WebMO Job Summary

Overview

Quantity	Value
Route	#N B3LYP/6-31G(d) SP GFINPUT POP=(FULL,NBORead) Geom=Connectivity
Stoichiometry	C₂₀H₂₄
Symmetry	C1
Basis	6-31G(d)
RB3LYP Energy	-776.524586616 Hartree
Dipole Moment	0.3227 Debye
Server	default (2770082)
CPU time	777.7 sec

Rotational Constants

Constant	Frequency (GHz)	Frequency (cm^-1)
a	0.5129975	0.01711175469
b	0.2638064	0.00879963431
c	0.2044477	0.00681964121

Molecular Orbitals

Display Range		- / 348
Orbital	Symmetry	Occupancy	Energy	Actions
1	-	2	-10.19150 Hartree
2	-	2	-10.19046 Hartree
3	-	2	-10.18560 Hartree
4	-	2	-10.18447 Hartree
5	-	2	-10.17685 Hartree
6	-	2	-10.17601 Hartree
7	-	2	-10.17528 Hartree
8	-	2	-10.17517 Hartree
9	-	2	-10.17328 Hartree
10	-	2	-10.17326 Hartree
11	-	2	-10.17321 Hartree
12	-	2	-10.17263 Hartree
13	-	2	-10.17259 Hartree
14	-	2	-10.17247 Hartree
15	-	2	-10.17128 Hartree
16	-	2	-10.17120 Hartree
17	-	2	-10.17049 Hartree
18	-	2	-10.17009 Hartree
19	-	2	-10.16989 Hartree
20	-	2	-10.16976 Hartree
21	-	2	-0.88481 Hartree
22	-	2	-0.87458 Hartree
23	-	2	-0.85481 Hartree
24	-	2	-0.77116 Hartree
25	-	2	-0.76745 Hartree
26	-	2	-0.74959 Hartree
27	-	2	-0.74883 Hartree
28	-	2	-0.73748 Hartree
29	-	2	-0.71107 Hartree
30	-	2	-0.68911 Hartree
31	-	2	-0.66043 Hartree
32	-	2	-0.63701 Hartree
33	-	2	-0.61135 Hartree
34	-	2	-0.60332 Hartree
35	-	2	-0.60032 Hartree
36	-	2	-0.56989 Hartree
37	-	2	-0.56829 Hartree
38	-	2	-0.51869 Hartree
39	-	2	-0.50980 Hartree
40	-	2	-0.49047 Hartree
41	-	2	-0.46961 Hartree
42	-	2	-0.45728 Hartree
43	-	2	-0.45520 Hartree
44	-	2	-0.44903 Hartree
45	-	2	-0.44642 Hartree
46	-	2	-0.43609 Hartree
47	-	2	-0.43032 Hartree
48	-	2	-0.41531 Hartree
49	-	2	-0.41277 Hartree
50	-	2	-0.41249 Hartree
51	-	2	-0.40856 Hartree
52	-	2	-0.39740 Hartree
53	-	2	-0.39627 Hartree
54	-	2	-0.38624 Hartree
55	-	2	-0.37589 Hartree
56	-	2	-0.37330 Hartree
57	-	2	-0.36949 Hartree
58	-	2	-0.35906 Hartree
59	-	2	-0.35335 Hartree
60	-	2	-0.35273 Hartree
61	-	2	-0.33815 Hartree
62	-	2	-0.33540 Hartree
63	-	2	-0.33255 Hartree
64	-	2	-0.33214 Hartree
65	-	2	-0.30819 Hartree
66	-	2	-0.29878 Hartree
67	-	2	-0.28594 Hartree
68	-	2	-0.28116 Hartree
69	-	2	-0.25206 Hartree
70	-	2	-0.25082 Hartree
71	-	2	-0.24416 Hartree
72	-	2	-0.23471 Hartree
73	-	0	0.00798 Hartree
74	-	0	0.01725 Hartree
75	-	0	0.01754 Hartree
76	-	0	0.01858 Hartree
77	-	0	0.07401 Hartree
78	-	0	0.08501 Hartree
79	-	0	0.09256 Hartree
80	-	0	0.10035 Hartree
81	-	0	0.11139 Hartree
82	-	0	0.11957 Hartree
83	-	0	0.12262 Hartree
84	-	0	0.12779 Hartree
85	-	0	0.14175 Hartree
86	-	0	0.14540 Hartree
87	-	0	0.15007 Hartree
88	-	0	0.15865 Hartree
89	-	0	0.16430 Hartree
90	-	0	0.16861 Hartree
91	-	0	0.17298 Hartree
92	-	0	0.17476 Hartree
93	-	0	0.17517 Hartree
94	-	0	0.18625 Hartree
95	-	0	0.19075 Hartree
96	-	0	0.19375 Hartree
97	-	0	0.20068 Hartree
98	-	0	0.20185 Hartree
99	-	0	0.21157 Hartree
100	-	0	0.22070 Hartree
101	-	0	0.23041 Hartree
102	-	0	0.23509 Hartree
103	-	0	0.23695 Hartree
104	-	0	0.24479 Hartree
105	-	0	0.25442 Hartree
106	-	0	0.25683 Hartree
107	-	0	0.26328 Hartree
108	-	0	0.29327 Hartree
109	-	0	0.29415 Hartree
110	-	0	0.29507 Hartree
111	-	0	0.33201 Hartree
112	-	0	0.33588 Hartree
113	-	0	0.33753 Hartree
114	-	0	0.34311 Hartree
115	-	0	0.35177 Hartree
116	-	0	0.36744 Hartree
117	-	0	0.37308 Hartree
118	-	0	0.39437 Hartree
119	-	0	0.41169 Hartree
120	-	0	0.42598 Hartree
121	-	0	0.45287 Hartree
122	-	0	0.49264 Hartree
123	-	0	0.50154 Hartree
124	-	0	0.50870 Hartree
125	-	0	0.51576 Hartree
126	-	0	0.51918 Hartree
127	-	0	0.53901 Hartree
128	-	0	0.54104 Hartree
129	-	0	0.54656 Hartree
130	-	0	0.55267 Hartree
131	-	0	0.56909 Hartree
132	-	0	0.57222 Hartree
133	-	0	0.57576 Hartree
134	-	0	0.58012 Hartree
135	-	0	0.58761 Hartree
136	-	0	0.60339 Hartree
137	-	0	0.60870 Hartree
138	-	0	0.61178 Hartree
139	-	0	0.61291 Hartree
140	-	0	0.61634 Hartree
141	-	0	0.61998 Hartree
142	-	0	0.62869 Hartree
143	-	0	0.62944 Hartree
144	-	0	0.63284 Hartree
145	-	0	0.63476 Hartree
146	-	0	0.63714 Hartree
147	-	0	0.64024 Hartree
148	-	0	0.64273 Hartree
149	-	0	0.65676 Hartree
150	-	0	0.66771 Hartree
151	-	0	0.67601 Hartree
152	-	0	0.68628 Hartree
153	-	0	0.69100 Hartree
154	-	0	0.70024 Hartree
155	-	0	0.70269 Hartree
156	-	0	0.71633 Hartree
157	-	0	0.72780 Hartree
158	-	0	0.73610 Hartree
159	-	0	0.74953 Hartree
160	-	0	0.76758 Hartree
161	-	0	0.77781 Hartree
162	-	0	0.78962 Hartree
163	-	0	0.79293 Hartree
164	-	0	0.80645 Hartree
165	-	0	0.82441 Hartree
166	-	0	0.82797 Hartree
167	-	0	0.83435 Hartree
168	-	0	0.83633 Hartree
169	-	0	0.83867 Hartree
170	-	0	0.84883 Hartree
171	-	0	0.85540 Hartree
172	-	0	0.85972 Hartree
173	-	0	0.86331 Hartree
174	-	0	0.87018 Hartree
175	-	0	0.87280 Hartree
176	-	0	0.88063 Hartree
177	-	0	0.88716 Hartree
178	-	0	0.89025 Hartree
179	-	0	0.90306 Hartree
180	-	0	0.90539 Hartree
181	-	0	0.90708 Hartree
182	-	0	0.92095 Hartree
183	-	0	0.92961 Hartree
184	-	0	0.94487 Hartree
185	-	0	0.94957 Hartree
186	-	0	0.95271 Hartree
187	-	0	0.96410 Hartree
188	-	0	0.97199 Hartree
189	-	0	0.97763 Hartree
190	-	0	0.98449 Hartree
191	-	0	0.98746 Hartree
192	-	0	0.99324 Hartree
193	-	0	0.99763 Hartree
194	-	0	1.01996 Hartree
195	-	0	1.02229 Hartree
196	-	0	1.03043 Hartree
197	-	0	1.04394 Hartree
198	-	0	1.05095 Hartree
199	-	0	1.05866 Hartree
200	-	0	1.07624 Hartree
201	-	0	1.08268 Hartree
202	-	0	1.10309 Hartree
203	-	0	1.11090 Hartree
204	-	0	1.12322 Hartree
205	-	0	1.15333 Hartree
206	-	0	1.15905 Hartree
207	-	0	1.17164 Hartree
208	-	0	1.18214 Hartree
209	-	0	1.19593 Hartree
210	-	0	1.20979 Hartree
211	-	0	1.21995 Hartree
212	-	0	1.22608 Hartree
213	-	0	1.25309 Hartree
214	-	0	1.26113 Hartree
215	-	0	1.28715 Hartree
216	-	0	1.31815 Hartree
217	-	0	1.34080 Hartree
218	-	0	1.36983 Hartree
219	-	0	1.39675 Hartree
220	-	0	1.41860 Hartree
221	-	0	1.42294 Hartree
222	-	0	1.45418 Hartree
223	-	0	1.47400 Hartree
224	-	0	1.47506 Hartree
225	-	0	1.51064 Hartree
226	-	0	1.51658 Hartree
227	-	0	1.51759 Hartree
228	-	0	1.52055 Hartree
229	-	0	1.52750 Hartree
230	-	0	1.53295 Hartree
231	-	0	1.53578 Hartree
232	-	0	1.54880 Hartree
233	-	0	1.55505 Hartree
234	-	0	1.56996 Hartree
235	-	0	1.59026 Hartree
236	-	0	1.60422 Hartree
237	-	0	1.64173 Hartree
238	-	0	1.68496 Hartree
239	-	0	1.70121 Hartree
240	-	0	1.71437 Hartree
241	-	0	1.76964 Hartree
242	-	0	1.78544 Hartree
243	-	0	1.81071 Hartree
244	-	0	1.81828 Hartree
245	-	0	1.85038 Hartree
246	-	0	1.85581 Hartree
247	-	0	1.87346 Hartree
248	-	0	1.87767 Hartree
249	-	0	1.88243 Hartree
250	-	0	1.90017 Hartree
251	-	0	1.90436 Hartree
252	-	0	1.91258 Hartree
253	-	0	1.92365 Hartree
254	-	0	1.94527 Hartree
255	-	0	1.95273 Hartree
256	-	0	1.95944 Hartree
257	-	0	1.96215 Hartree
258	-	0	1.97604 Hartree
259	-	0	1.99699 Hartree
260	-	0	2.00605 Hartree
261	-	0	2.02736 Hartree
262	-	0	2.03758 Hartree
263	-	0	2.06674 Hartree
264	-	0	2.06859 Hartree
265	-	0	2.10695 Hartree
266	-	0	2.11756 Hartree
267	-	0	2.12972 Hartree
268	-	0	2.13917 Hartree
269	-	0	2.16495 Hartree
270	-	0	2.17145 Hartree
271	-	0	2.19050 Hartree
272	-	0	2.19289 Hartree
273	-	0	2.20077 Hartree
274	-	0	2.20825 Hartree
275	-	0	2.22820 Hartree
276	-	0	2.22889 Hartree
277	-	0	2.23746 Hartree
278	-	0	2.24157 Hartree
279	-	0	2.24630 Hartree
280	-	0	2.25669 Hartree
281	-	0	2.26224 Hartree
282	-	0	2.26798 Hartree
283	-	0	2.28378 Hartree
284	-	0	2.28778 Hartree
285	-	0	2.30704 Hartree
286	-	0	2.31632 Hartree
287	-	0	2.32255 Hartree
288	-	0	2.34364 Hartree
