(1)C5-H12		0.008845235	0.479821418 Hartree
397	BD*(1)C5-H13		0.009645911	0.482260210 Hartree
398	BD*(1)C6-C7		0.010837621	0.395735362 Hartree
399	BD*(1)C6-H10		0.009130898	0.481132315 Hartree
400	BD*(1)C6-H11		0.010185701	0.484622200 Hartree
401	BD*(1)C7-H8		0.012294993	0.458995557 Hartree
402	BD*(1)C7-H9		0.011442941	0.481205782 Hartree
403	BD*(1)C19-C20		0.021253278	0.587721460 Hartree
404	BD*(2)C19-C20		0.333085862	0.045006355 Hartree
405	BD*(1)C19-C24		0.020709775	0.573463329 Hartree
406	BD*(1)C20-C21		0.017777187	0.592467976 Hartree
407	BD*(1)C20-H29		0.016319438	0.494964431 Hartree
408	BD*(1)C21-C22		0.015870624	0.595055739 Hartree
409	BD*(2)C21-C22		0.325186130	0.046470850 Hartree
410	BD*(1)C21-H28		0.012445143	0.481649768 Hartree
411	BD*(1)C22-C23		0.016029637	0.588418118 Hartree
412	BD*(1)C22-H27		0.012350601	0.481385728 Hartree
413	BD*(1)C23-C24		0.018064828	0.596060680 Hartree
414	BD*(2)C23-C24		0.322687459	0.044696788 Hartree
415	BD*(1)C23-H26		0.012520537	0.479447747 Hartree
416	BD*(1)C24-H25		0.015770622	0.479314150 Hartree
417	BD*(1)C30-C31		0.023385090	0.566749498 Hartree
418	BD*(1)C30-C35		0.022161391	0.570902588 Hartree
419	BD*(2)C30-C35		0.357067635	0.034005868 Hartree
420	BD*(1)C31-C32		0.016818364	0.588684457 Hartree
421	BD*(2)C31-C32		0.315460858	0.038474902 Hartree
422	BD*(1)C31-H40		0.015937183	0.490488913 Hartree
423	BD*(1)C32-C33		0.016015013	0.583802316 Hartree
424	BD*(1)C32-H39		0.012242954	0.476032848 Hartree
425	BD*(1)C33-C34		0.016245911	0.585314696 Hartree
426	BD*(2)C33-C34		0.322910740	0.039383796 Hartree
427	BD*(1)C33-H38		0.012433266	0.475502985 Hartree
428	BD*(1)C34-C35		0.017092801	0.594007107 Hartree
429	BD*(1)C34-H37		0.012443148	0.478788570 Hartree
430	BD*(1)C35-H36		0.020835413	0.513683889 Hartree
431	BD*(1)C41-C42		0.022950754	0.570623922 Hartree
432	BD*(1)C41-C46		0.022407496	0.577656926 Hartree
433	BD*(2)C41-C46		0.351489264	0.036514798 Hartree
434	BD*(1)C42-C43		0.016600843	0.589396308 Hartree
435	BD*(2)C42-C43		0.318243885	0.040391582 Hartree
436	BD*(1)C42-H51		0.014709983	0.486870801 Hartree
437	BD*(1)C43-C44		0.015758703	0.584315981 Hartree
438	BD*(1)C43-H50		0.012175950	0.477826989 Hartree
439	BD*(1)C44-C45		0.015811762	0.586021978 Hartree
440	BD*(2)C44-C45		0.328006918	0.040494568 Hartree
441	BD*(1)C44-H49		0.012228688	0.477777501 Hartree
442	BD*(1)C45-C46		0.016638657	0.589536134 Hartree
443	BD*(1)C45-H48		0.012151489	0.478506203 Hartree
444	BD*(1)C46-H47		0.016292398	0.504056304 Hartree

Quote

I DO NOT DEFINE TIME, SPACE, PLACE, AND MOTION, AS BEING WELL KNOWN TO ALL. -- NEWTON (1642-1726), PRINCIPIA

WebMO Job Summary

610645: C24H25OP, Natural Bond Orbitals - Gaussian

Calculated Quantities

Overview

Rotational Constants

Molecular Orbitals

Natural Population Analysis

Natural Atomic Orbitals

Natural Hybrid Orbitals

Natural Bond Orbitals

Quote