289	-	0	2.36251 Hartree
290	-	0	2.36762 Hartree
291	-	0	2.37576 Hartree
292	-	0	2.38024 Hartree
293	-	0	2.38433 Hartree
294	-	0	2.40666 Hartree
295	-	0	2.41312 Hartree
296	-	0	2.42168 Hartree
297	-	0	2.45581 Hartree
298	-	0	2.48918 Hartree
299	-	0	2.50105 Hartree
300	-	0	2.54728 Hartree
301	-	0	2.59298 Hartree
302	-	0	2.62489 Hartree
303	-	0	2.62653 Hartree
304	-	0	2.64247 Hartree
305	-	0	2.65296 Hartree
306	-	0	2.68403 Hartree
307	-	0	2.72714 Hartree
308	-	0	2.73491 Hartree
309	-	0	2.75583 Hartree
310	-	0	2.76956 Hartree
311	-	0	2.77429 Hartree
312	-	0	2.80502 Hartree
313	-	0	2.80622 Hartree
314	-	0	2.82389 Hartree
315	-	0	2.83413 Hartree
316	-	0	2.84198 Hartree
317	-	0	2.85690 Hartree
318	-	0	2.86119 Hartree
319	-	0	2.86712 Hartree
320	-	0	2.87570 Hartree
321	-	0	2.88511 Hartree
322	-	0	2.96518 Hartree
323	-	0	3.00038 Hartree
324	-	0	3.07967 Hartree
325	-	0	3.16075 Hartree
326	-	0	3.20251 Hartree
327	-	0	3.56998 Hartree
328	-	0	3.57759 Hartree
329	-	0	4.11601 Hartree
330	-	0	4.13742 Hartree
331	-	0	4.13861 Hartree
332	-	0	4.14083 Hartree
333	-	0	4.14741 Hartree
334	-	0	4.19470 Hartree
335	-	0	4.22220 Hartree
336	-	0	4.26256 Hartree
337	-	0	4.26929 Hartree
338	-	0	4.34697 Hartree
339	-	0	4.36238 Hartree
340	-	0	4.36584 Hartree
341	-	0	4.45879 Hartree
342	-	0	4.46498 Hartree
343	-	0	4.48684 Hartree
344	-	0	4.60596 Hartree
345	-	0	4.62524 Hartree
346	-	0	4.76769 Hartree
347	-	0	4.78536 Hartree
348	-	0	5.22725 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom	Symbol	Charge
1	C	-0.24333
2	C	-0.24385
3	C	-0.03465
4	C	-0.03468
5	C	-0.68291
6	H	0.23539
7	H	0.24021
8	H	0.23679
9	C	-0.67527
10	H	0.23243
11	H	0.23169
12	H	0.23295
13	C	-0.67632
14	H	0.23305
15	H	0.23252
16	H	0.23149
17	C	-0.68477
18	H	0.23484
19	H	0.24224
20	H	0.23630
21	C	-0.04179
22	C	-0.22814
23	C	-0.22402
24	C	-0.23817
25	C	-0.22494
26	C	-0.22521
27	H	0.22747
28	H	0.23245
29	H	0.23189
30	H	0.23213
31	H	0.23182
32	H	0.25403
33	C	-0.04142
34	C	-0.22709
35	C	-0.22534
36	C	-0.23698
37	C	-0.22601
38	C	-0.22454
39	H	0.22765
40	H	0.23252
41	H	0.23183
42	H	0.23246
43	H	0.23241
44	H	0.25286

Natural Atomic Orbitals

Display Range		- / 348
Orbital	Description	Occupancy	Energy	Actions
1	C1 Cor(1S)	1.999101082	-10.038341972 Hartree
2	C1 Val(2S)	0.949792756	-0.182177840 Hartree
3	C1 Ryd(3S)	0.001372483	1.918619605 Hartree
4	C1 Ryd(4S)	0.000024168	4.319997774 Hartree
5	C1 Val(2p)	1.045010346	-0.059692174 Hartree
6	C1 Ryd(3p)	0.003913481	0.873931924 Hartree
7	C1 Val(2p)	1.049439863	-0.065328053 Hartree
8	C1 Ryd(3p)	0.002789854	0.793854933 Hartree
9	C1 Val(2p)	1.182577130	-0.076523606 Hartree
10	C1 Ryd(3p)	0.005358775	1.082250370 Hartree
11	C1 Ryd(3d)	0.000917223	2.233898088 Hartree
12	C1 Ryd(3d)	0.000813497	2.266497472 Hartree
13	C1 Ryd(3d)	0.000520370	2.112213997 Hartree
14	C1 Ryd(3d)	0.000806341	2.316768410 Hartree
15	C1 Ryd(3d)	0.000889110	2.231664234 Hartree
16	C2 Cor(1S)	1.999096136	-10.036418235 Hartree
17	C2 Val(2S)	0.948530919	-0.180557810 Hartree
18	C2 Ryd(3S)	0.001399005	1.933009894 Hartree
19	C2 Ryd(4S)	0.000025094	4.324489458 Hartree
20	C2 Val(2p)	1.047559655	-0.059525335 Hartree
21	C2 Ryd(3p)	0.003756606	0.883634785 Hartree
22	C2 Val(2p)	1.049335621	-0.065833233 Hartree
23	C2 Ryd(3p)	0.002644205	0.792457467 Hartree
24	C2 Val(2p)	1.181778058	-0.076942384 Hartree
25	C2 Ryd(3p)	0.005736785	1.106984571 Hartree
26	C2 Ryd(3d)	0.000946463	2.241354377 Hartree
27	C2 Ryd(3d)	0.000819132	2.270715403 Hartree
28	C2 Ryd(3d)	0.000516180	2.116128082 Hartree
29	C2 Ryd(3d)	0.000813532	2.311527046 Hartree
30	C2 Ryd(3d)	0.000893138	2.235935157 Hartree
31	C3 Cor(1S)	1.999023166	-10.042450296 Hartree
32	C3 Val(2S)	0.897610876	-0.177102137 Hartree
33	C3 Ryd(3S)	0.001106933	1.961548876 Hartree
34	C3 Ryd(4S)	0.000021983	4.273658914 Hartree
35	C3 Val(2p)	1.045375190	-0.068095485 Hartree
36	C3 Ryd(3p)	0.003306808	0.931375295 Hartree
37	C3 Val(2p)	1.023662121	-0.067299473 Hartree
38	C3 Ryd(3p)	0.003487352	0.844632644 Hartree
39	C3 Val(2p)	1.053336768	-0.069433445 Hartree
40	C3 Ryd(3p)	0.003603404	1.022446321 Hartree
41	C3 Ryd(3d)	0.000722731	2.067937494 Hartree
42	C3 Ryd(3d)	0.000884181	2.290512809 Hartree
43	C3 Ryd(3d)	0.000749592	2.173714790 Hartree
44	C3 Ryd(3d)	0.001035803	2.325259670 Hartree
45	C3 Ryd(3d)	0.000720181	2.224812815 Hartree
46	C4 Cor(1S)	1.999018667	-10.043340431 Hartree
47	C4 Val(2S)	0.898464579	-0.177330690 Hartree
48	C4 Ryd(3S)	0.001092322	1.960314144 Hartree
49	C4 Ryd(4S)	0.000022886	4.283965869 Hartree
50	C4 Val(2p)	1.044802566	-0.068274206 Hartree
51	C4 Ryd(3p)	0.003281047	0.920451074 Hartree
52	C4 Val(2p)	1.022486832	-0.067011274 Hartree
53	C4 Ryd(3p)	0.003546923	0.854830485 Hartree
54	C4 Val(2p)	1.054194461	-0.070066722 Hartree
55	C4 Ryd(3p)	0.003622713	1.022717829 Hartree
56	C4 Ryd(3d)	0.000736015	2.064113216 Hartree
57	C4 Ryd(3d)	0.000871604	2.285996639 Hartree
58	C4 Ryd(3d)	0.000787486	2.192268808 Hartree
59	C4 Ryd(3d)	0.001034639	2.323389541 Hartree
60	C4 Ryd(3d)	0.000713189	2.209535380 Hartree
61	C5 Cor(1S)	1.999362009	-10.038276707 Hartree
62	C5 Val(2S)	1.092513206	-0.250521512 Hartree
63	C5 Ryd(3S)	0.000532784	1.449629412 Hartree
64	C5 Ryd(4S)	0.000014070	4.227518968 Hartree
65	C5 Val(2p)	1.161621504	-0.071358863 Hartree
66	C5 Ryd(3p)	0.002039921	0.707481095 Hartree
67	C5 Val(2p)	1.227331513	-0.078789374 Hartree
68	C5 Ryd(3p)	0.002033789	0.789370450 Hartree
69	C5 Val(2p)	1.191817659	-0.076608937 Hartree
70	C5 Ryd(3p)	0.002248336	0.706328556 Hartree
71	C5 Ryd(3d)	0.000215708	1.997700289 Hartree
72	C5 Ryd(3d)	0.000736971	2.200814349 Hartree
73	C5 Ryd(3d)	0.000752522	2.095685094 Hartree
74	C5 Ryd(3d)	0.001113480	2.197253251 Hartree
75	C5 Ryd(3d)	0.000578047	2.051599122 Hartree
76	H6 Val(1S)	0.763675136	0.081714061 Hartree
77	H6 Ryd(2S)	0.000935164	0.714679473 Hartree
78	H7 Val(1S)	0.758805906	0.086446021 Hartree
79	H7 Ryd(2S)	0.000984489	0.743220376 Hartree
80	H8 Val(1S)	0.762467269	0.083378649 Hartree
81	H8 Ryd(2S)	0.000747291	0.746505311 Hartree
82	C9 Cor(1S)	1.999362163	-10.040384655 Hartree
83	C9 Val(2S)	1.094128183	-0.252611035 Hartree
84	C9 Ryd(3S)	0.000469288	1.399016407 Hartree
85	C9 Ryd(4S)	0.000015237	4.236981885 Hartree
86	C9 Val(2p)	1.240234205	-0.082525852 Hartree
87	C9 Ryd(3p)	0.002351401	0.796225487 Hartree
88	C9 Val(2p)	1.204948306	-0.079245570 Hartree
89	C9 Ryd(3p)	0.001814262	0.694832958 Hartree
90	C9 Val(2p)	1.126775459	-0.068607987 Hartree
91	C9 Ryd(3p)	0.001770465	0.629812370 Hartree
92	C9 Ryd(3d)	0.000246148	1.981162021 Hartree
93	C9 Ryd(3d)	0.001026635	2.160411360 Hartree
94	C9 Ryd(3d)	0.000490072	2.112657277 Hartree
95	C9 Ryd(3d)	0.001049953	2.186466043 Hartree
96	C9 Ryd(3d)	0.000589461	2.102064833 Hartree
97	H10 Val(1S)	0.766804274	0.079605390 Hartree
98	H10 Ryd(2S)	0.000764016	0.734455903 Hartree
99	H11 Val(1S)	0.767325182	0.079752088 Hartree
100	H11 Ryd(2S)	0.000982079	0.724696912 Hartree
101	H12 Val(1S)	0.766018935	0.078340810 Hartree
102	H12 Ryd(2S)	0.001035480	0.697295917 Hartree
103	C13 Cor(1S)	1.999363247	-10.040445362 Hartree
104	C13 Val(2S)	1.093556337	-0.252378640 Hartree
105	C13 Ryd(3S)	0.000480240	1.391908834 Hartree
106	C13 Ryd(4S)	0.000015637	4.239585949 Hartree
107	C13 Val(2p)	1.239209584	-0.082447960 Hartree
108	C13 Ryd(3p)	0.002312696	0.785514959 Hartree
109	C13 Val(2p)	1.210886439	-0.079854242 Hartree
110	C13 Ryd(3p)	0.001829336	0.710710479 Hartree
111	C13 Val(2p)	1.123525329	-0.068376624 Hartree
112	C13 Ryd(3p)	0.001739826	0.624950458 Hartree
113	C13 Ryd(3d)	0.000202481	1.976568082 Hartree
114	C13 Ryd(3d)	0.001046745	2.173210831 Hartree
115	C13 Ryd(3d)	0.000433985	2.083746128 Hartree
116	C13 Ryd(3d)	0.001100556	2.188208048 Hartree
117	C13 Ryd(3d)	0.000621554	2.120380508 Hartree
118	H14 Val(1S)	0.765911949	0.078521447 Hartree
119	H14 Ryd(2S)	0.001033724	0.692093776 Hartree
120	H15 Val(1S)	0.766704746	0.081107034 Hartree
121	H15 Ryd(2S)	0.000776768	0.729643554 Hartree
122	H16 Val(1S)	0.767544692	0.079385026 Hartree
123	H16 Ryd(2S)	0.000969027	0.739602809 Hartree
124	C17 Cor(1S)	1.999366656	-10.038082415 Hartree
125	C17 Val(2S)	1.094037706	-0.251220329 Hartree
126	C17 Ryd(3S)	0.000549557	1.473717378 Hartree
127	C17 Ryd(4S)	0.000013682	4.226024369 Hartree
128	C17 Val(2p)	1.157737854	-0.070412688 Hartree
129	C17 Ryd(3p)	0.002071837	0.705020306 Hartree
130	C17 Val(2p)	1.228958640	-0.078996497 Hartree
131	C17 Ryd(3p)	0.001918122	0.803554805 Hartree
132	C17 Val(2p)	1.194389779	-0.076423447 Hartree
133	C17 Ryd(3p)	0.002317010	0.715621343 Hartree
134	C17 Ryd(3d)	0.000204788	1.987007241 Hartree
135	C17 Ryd(3d)	0.000720863	2.194720638 Hartree
136	C17 Ryd(3d)	0.000644297	2.062180336 Hartree
137	C17 Ryd(3d)	0.001159862	2.218387915 Hartree
138	C17 Ryd(3d)	0.000678335	2.080762445 Hartree
139	H18 Val(1S)	0.764236188	0.081118857 Hartree
140	H18 Ryd(2S)	0.000927427	0.716318024 Hartree
141	H19 Val(1S)	0.756792798	0.088730268 Hartree
142	H19 Ryd(2S)	0.000964316	0.748606410 Hartree
143	H20 Val(1S)	0.762955647	0.083387858 Hartree
144	H20 Ryd(2S)	0.000746886	0.750504714 Hartree
145	C21 Cor(1S)	1.998910410	-10.005490437 Hartree
146	C21 Val(2S)	0.845525758	-0.077793002 Hartree
147	C21 Ryd(3S)	0.001311194	1.174221213 Hartree
148	C21 Ryd(4S)	0.000080475	4.299591004 Hartree
149	C21 Val(2p)	1.077056640	-0.028731272 Hartree
150	C21 Ryd(3p)	0.004944521	1.190235662 Hartree
151	C21 Val(2p)	1.041138150	-0.052498713 Hartree
152	C21 Ryd(3p)	0.004242791	1.005419141 Hartree
153	C21 Val(2p)	1.060814245	-0.047537545 Hartree
154	C21 Ryd(3p)	0.004723762	0.938201047 Hartree
155	C21 Ryd(3d)	0.000586705	2.310124558 Hartree
156	C21 Ryd(3d)	0.000655233	2.402529111 Hartree
157	C21 Ryd(3d)	0.000456449	2.441044090 Hartree
158	C21 Ryd(3d)	0.000717932	2.321142183 Hartree
159	C21 Ryd(3d)	0.000625663	2.149962363 Hartree
160	C22 Cor(1S)	1.998857511	-10.004273759 Hartree
161	C22 Val(2S)	0.917762505	-0.108623811 Hartree
162	C22 Ryd(3S)	0.000819703	1.400714002 Hartree
163	C22 Ryd(4S)	0.000070431	3.860886115 Hartree
164	C22 Val(2p)	1.158819781	-0.043921891 Hartree
165	C22 Ryd(3p)	0.004316428	1.081181286 Hartree
166	C22 Val(2p)	1.050011765	-0.050699668 Hartree
167	C22 Ryd(3p)	0.002308379	0.750294695 Hartree
168	C22 Val(2p)	1.088913020	-0.051533630 Hartree
169	C22 Ryd(3p)	0.003365956	0.839771774 Hartree
170	C22 Ryd(3d)	0.000532267	2.251201198 Hartree
171	C22 Ryd(3d)	0.000754295	2.225586842 Hartree
172	C22 Ryd(3d)	0.000416371	2.437503714 Hartree
173	C22 Ryd(3d)	0.000657133	2.239268681 Hartree
174	C22 Ryd(3d)	0.000530625	2.113196714 Hartree
175	C23 Cor(1S)	1.998934925	-10.010234134 Hartree
176	C23 Val(2S)	0.930271885	-0.122205065 Hartree
177	C23 Ryd(3S)	0.000871176	1.407590565 Hartree
178	C23 Ryd(4S)	0.000048541	3.823343598 Hartree
179	C23 Val(2p)	1.073354848	-0.017066710 Hartree
180	C23 Ryd(3p)	0.005069566	0.707658519 Hartree
181	C23 Val(2p)	1.090939654	-0.065890338 Hartree
182	C23 Ryd(3p)	0.003149149	0.870993956 Hartree
183	C23 Val(2p)	1.114634955	-0.062131375 Hartree
184	C23 Ryd(3p)	0.003817953	0.932237028 Hartree
185	C23 Ryd(3d)	0.000583210	2.260563007 Hartree
186	C23 Ryd(3d)	0.000601465	2.295001151 Hartree
187	C23 Ryd(3d)	0.000689450	2.214426492 Hartree
188	C23 Ryd(3d)	0.000541675	2.297967123 Hartree
189	C23 Ryd(3d)	0.000515770	2.021781794 Hartree
190	C24 Cor(1S)	1.998912015	-10.009373197 Hartree
191	C24 Val(2S)	0.932926931	-0.123520870 Hartree
192	C24 Ryd(3S)	0.000793352	1.389440871 Hartree
193	C24 Ryd(4S)	0.000041475	3.830581495 Hartree
194	C24 Val(2p)	1.164786245	-0.042870948 Hartree
195	C24 Ryd(3p)	0.005264462	1.027457760 Hartree
196	C24 Val(2p)	1.069676293	-0.061022602 Hartree
197	C24 Ryd(3p)	0.003005597	0.774615468 Hartree
198	C24 Val(2p)	1.056369638	-0.044216985 Hartree
199	C24 Ryd(3p)	0.003480106	0.691671416 Hartree
200	C24 Ryd(3d)	0.000700484	2.130218130 Hartree
201	C24 Ryd(3d)	0.000564148	2.266062183 Hartree
202	C24 Ryd(3d)	0.000434663	2.394363901 Hartree
203	C24 Ryd(3d)	0.000595787	2.178817602 Hartree
204	C24 Ryd(3d)	0.000623254	2.110327524 Hartree
205	C25 Cor(1S)	1.998911442	-10.010189822 Hartree
206	C25 Val(2S)	0.930079357	-0.122058435 Hartree
207	C25 Ryd(3S)	0.000893073	1.396126501 Hartree
208	C25 Ryd(4S)	0.000045621	3.830582442 Hartree
209	C25 Val(2p)	1.155827894	-0.040344278 Hartree
210	C25 Ryd(3p)	0.005399869	1.002855146 Hartree
211	C25 Val(2p)	1.037522123	-0.054517274 Hartree
212	C25 Ryd(3p)	0.002733114	0.676251816 Hartree
213	C25 Val(2p)	1.086666314	-0.053234599 Hartree
214	C25 Ryd(3p)	0.003905796	0.822224954 Hartree
215	C25 Ryd(3d)	0.000520494	2.213743373 Hartree
216	C25 Ryd(3d)	0.000761363	2.206349432 Hartree
217	C25 Ryd(3d)	0.000425559	2.385731401 Hartree
218	C25 Ryd(3d)	0.000679951	2.212757127 Hartree
219	C25 Ryd(3d)	0.000563331	2.076557730 Hartree
220	C26 Cor(1S)	1.998879680	-10.004215183 Hartree
221	C26 Val(2S)	0.917079354	-0.110042420 Hartree
222	C26 Ryd(3S)	0.000995270	1.303223427 Hartree
223	C26 Ryd(4S)	0.000082603	4.041735951 Hartree
224	C26 Val(2p)	1.076831920	-0.019311126 Hartree
225	C26 Ryd(3p)	0.003657872	0.779133768 Hartree
226	C26 Val(2p)	1.091258284	-0.069780484 Hartree
227	C26 Ryd(3p)	0.003011074	0.935973000 Hartree
228	C26 Val(2p)	1.126809617	-0.060273325 Hartree
229	C26 Ryd(3p)	0.003707844	0.978834709 Hartree
230	C26 Ryd(3d)	0.000557760	2.283964029 Hartree
231	C26 Ryd(3d)	0.000586090	2.337307904 Hartree
232	C26 Ryd(3d)	0.000688617	2.252257071 Hartree
233	C26 Ryd(3d)	0.000536383	2.309045580 Hartree
234	C26 Ryd(3d)	0.000528191	2.069622107 Hartree
235	H27 Val(1S)	0.771398898	0.086327756 Hartree
236	H27 Ryd(2S)	0.001132427	0.684766081 Hartree
237	H28 Val(1S)	0.766540811	0.084371680 Hartree
238	H28 Ryd(2S)	0.001013006	0.582658175 Hartree
239	H29 Val(1S)	0.767132527	0.085214272 Hartree
240	H29 Ryd(2S)	0.000973338	0.584874848 Hartree
241	H30 Val(1S)	0.766853584	0.087064764 Hartree
242	H30 Ryd(2S)	0.001018120	0.585026475 Hartree
243	H31 Val(1S)	0.767013250	0.088625831 Hartree
244	H31 Ryd(2S)	0.001167798	0.661054130 Hartree
245	H32 Val(1S)	0.744267216	0.083411101 Hartree
246	H32 Ryd(2S)	0.001697942	0.756188958 Hartree
247	C33 Cor(1S)	1.998905960	-10.007280632 Hartree
248	C33 Val(2S)	0.846728728	-0.079447088 Hartree
249	C33 Ryd(3S)	0.001156101	1.154593867 Hartree
250	C33 Ryd(4S)	0.000078133	4.269170538 Hartree
251	C33 Val(2p)	1.080252429	-0.026653856 Hartree
252	C33 Ryd(3p)	0.004964952	1.203001849 Hartree
253	C33 Val(2p)	1.052268321	-0.048430612 Hartree
254	C33 Ryd(3p)	0.004433753	1.023964887 Hartree
255	C33 Val(2p)	1.045264984	-0.053786965 Hartree
256	C33 Ryd(3p)	0.004332933	0.896193917 Hartree
257	C33 Ryd(3d)	0.000609410	2.322445168 Hartree
258	C33 Ryd(3d)	0.000645416	2.342997510 Hartree
259	C33 Ryd(3d)	0.000446422	2.445317607 Hartree
260	C33 Ryd(3d)	0.000727980	2.371116420 Hartree
261	C33 Ryd(3d)	0.000599692	2.126269527 Hartree
262	C34 Cor(1S)	1.998874352	-10.004665203 Hartree
263	C34 Val(2S)	0.918682237	-0.109914448 Hartree
264	C34 Ryd(3S)	0.000831510	1.378168707 Hartree
265	C34 Ryd(4S)	0.000071681	3.880976479 Hartree
266	C34 Val(2p)	1.168359847	-0.043314332 Hartree
267	C34 Ryd(3p)	0.004514376	1.113702711 Hartree
268	C34 Val(2p)	1.059248667	-0.044281227 Hartree
269	C34 Ryd(3p)	0.002630756	0.777557404 Hartree
270	C34 Val(2p)	1.068157856	-0.058025045 Hartree
271	C34 Ryd(3p)	0.002820679	0.793376836 Hartree
272	C34 Ryd(3d)	0.000581202	2.279525605 Hartree
273	C34 Ryd(3d)	0.000692117	2.165803575 Hartree
274	C34 Ryd(3d)	0.000416335	2.448926743 Hartree
275	C34 Ryd(3d)	0.000686289	2.276560909 Hartree
276	C34 Ryd(3d)	0.000517644	2.082496895 Hartree
277	C35 Cor(1S)	1.998927856	-10.009859677 Hartree
278	C35 Val(2S)	0.930307415	-0.121851055 Hartree
279	C35 Ryd(3S)	0.000883704	1.407200275 Hartree
280	C35 Ryd(4S)	0.000047716	3.823203905 Hartree
281	C35 Val(2p)	1.076066711	-0.015368675 Hartree
282	C35 Ryd(3p)	0.005219625	0.708289873 Hartree
283	C35 Val(2p)	1.109996725	-0.062738849 Hartree
284	C35 Ryd(3p)	0.003626827	0.920301280 Hartree
285	C35 Val(2p)	1.094147928	-0.067065403 Hartree
286	C35 Ryd(3p)	0.003187818	0.880141473 Hartree
287	C35 Ryd(3d)	0.000605740	2.281825687 Hartree
288	C35 Ryd(3d)	0.000604534	2.246023605 Hartree
289	C35 Ryd(3d)	0.000678501	2.225559391 Hartree
290	C35 Ryd(3d)	0.000574127	2.326463853 Hartree
291	C35 Ryd(3d)	0.000467053	2.012852856 Hartree
292	C36 Cor(1S)	1.998909469	-10.009419771 Hartree
293	C36 Val(2S)	0.933095399	-0.123701139 Hartree
294	C36 Ryd(3S)	0.000792025	1.391817171 Hartree
295	C36 Ryd(4S)	0.000041130	3.828271396 Hartree
296	C36 Val(2p)	1.164485093	-0.040493704 Hartree
297	C36 Ryd(3p)	0.005386066	1.020660354 Hartree
298	C36 Val(2p)	1.076846210	-0.055255850 Hartree
299	C36 Ryd(3p)	0.003399289	0.786240500 Hartree
300	C36 Val(2p)	1.048112778	-0.052645484 Hartree
301	C36 Ryd(3p)	0.002984938	0.685442324 Hartree
302	C36 Ryd(3d)	0.000723542	2.172211761 Hartree
303	C36 Ryd(3d)	0.000557558	2.201900145 Hartree
304	C36 Ryd(3d)	0.000419789	2.405992493 Hartree
305	C36 Ryd(3d)	0.000617979	2.227859561 Hartree
306	C36 Ryd(3d)	0.000605578	2.070792887 Hartree
307	C37 Cor(1S)	1.998918643	-10.010662135 Hartree
308	C37 Val(2S)	0.930604023	-0.122816784 Hartree
309	C37 Ryd(3S)	0.000883506	1.389663777 Hartree
310	C37 Ryd(4S)	0.000046375	3.836946877 Hartree
311	C37 Val(2p)	1.165674173	-0.040553747 Hartree
312	C37 Ryd(3p)	0.005544849	1.039057318 Hartree
313	C37 Val(2p)	1.047352767	-0.048823765 Hartree
314	C37 Ryd(3p)	0.003183573	0.691839851 Hartree
315	C37 Val(2p)	1.067575505	-0.058560297 Hartree
316	C37 Ryd(3p)	0.003280931	0.772858924 Hartree
317	C37 Ryd(3d)	0.000554648	2.235129606 Hartree
318	C37 Ryd(3d)	0.000703722	2.151721028 Hartree
319	C37 Ryd(3d)	0.000424636	2.409802784 Hartree
320	C37 Ryd(3d)	0.000710680	2.241997919 Hartree
321	C37 Ryd(3d)	0.000547707	2.050978540 Hartree
322	C38 Cor(1S)	1.998879706	-10.005329809 Hartree
323	C38 Val(2S)	0.917796897	-0.110890344 Hartree
324	C38 Ryd(3S)	0.000986230	1.310500619 Hartree
325	C38 Ryd(4S)	0.000080622	4.013774953 Hartree
326	C38 Val(2p)	1.079011231	-0.017020410 Hartree
327	C38 Ryd(3p)	0.003753758	0.774897082 Hartree
328	C38 Val(2p)	1.108495551	-0.066567732 Hartree
329	C38 Ryd(3p)	0.003442253	0.981046411 Hartree
330	C38 Val(2p)	1.106040736	-0.065966288 Hartree
331	C38 Ryd(3p)	0.003153865	0.924541551 Hartree
332	C38 Ryd(3d)	0.000586450	2.308419134 Hartree
333	C38 Ryd(3d)	0.000585552	2.286141188 Hartree
334	C38 Ryd(3d)	0.000689088	2.262627318 Hartree
335	C38 Ryd(3d)	0.000572731	2.336169794 Hartree
336	C38 Ryd(3d)	0.000469725	2.048025444 Hartree
337	H39 Val(1S)	0.771213429	0.085093177 Hartree
338	H39 Ryd(2S)	0.001133987	0.675387252 Hartree
339	H40 Val(1S)	0.766467356	0.084929769 Hartree
340	H40 Ryd(2S)	0.001008331	0.583165812 Hartree
341	H41 Val(1S)	0.767202225	0.084564730 Hartree
342	H41 Ryd(2S)	0.000971906	0.585006215 Hartree
343	H42 Val(1S)	0.766527376	0.086782687 Hartree
344	H42 Ryd(2S)	0.001016049	0.584956955 Hartree
345	H43 Val(1S)	0.766389659	0.090199904 Hartree
346	H43 Ryd(2S)	0.001197730	0.668136424 Hartree
347	H44 Val(1S)	0.745479029	0.082739228 Hartree
348	H44 Ryd(2S)	0.001658193	0.760995816 Hartree

Natural Hybrid Orbitals

Display Range		- / 348
Orbital	Description	Occupancy	Energy	Actions
1	BD(1)C1(C2) 1s(24.19%)p3.13(75.76%)d0.00(0.05%)	0.993100841	-0.082981381 Hartree
2	BD(1)C2(C1) 2s(24.63%)p3.06(75.33%)d0.00(0.05%)	0.994121755	-0.085170273 Hartree
3	BD(1)C1(C4) 1s(24.48%)p3.08(75.48%)d0.00(0.05%)	1.003197027	-0.083363722 Hartree
4	BD(1)C4(C1) 4s(23.12%)p3.32(76.82%)d0.00(0.06%)	0.985780099	-0.084954771 Hartree
5	BD(1)C1(C33) 1s(28.43%)p2.52(71.53%)d0.00(0.04%)	0.992990232	-0.073050692 Hartree
6	BD(1)C33(C1) 33s(30.72%)p2.25(69.25%)d0.00(0.02%)	1.011602851	-0.074860590 Hartree
7	BD(1)C1(H44) 1s(22.86%)p3.37(77.08%)d0.00(0.06%)	1.241037046	-0.133201687 Hartree
8	BD(1)H44(C1) 44s(100.00%)	0.745471136	0.084580984 Hartree
9	BD(1)C2(C3) 2s(24.07%)p3.15(75.88%)d0.00(0.05%)	1.001480949	-0.081758231 Hartree
10	BD(1)C3(C2) 3s(23.03%)p3.34(76.92%)d0.00(0.06%)	0.985479080	-0.083531639 Hartree
11	BD(1)C2(C21) 2s(28.37%)p2.52(71.58%)d0.00(0.04%)	0.992402453	-0.071094249 Hartree
12	BD(1)C21(C2) 21s(30.68%)p2.26(69.30%)d0.00(0.02%)	1.012345541	-0.073523254 Hartree
13	BD(1)C2(H32) 2s(22.89%)p3.37(77.05%)d0.00(0.06%)	1.242687186	-0.133467661 Hartree
14	BD(1)H32(C2) 32s(100.00%)	0.744258660	0.085330716 Hartree
15	BD(1)C3(C4) 3s(24.61%)p3.06(75.33%)d0.00(0.05%)	0.998814194	-0.084345043 Hartree
16	BD(1)C4(C3) 4s(24.35%)p3.11(75.60%)d0.00(0.05%)	0.996702011	-0.083531295 Hartree
17	BD(1)C3(C13) 3s(26.15%)p2.82(73.80%)d0.00(0.04%)	1.018113266	-0.105023091 Hartree
18	BD(1)C13(C3) 13s(29.65%)p2.37(70.31%)d0.00(0.04%)	0.984304944	-0.087165281 Hartree
19	BD(1)C3(C17) 3s(26.13%)p2.83(73.83%)d0.00(0.04%)	1.020892752	-0.104811571 Hartree
20	BD(1)C17(C3) 17s(28.96%)p2.45(71.00%)d0.00(0.04%)	0.978105973	-0.085397137 Hartree
21	BD(1)C4(C5) 4s(26.31%)p2.80(73.65%)d0.00(0.04%)	1.021861226	-0.105151414 Hartree
22	BD(1)C5(C4) 5s(29.04%)p2.44(70.91%)d0.00(0.04%)	0.977405945	-0.084557342 Hartree
23	BD(1)C4(C9) 4s(26.15%)p2.82(73.81%)d0.00(0.04%)	1.019023082	-0.104968695 Hartree
24	BD(1)C9(C4) 9s(29.49%)p2.39(70.47%)d0.00(0.04%)	0.983478270	-0.086330988 Hartree
25	BD(1)C5(H6) 5s(23.36%)p3.28(76.58%)d0.00(0.06%)	1.231097541	-0.125847999 Hartree
26	BD(1)H6(C5) 6s(100.00%)	0.763674423	0.082264981 Hartree
27	BD(1)C5(H7) 5s(23.67%)p3.22(76.27%)d0.00(0.06%)	1.236103867	-0.125200411 Hartree
28	BD(1)H7(C5) 7s(100.00%)	0.758804822	0.087127449 Hartree
29	BD(1)C5(H8) 5s(23.87%)p3.19(76.07%)d0.00(0.06%)	1.232992497	-0.127852487 Hartree
30	BD(1)H8(C5) 8s(100.00%)	0.762466814	0.083818436 Hartree
31	BD(1)C9(H10) 9s(23.98%)p3.17(75.96%)d0.00(0.06%)	1.229767148	-0.129340664 Hartree
32	BD(1)H10(C9) 10s(100.00%)	0.766803870	0.080016101 Hartree
33	BD(1)C9(H11) 9s(23.29%)p3.29(76.64%)d0.00(0.06%)	1.227428805	-0.125526965 Hartree
34	BD(1)H11(C9) 11s(100.00%)	0.767324500	0.080287858 Hartree
35	BD(1)C9(H12) 9s(23.18%)p3.31(76.76%)d0.00(0.06%)	1.229550719	-0.128144734 Hartree
36	BD(1)H12(C9) 12s(100.00%)	0.766017972	0.078976289 Hartree
37	BD(1)C13(H14) 13s(23.21%)p3.31(76.72%)d0.00(0.06%)	1.230277876	-0.128506453 Hartree
38	BD(1)H14(C13) 14s(100.00%)	0.765910888	0.079188079 Hartree
39	BD(1)C13(H15) 13s(23.84%)p3.19(76.09%)d0.00(0.06%)	1.230104963	-0.128400048 Hartree
40	BD(1)H15(C13) 15s(100.00%)	0.766704370	0.081504286 Hartree
41	BD(1)C13(H16) 13s(23.24%)p3.30(76.70%)d0.00(0.07%)	1.226567477	-0.125362323 Hartree
42	BD(1)H16(C13) 16s(100.00%)	0.767544057	0.079901191 Hartree
43	BD(1)C17(H18) 17s(23.19%)p3.31(76.74%)d0.00(0.06%)	1.230435730	-0.125152524 Hartree
44	BD(1)H18(C17) 18s(100.00%)	0.764235507	0.081656206 Hartree
45	BD(1)C17(H19) 17s(23.78%)p3.20(76.16%)d0.00(0.06%)	1.237965912	-0.124708171 Hartree
46	BD(1)H19(C17) 19s(100.00%)	0.756791714	0.089413059 Hartree
47	BD(1)C17(H20) 17s(24.00%)p3.16(75.93%)d0.00(0.06%)	1.232971548	-0.128111975 Hartree
48	BD(1)H20(C17) 20s(100.00%)	0.762955165	0.083839486 Hartree
49	BD(1)C21(C22) 21s(34.96%)p1.86(65.00%)d0.00(0.03%)	1.014895727	-0.023595654 Hartree
50	BD(1)C22(C21) 22s(36.35%)p1.75(63.61%)d0.00(0.04%)	0.981207485	-0.002697661 Hartree
51	BD(2)C21(C22) 21s(0.01%)p1.00(99.94%)d0.00(0.05%)	0.987321864	-0.078893663 Hartree
52	BD(2)C22(C21) 22s(0.00%)p1.00(99.95%)d0.00(0.05%)	1.008958435	-0.086999747 Hartree
53	BD(1)C21(C26) 21s(34.33%)p1.91(65.63%)d0.00(0.04%)	1.012544874	-0.024064139 Hartree
54	BD(1)C26(C21) 26s(36.36%)p1.75(63.60%)d0.00(0.04%)	0.980915289	-0.007144149 Hartree
55	BD(1)C22(C23) 22s(36.14%)p1.77(63.83%)d0.00(0.04%)	1.001441466	-0.017239498 Hartree
56	BD(1)C23(C22) 23s(36.32%)p1.75(63.64%)d0.00(0.04%)	0.991139237	-0.012246187 Hartree
57	BD(1)C22(H31) 22s(27.49%)p2.64(72.47%)d0.00(0.04%)	1.228067427	-0.127540418 Hartree
58	BD(1)H31(C22) 31s(100.00%)	0.767009347	0.089810021 Hartree
59	BD(1)C23(C24) 23s(36.10%)p1.77(63.86%)d0.00(0.04%)	0.997643184	-0.017404551 Hartree
60	BD(1)C24(C23) 24s(36.13%)p1.77(63.83%)d0.00(0.04%)	0.997508601	-0.016083704 Hartree
61	BD(2)C23(C24) 23s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.996858113	-0.086877879 Hartree
62	BD(2)C24(C23) 24s(0.00%)p1.00(99.95%)d0.00(0.05%)	1.006299085	-0.087219476 Hartree
63	BD(1)C23(H30) 23s(27.57%)p2.63(72.38%)d0.00(0.04%)	1.228882010	-0.129104412 Hartree
64	BD(1)H30(C23) 30s(100.00%)	0.766851110	0.088003524 Hartree
65	BD(1)C24(C25) 24s(36.04%)p1.77(63.92%)d0.00(0.04%)	0.996196611	-0.015397537 Hartree
66	BD(1)C25(C24) 25s(36.07%)p1.77(63.89%)d0.00(0.04%)	0.998861554	-0.017861296 Hartree
67	BD(1)C24(H29) 24s(27.82%)p2.59(72.14%)d0.00(0.04%)	1.229243174	-0.131182981 Hartree
68	BD(1)H29(C24) 29s(100.00%)	0.767130112	0.086139502 Hartree
69	BD(1)C25(C26) 25s(36.20%)p1.76(63.76%)d0.00(0.04%)	0.991632232	-0.011347883 Hartree
70	BD(1)C26(C25) 26s(36.43%)p1.74(63.53%)d0.00(0.04%)	1.001566698	-0.018362964 Hartree
71	BD(2)C25(C26) 25s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.995605478	-0.087005528 Hartree
72	BD(2)C26(C25) 26s(0.00%)p1.00(99.95%)d0.00(0.05%)	1.009464269	-0.088086019 Hartree
73	BD(1)C25(H28) 25s(27.72%)p2.61(72.24%)d0.00(0.04%)	1.229368230	-0.131967374 Hartree
74	BD(1)H28(C25) 28s(100.00%)	0.766538321	0.085309339 Hartree
75	BD(1)C26(H27) 26s(27.18%)p2.68(72.78%)d0.00(0.04%)	1.224225132	-0.126199313 Hartree
76	BD(1)H27(C26) 27s(100.00%)	0.771394724	0.087552650 Hartree
77	BD(1)C33(C34) 33s(34.74%)p1.88(65.23%)d0.00(0.04%)	1.013897827	-0.023244938 Hartree
78	BD(1)C34(C33) 34s(36.35%)p1.75(63.61%)d0.00(0.04%)	0.981787937	-0.004947291 Hartree
79	BD(2)C33(C34) 33s(0.01%)p1.00(99.94%)d0.00(0.05%)	0.988986142	-0.079331499 Hartree
80	BD(2)C34(C33) 34s(0.00%)p1.00(99.95%)d0.00(0.05%)	1.007356066	-0.086900526 Hartree
81	BD(1)C33(C38) 33s(34.51%)p1.90(65.45%)d0.00(0.04%)	1.012548723	-0.024309502 Hartree
82	BD(1)C38(C33) 38s(36.42%)p1.74(63.54%)d0.00(0.04%)	0.981609072	-0.007189429 Hartree
83	BD(1)C34(C35) 34s(36.25%)p1.76(63.71%)d0.00(0.04%)	1.001139423	-0.017454917 Hartree
84	BD(1)C35(C34) 35s(36.24%)p1.76(63.72%)d0.00(0.04%)	0.991511090	-0.012130310 Hartree
85	BD(1)C34(H43) 34s(27.38%)p2.65(72.58%)d0.00(0.04%)	1.228313316	-0.126059479 Hartree
86	BD(1)H43(C34) 43s(100.00%)	0.766385852	0.091374487 Hartree
87	BD(1)C35(C36) 35s(36.10%)p1.77(63.86%)d0.00(0.04%)	0.997798985	-0.016712145 Hartree
88	BD(1)C36(C35) 36s(36.16%)p1.76(63.79%)d0.00(0.04%)	0.997505234	-0.015538490 Hartree
89	BD(2)C35(C36) 35s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.997296477	-0.086680147 Hartree
90	BD(2)C36(C35) 36s(0.00%)p1.00(99.95%)d0.00(0.05%)	1.004762016	-0.087111734 Hartree
91	BD(1)C35(H42) 35s(27.65%)p2.61(72.30%)d0.00(0.04%)	1.229261158	-0.129718130 Hartree
92	BD(1)H42(C35) 42s(100.00%)	0.766524885	0.087723939 Hartree
93	BD(1)C36(C37) 36s(36.01%)p1.78(63.95%)d0.00(0.04%)	0.996535111	-0.016011323 Hartree
94	BD(1)C37(C36) 37s(36.00%)p1.78(63.96%)d0.00(0.04%)	0.998452185	-0.017984316 Hartree
95	BD(1)C36(H41) 36s(27.81%)p2.59(72.14%)d0.00(0.04%)	1.229249879	-0.131614815 Hartree
96	BD(1)H41(C36) 41s(100.00%)	0.767199794	0.085491806 Hartree
97	BD(1)C37(C38) 37s(36.28%)p1.76(63.68%)d0.00(0.04%)	0.991739259	-0.012484637 Hartree
98	BD(1)C38(C37) 38s(36.47%)p1.74(63.49%)d0.00(0.04%)	1.001487093	-0.018868638 Hartree
99	BD(2)C37(C38) 37s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.997078219	-0.087053429 Hartree
100	BD(2)C38(C37) 38s(0.00%)p1.00(99.95%)d0.00(0.05%)	1.008066283	-0.087862624 Hartree
101	BD(1)C37(H40) 37s(27.70%)p2.61(72.25%)d0.00(0.04%)	1.229279664	-0.131382726 Hartree
102	BD(1)H40(C37) 40s(100.00%)	0.766464924	0.085857875 Hartree
103	BD(1)C38(H39) 38s(27.09%)p2.69(72.87%)d0.00(0.04%)	1.224394133	-0.126719913 Hartree
104	BD(1)H39(C38) 39s(100.00%)	0.771209237	0.086321698 Hartree
105	CR(1)C1 s(100.00%)p0.00(0.00%)	1.999101926	-10.038228429 Hartree
106	CR(1)C2 s(100.00%)p0.00(0.00%)	1.999097271	-10.036307918 Hartree
107	CR(1)C3 s(100.00%)p0.00(0.00%)	1.999024681	-10.042313360 Hartree
108	CR(1)C4 s(100.00%)p0.00(0.00%)	1.999020141	-10.043219523 Hartree
109	CR(1)C5 s(100.00%)p0.00(0.00%)	1.999364311	-10.038079780 Hartree
110	CR(1)C9 s(100.00%)p0.00(0.00%)	1.999364464	-10.040199139 Hartree
111	CR(1)C13 s(100.00%)p0.00(0.00%)	1.999365349	-10.040258439 Hartree
112	CR(1)C17 s(100.00%)p0.00(0.00%)	1.999368839	-10.037876946 Hartree
113	CR(1)C21 s(100.00%)	1.998909241	-10.005834041 Hartree
114	CR(1)C22 s(100.00%)p0.00(0.00%)	1.998863325	-10.004706970 Hartree
115	CR(1)C23 s(100.00%)p0.00(0.00%)	1.998940269	-10.010633798 Hartree
116	CR(1)C24 s(100.00%)p0.00(0.00%)	1.998917244	-10.009806010 Hartree
117	CR(1)C25 s(100.00%)p0.00(0.00%)	1.998917010	-10.010605968 Hartree
118	CR(1)C26 s(100.00%)p0.00(0.00%)	1.998885784	-10.004598559 Hartree
119	CR(1)C33 s(100.00%)	1.998904852	-10.007623201 Hartree
120	CR(1)C34 s(100.00%)p0.00(0.00%)	1.998879944	-10.005087788 Hartree
121	CR(1)C35 s(100.00%)p0.00(0.00%)	1.998933315	-10.010265222 Hartree
122	CR(1)C36 s(100.00%)p0.00(0.00%)	1.998914784	-10.009853212 Hartree
123	CR(1)C37 s(100.00%)p0.00(0.00%)	1.998924108	-10.011075247 Hartree
124	CR(1)C38 s(100.00%)p0.00(0.00%)	1.998885619	-10.005718979 Hartree
125	RY*(1)C1 s(0.62%)p99.99(95.95%)d5.48(3.43%)	0.005863501	1.086475371 Hartree
126	RY*(2)C1 s(1.68%)p54.64(91.72%)d3.93(6.60%)	0.004120150	1.090403714 Hartree
127	RY*(3)C1 s(2.47%)p28.77(71.01%)d10.74(26.52%)	0.001913248	1.133476440 Hartree
128	RY*(4)C1 s(71.50%)p0.23(16.51%)d0.17(11.99%)	0.001070181	1.638232155 Hartree
129	RY*(5)C1 s(17.59%)p0.31(5.38%)d4.38(77.03%)	0.000362119	2.221938865 Hartree
130	RY*(6)C1 s(1.62%)p2.75(4.46%)d58.04(93.93%)	0.000304509	2.081777486 Hartree
131	RY*(7)C1 s(4.20%)p1.94(8.15%)d20.85(87.64%)	0.000151483	2.094675930 Hartree
132	RY*(8)C1 s(0.41%)p10.67(4.42%)d99.99(95.17%)	0.000064015	2.235770817 Hartree
133	RY*(9)C1 s(6.89%)p0.34(2.35%)d13.17(90.76%)	0.000032363	2.410007324 Hartree
134	RY*(10)C1 s(93.05%)p0.00(0.22%)d0.07(6.73%)	0.000017838	4.145700970 Hartree
135	RY*(1)C2 s(0.61%)p99.99(95.80%)d5.88(3.59%)	0.006120173	1.132731484 Hartree
136	RY*(2)C2 s(1.78%)p51.22(91.26%)d3.91(6.96%)	0.003938984	1.077249848 Hartree
137	RY*(3)C2 s(1.38%)p53.07(73.22%)d18.41(25.40%)	0.001916369	1.118537355 Hartree
138	RY*(4)C2 s(71.28%)p0.21(15.12%)d0.19(13.60%)	0.001116525	1.682831779 Hartree
139	RY*(5)C2 s(17.14%)p0.33(5.60%)d4.51(77.27%)	0.000372527	2.195540935 Hartree
140	RY*(6)C2 s(3.49%)p1.42(4.95%)d26.21(91.56%)	0.000332469	2.092590115 Hartree
141	RY*(7)C2 s(3.88%)p1.79(6.94%)d22.96(89.18%)	0.000143258	2.111163945 Hartree
142	RY*(8)C2 s(0.55%)p8.18(4.49%)d99.99(94.97%)	0.000068053	2.241918230 Hartree
143	RY*(9)C2 s(2.97%)p0.91(2.69%)d31.74(94.34%)	0.000033556	2.331705434 Hartree
144	RY*(10)C2 s(96.95%)p0.00(0.11%)d0.03(2.94%)	0.000019002	4.220488450 Hartree
145	RY*(1)C3 s(0.47%)p99.99(93.84%)d12.07(5.69%)	0.004453619	1.200974270 Hartree
146	RY*(2)C3 s(0.17%)p99.99(92.59%)d42.29(7.23%)	0.003249114	1.016250523 Hartree
147	RY*(3)C3 s(0.05%)p99.99(90.95%)d99.99(9.00%)	0.001984922	0.992877379 Hartree
148	RY*(4)C3 s(61.58%)p0.05(2.95%)d0.58(35.48%)	0.001010520	1.781820289 Hartree
149	RY*(5)C3 s(27.81%)p0.01(0.25%)d2.59(71.94%)	0.000644073	2.285880524 Hartree
150	RY*(6)C3 s(0.96%)p0.02(0.02%)d99.99(99.02%)	0.000398601	2.041634361 Hartree
151	RY*(7)C3 s(0.38%)p23.22(8.87%)d99.99(90.75%)	0.000224955	2.161132547 Hartree
152	RY*(8)C3 s(9.38%)p0.45(4.26%)d9.20(86.36%)	0.000196234	2.230593767 Hartree
153	RY*(9)C3 s(0.49%)p12.96(6.30%)d99.99(93.22%)	0.000143746	2.227171920 Hartree
154	RY*(10)C3 s(98.78%)p0.00(0.10%)d0.01(1.13%)	0.000017332	4.173207914 Hartree
155	RY*(1)C4 s(0.36%)p99.99(94.14%)d15.33(5.50%)	0.004473874	1.204044902 Hartree
156	RY*(2)C4 s(0.43%)p99.99(91.55%)d18.62(8.02%)	0.003268321	1.037004640 Hartree
157	RY*(3)C4 s(0.02%)p99.99(90.36%)d99.99(9.62%)	0.001944671	0.992148507 Hartree
158	RY*(4)C4 s(53.70%)p0.07(3.96%)d0.79(42.33%)	0.001022488	1.779873820 Hartree
159	RY*(5)C4 s(33.41%)p0.00(0.08%)d1.99(66.51%)	0.000613700	2.266642588 Hartree
160	RY*(6)C4 s(0.61%)p0.01(0.01%)d99.99(99.38%)	0.000398249	2.044472290 Hartree
161	RY*(7)C4 s(0.47%)p20.05(9.48%)d99.99(90.05%)	0.000213845	2.153139616 Hartree
162	RY*(8)C4 s(12.40%)p0.35(4.36%)d6.71(83.24%)	0.000187036	2.251632189 Hartree
163	RY*(9)C4 s(0.24%)p25.66(6.07%)d99.99(93.70%)	0.000149749	2.226212145 Hartree
164	RY*(10)C4 s(98.44%)p0.00(0.10%)d0.01(1.46%)	0.000017436	4.158214666 Hartree
165	RY*(1)C5 s(0.26%)p99.99(91.20%)d32.34(8.54%)	0.002841987	0.937881048 Hartree
166	RY*(2)C5 s(0.54%)p99.99(88.35%)d20.76(11.11%)	0.001890519	1.020837344 Hartree
167	RY*(3)C5 s(47.00%)p1.07(50.21%)d0.06(2.80%)	0.000850874	1.084552994 Hartree
168	RY*(4)C5 s(47.96%)p0.98(47.18%)d0.10(4.85%)	0.000175010	1.175240582 Hartree
169	RY*(5)C5 s(2.60%)p4.23(11.01%)d33.21(86.39%)	0.000091796	1.858263646 Hartree
170	RY*(6)C5 s(2.19%)p3.38(7.39%)d41.32(90.42%)	0.000046724	2.029807262 Hartree
171	RY*(7)C5 s(2.25%)p0.67(1.52%)d42.73(96.23%)	0.000024320	2.101991865 Hartree
172	RY*(8)C5 s(0.04%)p20.85(0.87%)d99.99(99.08%)	0.000009833	2.022951389 Hartree
173	RY*(9)C5 s(1.04%)p0.96(1.00%)d94.35(97.96%)	0.000014850	2.151538554 Hartree
174	RY*(10)C5 s(96.18%)p0.01(1.44%)d0.02(2.38%)	0.000001444	4.026298528 Hartree
175	RY*(1)H6 s(100.00%)	0.000935877	0.714128552 Hartree
176	RY*(1)H7 s(100.00%)	0.000985573	0.742538947 Hartree
177	RY*(1)H8 s(100.00%)	0.000747746	0.746065524 Hartree
178	RY*(1)C9 s(0.01%)p1.00(89.42%)d0.12(10.57%)	0.002683825	0.943430270 Hartree
179	RY*(2)C9 s(0.43%)p99.99(87.26%)d28.80(12.31%)	0.002050489	0.990999482 Hartree
180	RY*(3)C9 s(52.94%)p0.82(43.28%)d0.07(3.78%)	0.000709244	1.103691658 Hartree
181	RY*(4)C9 s(41.89%)p1.29(53.93%)d0.10(4.19%)	0.000131708	1.134046929 Hartree
182	RY*(5)C9 s(5.13%)p1.59(8.15%)d16.90(86.71%)	0.000051654	1.875776388 Hartree
183	RY*(6)C9 s(3.98%)p1.55(6.15%)d22.59(89.87%)	0.000032082	2.126501822 Hartree
184	RY*(7)C9 s(95.15%)p0.02(1.77%)d0.03(3.08%)	0.000001385	3.981948554 Hartree
185	RY*(8)C9 s(0.25%)p17.34(4.41%)d99.99(95.34%)	0.000008789	2.045080372 Hartree
186	RY*(9)C9 s(0.07%)p67.44(4.84%)d99.99(95.08%)	0.000006170	2.058436052 Hartree
187	RY*(10)C9 s(0.21%)p4.53(0.95%)d99.99(98.84%)	0.000006486	2.025886503 Hartree
188	RY*(1)H10 s(100.00%)	0.000764419	0.734045191 Hartree
189	RY*(1)H11 s(100.00%)	0.000982761	0.724161143 Hartree
190	RY*(1)H12 s(100.00%)	0.001036443	0.696660437 Hartree
191	RY*(1)C13 s(0.14%)p99.99(89.03%)d79.70(10.83%)	0.002717090	0.948173201 Hartree
192	RY*(2)C13 s(0.06%)p99.99(87.41%)d99.99(12.52%)	0.002021030	0.984895324 Hartree
193	RY*(3)C13 s(53.22%)p0.82(43.66%)d0.06(3.13%)	0.000728687	1.092522070 Hartree
194	RY*(4)C13 s(44.08%)p1.23(54.15%)d0.04(1.77%)	0.000131096	1.113729812 Hartree
195	RY*(5)C13 s(3.04%)p2.52(7.67%)d29.33(89.29%)	0.000048767	1.911566814 Hartree
196	RY*(6)C13 s(3.98%)p1.57(6.24%)d22.57(89.78%)	0.000032500	2.127261023 Hartree
197	RY*(7)C13 s(95.05%)p0.02(1.78%)d0.03(3.17%)	0.000001612	3.981436888 Hartree
198	RY*(8)C13 s(0.20%)p25.67(5.02%)d99.99(94.78%)	0.000008918	2.041733756 Hartree
199	RY*(9)C13 s(0.00%)p1.00(4.15%)d23.08(95.84%)	0.000006918	2.048520113 Hartree
200	RY*(10)C13 s(0.29%)p3.73(1.07%)d99.99(98.65%)	0.000006767	2.031134989 Hartree
201	RY*(1)H14 s(100.00%)	0.001034786	0.691427144 Hartree
202	RY*(1)H15 s(100.00%)	0.000777144	0.729246303 Hartree
203	RY*(1)H16 s(100.00%)	0.000969662	0.739086644 Hartree
204	RY*(1)C17 s(0.09%)p99.99(91.18%)d96.81(8.73%)	0.002840245	0.947726763 Hartree
205	RY*(2)C17 s(0.76%)p99.99(88.09%)d14.76(11.15%)	0.001836342	1.029342769 Hartree
206	RY*(3)C17 s(48.41%)p1.01(48.79%)d0.06(2.80%)	0.000868877	1.117045051 Hartree
207	RY*(4)C17 s(46.84%)p1.05(49.23%)d0.08(3.93%)	0.000184816	1.154076950 Hartree
208	RY*(5)C17 s(2.12%)p4.86(10.29%)d41.36(87.59%)	0.000091271	1.864457293 Hartree
209	RY*(6)C17 s(2.01%)p3.44(6.93%)d45.20(91.06%)	0.000046197	2.055343795 Hartree
210	RY*(7)C17 s(2.24%)p0.91(2.04%)d42.69(95.72%)	0.000027700	2.055508809 Hartree
211	RY*(8)C17 s(0.34%)p3.08(1.04%)d99.99(98.62%)	0.000010253	2.034840137 Hartree
212	RY*(9)C17 s(1.32%)p0.84(1.11%)d74.02(97.57%)	0.000013756	2.167255442 Hartree
213	RY*(10)C17 s(95.94%)p0.02(1.47%)d0.03(2.60%)	0.000001529	4.027511145 Hartree
214	RY*(1)H18 s(100.00%)	0.000928108	0.715780675 Hartree
215	RY*(1)H19 s(100.00%)	0.000965400	0.747923619 Hartree
216	RY*(1)H20 s(100.00%)	0.000747368	0.750053086 Hartree
217	RY*(1)C21 s(3.13%)p29.00(90.73%)d1.96(6.14%)	0.005435470	1.324763453 Hartree
218	RY*(2)C21 s(0.55%)p99.99(94.99%)d8.09(4.46%)	0.005144824	1.184347104 Hartree
219	RY*(3)C21 s(9.15%)p9.28(84.83%)d0.66(6.02%)	0.003247452	0.931288455 Hartree
220	RY*(4)C21 s(41.49%)p0.08(3.11%)d1.34(55.39%)	0.000712435	1.662932153 Hartree
221	RY*(5)C21 s(42.47%)p0.17(7.15%)d1.19(50.38%)	0.000648730	1.587415778 Hartree
222	RY*(6)C21 s(2.49%)p2.61(6.49%)d36.56(91.02%)	0.000220932	2.239197792 Hartree
223	RY*(7)C21 s(2.07%)p2.48(5.14%)d44.72(92.79%)	0.000190446	2.285661243 Hartree
224	RY*(8)C21 s(53.77%)p0.03(1.54%)d0.83(44.70%)	0.000086447	3.509832841 Hartree
225	RY*(9)C21 s(25.59%)p0.23(5.88%)d2.68(68.52%)	0.000063684	2.821433459 Hartree
226	RY*(10)C21 s(19.31%)p0.01(0.25%)d4.17(80.44%)	0.000022262	2.679457874 Hartree
227	RY*(1)C22 s(0.33%)p99.99(91.35%)d24.89(8.31%)	0.005018837	1.344288657 Hartree
228	RY*(2)C22 s(0.02%)p99.99(97.75%)d99.99(2.23%)	0.002656086	0.858569366 Hartree
229	RY*(3)C22 s(0.10%)p99.99(46.56%)d99.99(53.34%)	0.000711597	1.365349908 Hartree
230	RY*(4)C22 s(2.02%)p22.72(45.99%)d25.68(51.99%)	0.000617707	1.354378147 Hartree
231	RY*(5)C22 s(97.17%)p0.01(0.65%)d0.02(2.18%)	0.000350544	1.224164594 Hartree
232	RY*(6)C22 s(1.63%)p1.29(2.11%)d58.96(96.26%)	0.000121510	2.492523810 Hartree
233	RY*(7)C22 s(61.33%)p0.03(1.54%)d0.61(37.13%)	0.000061936	3.363306859 Hartree
234	RY*(8)C22 s(3.19%)p1.96(6.25%)d28.40(90.57%)	0.000034647	2.502233260 Hartree
235	RY*(9)C22 s(33.46%)p0.02(0.73%)d1.97(65.81%)	0.000011910	2.826725757 Hartree
236	RY*(10)C22 s(0.76%)p9.53(7.23%)d99.99(92.01%)	0.000013257	1.848196196 Hartree
237	RY*(1)C23 s(0.39%)p99.99(91.71%)d20.10(7.90%)	0.005302010	1.317550560 Hartree
238	RY*(2)C23 s(0.36%)p99.99(98.55%)d3.07(1.09%)	0.003392271	0.722043858 Hartree
239	RY*(3)C23 s(0.04%)p48.40(1.74%)d99.99(98.22%)	0.000688313	1.981076824 Hartree
240	RY*(4)C23 s(0.72%)p99.99(87.65%)d16.15(11.63%)	0.000572268	0.747928767 Hartree
241	RY*(5)C23 s(98.20%)p0.01(1.13%)d0.01(0.67%)	0.000383954	1.200917807 Hartree
242	RY*(6)C23 s(0.03%)p36.83(1.12%)d99.99(98.85%)	0.000138975	2.443477420 Hartree
243	RY*(7)C23 s(54.35%)p0.00(0.12%)d0.84(45.53%)	0.000055201	3.436673821 Hartree
244	RY*(8)C23 s(26.16%)p0.07(1.82%)d2.75(72.02%)	0.000009368	2.663869789 Hartree
245	RY*(9)C23 s(17.60%)p0.39(6.82%)d4.29(75.58%)	0.000014201	2.432878398 Hartree
246	RY*(10)C23 s(2.16%)p4.41(9.52%)d40.95(88.33%)	0.000004847	1.863885195 Hartree
247	RY*(1)C24 s(0.54%)p99.99(90.76%)d16.00(8.70%)	0.005043524	1.326188262 Hartree
248	RY*(2)C24 s(0.00%)p1.00(98.94%)d0.01(1.06%)	0.003142833	0.706126562 Hartree
249	RY*(3)C24 s(0.09%)p99.99(75.29%)d99.99(24.62%)	0.000660521	0.931287883 Hartree
250	RY*(4)C24 s(0.02%)p99.99(15.92%)d99.99(84.07%)	0.000636040	1.775708940 Hartree
251	RY*(5)C24 s(98.01%)p0.00(0.25%)d0.02(1.74%)	0.000315655	1.222127935 Hartree
252	RY*(6)C24 s(0.12%)p9.01(1.10%)d99.99(98.78%)	0.000133025	2.448992851 Hartree
253	RY*(7)C24 s(50.69%)p0.00(0.14%)d0.97(49.17%)	0.000054366	3.378319345 Hartree
254	RY*(8)C24 s(0.71%)p11.84(8.43%)d99.99(90.85%)	0.000010563	2.029255080 Hartree
255	RY*(9)C24 s(5.85%)p1.24(7.27%)d14.86(86.89%)	0.000004862	2.017638029 Hartree
256	RY*(10)C24 s(43.98%)p0.05(2.07%)d1.23(53.95%)	0.000008347	2.936596569 Hartree
257	RY*(1)C25 s(0.28%)p99.99(91.65%)d28.55(8.07%)	0.005215545	1.316013921 Hartree
258	RY*(2)C25 s(0.56%)p99.99(98.37%)d1.90(1.07%)	0.003459870	0.714244953 Hartree
259	RY*(3)C25 s(0.01%)p1.00(9.46%)d9.57(90.53%)	0.000719671	1.871626797 Hartree
260	RY*(4)C25 s(1.97%)p40.21(79.07%)d9.64(18.96%)	0.000545832	0.859745728 Hartree
261	RY*(5)C25 s(96.73%)p0.02(2.21%)d0.01(1.06%)	0.000393362	1.205943305 Hartree
262	RY*(6)C25 s(0.01%)p74.05(1.09%)d99.99(98.89%)	0.000135597	2.447968139 Hartree
263	RY*(7)C25 s(53.78%)p0.00(0.13%)d0.86(46.09%)	0.000053774	3.416580727 Hartree
264	RY*(8)C25 s(43.77%)p0.02(0.96%)d1.26(55.26%)	0.000009671	2.979116945 Hartree
265	RY*(9)C25 s(0.45%)p17.46(7.82%)d99.99(91.74%)	0.000016219	2.173253871 Hartree
266	RY*(10)C25 s(2.44%)p3.84(9.40%)d36.06(88.16%)	0.000001253	1.817129176 Hartree
267	RY*(1)C26 s(0.24%)p99.99(91.77%)d33.89(8.00%)	0.005261985	1.358833424 Hartree
268	RY*(2)C26 s(0.20%)p99.99(97.42%)d12.05(2.38%)	0.002723734	0.836494400 Hartree
269	RY*(3)C26 s(10.82%)p7.97(86.19%)d0.28(2.99%)	0.000792808	0.786600587 Hartree
270	RY*(4)C26 s(3.01%)p0.03(0.09%)d32.21(96.90%)	0.000651018	1.988024465 Hartree
271	RY*(5)C26 s(83.94%)p0.11(9.57%)d0.08(6.49%)	0.000432096	1.135765822 Hartree
272	RY*(6)C26 s(1.15%)p2.01(2.31%)d83.88(96.54%)	0.000133856	2.462090378 Hartree
273	RY*(7)C26 s(60.02%)p0.02(1.29%)d0.64(38.69%)	0.000067857	3.407450278 Hartree
274	RY*(8)C26 s(3.94%)p0.84(3.32%)d23.52(92.74%)	0.000047107	2.130682553 Hartree
275	RY*(9)C26 s(12.26%)p0.55(6.79%)d6.60(80.95%)	0.000029279	2.509609625 Hartree
276	RY*(10)C26 s(24.45%)p0.06(1.40%)d3.03(74.15%)	0.000013644	2.656314477 Hartree
277	RY*(1)H27 s(100.00%)	0.001136601	0.683541187 Hartree
278	RY*(1)H28 s(100.00%)	0.001015496	0.581720515 Hartree
279	RY*(1)H29 s(100.00%)	0.000975753	0.583949617 Hartree
280	RY*(1)H30 s(100.00%)	0.001020595	0.584087715 Hartree
281	RY*(1)H31 s(100.00%)	0.001171701	0.659869940 Hartree
282	RY*(1)H32 s(100.00%)	0.001706498	0.754269343 Hartree
283	RY*(1)C33 s(3.34%)p26.83(89.64%)d2.10(7.02%)	0.005310208	1.388289576 Hartree
284	RY*(2)C33 s(0.01%)p99.99(96.26%)d99.99(3.73%)	0.005108820	1.128838828 Hartree
285	RY*(3)C33 s(6.30%)p13.91(87.65%)d0.96(6.05%)	0.003177643	0.889703531 Hartree
286	RY*(4)C33 s(17.40%)p0.04(0.78%)d4.70(81.81%)	0.000681813	1.862777987 Hartree
287	RY*(5)C33 s(69.43%)p0.10(6.89%)d0.34(23.68%)	0.000633490	1.385564015 Hartree
288	RY*(6)C33 s(2.37%)p2.17(5.14%)d39.06(92.50%)	0.000209542	2.364070838 Hartree
289	RY*(7)C33 s(2.42%)p2.49(6.02%)d37.78(91.55%)	0.000182569	2.159009778 Hartree
290	RY*(8)C33 s(48.49%)p0.04(1.85%)d1.02(49.65%)	0.000086175	3.386610955 Hartree
291	RY*(9)C33 s(30.58%)p0.18(5.65%)d2.08(63.77%)	0.000062908	2.909314894 Hartree
292	RY*(10)C33 s(19.67%)p0.01(0.24%)d4.07(80.09%)	0.000021650	2.674661463 Hartree
293	RY*(1)C34 s(0.33%)p99.99(91.43%)d25.20(8.25%)	0.005034552	1.344476407 Hartree
294	RY*(2)C34 s(0.02%)p99.99(97.66%)d99.99(2.32%)	0.002629002	0.870810401 Hartree
295	RY*(3)C34 s(0.04%)p99.99(46.64%)d99.99(53.32%)	0.000716765	1.363265295 Hartree
296	RY*(4)C34 s(3.46%)p13.14(45.42%)d14.79(51.12%)	0.000625620	1.351292810 Hartree
297	RY*(5)C34 s(95.61%)p0.01(1.31%)d0.03(3.09%)	0.000353664	1.189792237 Hartree
298	RY*(6)C34 s(1.80%)p1.22(2.19%)d53.34(96.01%)	0.000123829	2.483483365 Hartree
299	RY*(7)C34 s(61.12%)p0.03(1.60%)d0.61(37.28%)	0.000062301	3.392507622 Hartree
300	RY*(8)C34 s(3.26%)p1.79(5.82%)d27.87(90.91%)	0.000037177	2.485746600 Hartree
301	RY*(9)C34 s(28.46%)p0.05(1.46%)d2.46(70.08%)	0.000011070	2.666780330 Hartree
302	RY*(10)C34 s(5.93%)p1.12(6.62%)d14.75(87.45%)	0.000014885	2.029190543 Hartree
303	RY*(1)C35 s(0.35%)p99.99(91.71%)d22.46(7.94%)	0.005278144	1.316943828 Hartree
304	RY*(2)C35 s(0.41%)p99.99(98.50%)d2.65(1.09%)	0.003403023	0.720071173 Hartree
305	RY*(3)C35 s(0.14%)p1.24(0.17%)d99.99(99.69%)	0.000681635	2.002079164 Hartree
306	RY*(4)C35 s(1.06%)p83.72(89.01%)d9.33(9.92%)	0.000570598	0.726879429 Hartree
307	RY*(5)C35 s(97.71%)p0.02(1.47%)d0.01(0.82%)	0.000386153	1.209295780 Hartree
308	RY*(6)C35 s(0.05%)p21.87(1.11%)d99.99(98.84%)	0.000138408	2.446274859 Hartree
309	RY*(7)C35 s(54.59%)p0.00(0.13%)d0.83(45.27%)	0.000054896	3.433415017 Hartree
310	RY*(8)C35 s(23.75%)p0.09(2.08%)d3.12(74.16%)	0.000009809	2.622070953 Hartree
311	RY*(9)C35 s(21.92%)p0.28(6.04%)d3.29(72.04%)	0.000017619	2.591135796 Hartree
312	RY*(10)C35 s(0.02%)p99.99(9.94%)d99.99(90.04%)	0.000000969	1.742318493 Hartree
313	RY*(1)C36 s(0.52%)p99.99(90.75%)d16.64(8.72%)	0.005048935	1.325060579 Hartree
314	RY*(2)C36 s(0.00%)p1.00(98.96%)d0.01(1.04%)	0.003150193	0.705601029 Hartree
315	RY*(3)C36 s(0.09%)p99.99(45.04%)d99.99(54.87%)	0.000664422	1.359993186 Hartree
316	RY*(4)C36 s(0.04%)p99.99(46.07%)d99.99(53.89%)	0.000622648	1.347881603 Hartree
317	RY*(5)C36 s(98.07%)p0.00(0.24%)d0.02(1.69%)	0.000311852	1.222941458 Hartree
318	RY*(6)C36 s(0.00%)p1.00(1.09%)d90.74(98.91%)	0.000133803	2.449876050 Hartree
319	RY*(7)C36 s(50.62%)p0.00(0.14%)d0.97(49.24%)	0.000054408	3.378245977 Hartree
320	RY*(8)C36 s(47.98%)p0.01(0.27%)d1.08(51.76%)	0.000007602	3.057060575 Hartree
321	RY*(9)C36 s(0.74%)p11.40(8.43%)d99.99(90.83%)	0.000010616	2.031425071 Hartree
322	RY*(10)C36 s(1.95%)p4.72(9.18%)d45.68(88.88%)	0.000005339	1.891716690 Hartree
323	RY*(1)C37 s(0.30%)p99.99(91.71%)d27.01(7.99%)	0.005223695	1.315200034 Hartree
324	RY*(2)C37 s(0.54%)p99.99(98.38%)d2.02(1.09%)	0.003434703	0.716470609 Hartree
325	RY*(3)C37 s(0.01%)p1.00(10.99%)d8.10(89.00%)	0.000716311	1.848944599 Hartree
326	RY*(4)C37 s(1.34%)p58.24(78.07%)d15.36(20.59%)	0.000549495	0.878851048 Hartree
327	RY*(5)C37 s(97.43%)p0.02(1.69%)d0.01(0.88%)	0.000390477	1.196390865 Hartree
328	RY*(6)C37 s(0.01%)p86.99(1.10%)d99.99(98.88%)	0.000136024	2.445300485 Hartree
329	RY*(7)C37 s(53.58%)p0.00(0.14%)d0.86(46.28%)	0.000054171	3.422384460 Hartree
330	RY*(8)C37 s(40.63%)p0.05(2.15%)d1.41(57.22%)	0.000010428	2.908400407 Hartree
331	RY*(9)C37 s(1.33%)p5.28(7.02%)d68.89(91.65%)	0.000014861	2.189256034 Hartree
332	RY*(10)C37 s(4.85%)p1.84(8.91%)d17.80(86.24%)	0.000002140	1.877361709 Hartree
333	RY*(1)C38 s(0.30%)p99.99(91.63%)d27.12(8.08%)	0.005247465	1.359248373 Hartree
334	RY*(2)C38 s(0.11%)p99.99(97.58%)d20.78(2.31%)	0.002697886	0.827464877 Hartree
335	RY*(3)C38 s(10.76%)p8.03(86.46%)d0.26(2.78%)	0.000790907	0.776335123 Hartree
336	RY*(4)C38 s(3.76%)p0.03(0.11%)d25.58(96.13%)	0.000661158	1.978927602 Hartree
337	RY*(5)C38 s(83.23%)p0.11(9.42%)d0.09(7.35%)	0.000416053	1.142455893 Hartree
338	RY*(6)C38 s(1.02%)p2.21(2.26%)d94.69(96.72%)	0.000133811	2.463726493 Hartree
339	RY*(7)C38 s(64.37%)p0.02(1.33%)d0.53(34.30%)	0.000066165	3.485690715 Hartree
340	RY*(8)C38 s(2.15%)p1.46(3.13%)d44.13(94.72%)	0.000048107	2.085604569 Hartree
341	RY*(9)C38 s(7.73%)p0.90(6.94%)d11.03(85.33%)	0.000028459	2.402743738 Hartree
342	RY*(10)C38 s(26.59%)p0.05(1.29%)d2.71(72.12%)	0.000012183	2.704531112 Hartree
343	RY*(1)H39 s(100.00%)	0.001138179	0.674158731 Hartree
344	RY*(1)H40 s(100.00%)	0.001010764	0.582237707 Hartree
345	RY*(1)H41 s(100.00%)	0.000974337	0.584079139 Hartree
346	RY*(1)H42 s(100.00%)	0.001018540	0.584015703 Hartree
347	RY*(1)H43 s(100.00%)	0.001201537	0.666961840 Hartree
348	RY*(1)H44 s(100.00%)	0.001666086	0.759154061 Hartree

Natural Bond Orbitals

Display Range		- / 348
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	BD(1)C1-C2	6535, 6536	1.973730231	-0.542410366 Hartree
2	BD(1)C1-C4	6537, 6538	1.959062104	-0.537767247 Hartree
3	BD(1)C1-C33	6539, 6540	1.972742227	-0.600616657 Hartree
4	BD(1)C1-H44	6541, 6542	1.966255335	-0.476793168 Hartree
5	BD(1)C2-C3	6543, 6544	1.956558798	-0.537233778 Hartree
6	BD(1)C2-C21	6545, 6546	1.972389909	-0.602286798 Hartree
7	BD(1)C2-H32	6547, 6548	1.966881508	-0.476682006 Hartree
8	BD(1)C3-C4	6549, 6550	1.958586503	-0.541814101 Hartree
9	BD(1)C3-C13	6551, 6552	1.982430313	-0.582901061 Hartree
10	BD(1)C3-C17	6553, 6554	1.979798830	-0.578681592 Hartree
11	BD(1)C4-C5	6555, 6556	1.980013466	-0.582091219 Hartree
12	BD(1)C4-C9	6557, 6558	1.982397790	-0.582887939 Hartree
13	BD(1)C5-H6	6559, 6560	1.987596230	-0.477376270 Hartree
14	BD(1)C5-H7	6561, 6562	1.987293936	-0.476667776 Hartree
15	BD(1)C5-H8	6563, 6564	1.988932631	-0.479347819 Hartree
16	BD(1)C9-H10	6565, 6566	1.989728883	-0.483094192 Hartree
17	BD(1)C9-H11	6567, 6568	1.988063386	-0.480528488 Hartree
18	BD(1)C9-H12	6569, 6570	1.988439611	-0.479230649 Hartree
19	BD(1)C13-H14	6571, 6572	1.988814328	-0.479510622 Hartree
20	BD(1)C13-H15	6573, 6574	1.989943469	-0.482949577 Hartree
21	BD(1)C13-H16	6575, 6576	1.987332069	-0.480591379 Hartree
22	BD(1)C17-H18	6577, 6578	1.987563170	-0.475821705 Hartree
23	BD(1)C17-H19	6579, 6580	1.987207023	-0.476075138 Hartree
24	BD(1)C17-H20	6581, 6582	1.989200554	-0.479188831 Hartree
25	BD(1)C21-C22	6583, 6584	1.968037892	-0.707140024 Hartree
26	BD(2)C21-C22	6585, 6586	1.656625672	-0.240380745 Hartree
27	BD(1)C21-C26	6587, 6588	1.966562890	-0.703310943 Hartree
28	BD(1)C22-C23	6589, 6590	1.973746459	-0.707484791 Hartree
29	BD(1)C22-H31	6591, 6592	1.976555060	-0.494655114 Hartree
30	BD(1)C23-C24	6593, 6594	1.975050661	-0.708971229 Hartree
31	BD(2)C23-C24	6595, 6596	1.671019472	-0.242434954 Hartree
32	BD(1)C23-H30	6597, 6598	1.979179300	-0.496306397 Hartree
33	BD(1)C24-C25	6599, 6600	1.974947143	-0.709876090 Hartree
34	BD(1)C24-H29	6601, 6602	1.979352439	-0.497055775 Hartree
35	BD(1)C25-C26	6603, 6604	1.973975961	-0.709769868 Hartree
36	BD(2)C25-C26	6605, 6606	1.678414969	-0.243773435 Hartree
37	BD(1)C25-H28	6607, 6608	1.979144004	-0.497659091 Hartree
38	BD(1)C26-H27	6609, 6610	1.977120554	-0.495724910 Hartree
39	BD(1)C33-C34	6611, 6612	1.968075087	-0.704786790 Hartree
40	BD(2)C33-C34	6613, 6614	1.655563008	-0.239771797 Hartree
41	BD(1)C33-C38	6615, 6616	1.967385920	-0.704181303 Hartree
42	BD(1)C34-C35	6617, 6618	1.973788267	-0.707202796 Hartree
43	BD(1)C34-H43	6619, 6620	1.976585893	-0.493692675 Hartree
44	BD(1)C35-C36	6621, 6622	1.975146509	-0.709975480 Hartree
45	BD(2)C35-C36	6623, 6624	1.669838570	-0.242640400 Hartree
46	BD(1)C35-H42	6625, 6626	1.979136038	-0.496415237 Hartree
47	BD(1)C36-C37	6627, 6628	1.974923894	-0.708971193 Hartree
48	BD(1)C36-H41	6629, 6630	1.979377978	-0.496951516 Hartree
49	BD(1)C37-C38	6631, 6632	1.974082671	-0.709446260 Hartree
50	BD(2)C37-C38	6633, 6634	1.677187261	-0.243405500 Hartree
51	BD(1)C37-H40	6635, 6636	1.979157759	-0.497434224 Hartree
52	BD(1)C38-H39	6637, 6638	1.977304736	-0.495088303 Hartree
53	CR(1)C1	6639	1.999101926	-10.038228429 Hartree
54	CR(1)C2	6640	1.999097271	-10.036307918 Hartree
55	CR(1)C3	6641	1.999024681	-10.042313360 Hartree
56	CR(1)C4	6642	1.999020141	-10.043219523 Hartree
57	CR(1)C5	6643	1.999364311	-10.038079780 Hartree
58	CR(1)C9	6644	1.999364464	-10.040199139 Hartree
59	CR(1)C13	6645	1.999365349	-10.040258439 Hartree
60	CR(1)C17	6646	1.999368839	-10.037876946 Hartree
61	CR(1)C21	6647	1.998909241	-10.005834041 Hartree
62	CR(1)C22	6648	1.998863325	-10.004706970 Hartree
63	CR(1)C23	6649	1.998940269	-10.010633798 Hartree
64	CR(1)C24	6650	1.998917244	-10.009806010 Hartree
65	CR(1)C25	6651	1.998917010	-10.010605968 Hartree
66	CR(1)C26	6652	1.998885784	-10.004598559 Hartree
67	CR(1)C33	6653	1.998904852	-10.007623201 Hartree
68	CR(1)C34	6654	1.998879944	-10.005087788 Hartree
69	CR(1)C35	6655	1.998933315	-10.010265222 Hartree
70	CR(1)C36	6656	1.998914784	-10.009853212 Hartree
71	CR(1)C37	6657	1.998924108	-10.011075247 Hartree
72	CR(1)C38	6658	1.998885619	-10.005718979 Hartree
73	RY*(1)C1	6659	0.005863501	1.086475371 Hartree
74	RY*(2)C1	6660	0.004120150	1.090403714 Hartree
75	RY*(3)C1	6661	0.001913248	1.133476440 Hartree
76	RY*(4)C1	6662	0.001070181	1.638232155 Hartree
77	RY*(5)C1	6663	0.000362119	2.221938865 Hartree
78	RY*(6)C1	6664	0.000304509	2.081777486 Hartree
79	RY*(7)C1	6665	0.000151483	2.094675930 Hartree
80	RY*(8)C1	6666	0.000064015	2.235770817 Hartree
81	RY*(9)C1	6667	0.000032363	2.410007324 Hartree
82	RY*(10)C1	6668	0.000017838	4.145700970 Hartree
83	RY*(1)C2	6669	0.006120173	1.132731484 Hartree
84	RY*(2)C2	6670	0.003938984	1.077249848 Hartree
85	RY*(3)C2	6671	0.001916369	1.118537355 Hartree
86	RY*(4)C2	6672	0.001116525	1.682831779 Hartree
87	RY*(5)C2	6673	0.000372527	2.195540935 Hartree
88	RY*(6)C2	6674	0.000332469	2.092590115 Hartree
89	RY*(7)C2	6675	0.000143258	2.111163945 Hartree
90	RY*(8)C2	6676	0.000068053	2.241918230 Hartree
91	RY*(9)C2	6677	0.000033556	2.331705434 Hartree
92	RY*(10)C2	6678	0.000019002	4.220488450 Hartree
93	RY*(1)C3	6679	0.004453619	1.200974270 Hartree
94	RY*(2)C3	6680	0.003249114	1.016250523 Hartree
95	RY*(3)C3	6681	0.001984922	0.992877379 Hartree
96	RY*(4)C3	6682	0.001010520	1.781820289 Hartree
97	RY*(5)C3	6683	0.000644073	2.285880524 Hartree
98	RY*(6)C3	6684	0.000398601	2.041634361 Hartree
99	RY*(7)C3	6685	0.000224955	2.161132547 Hartree
100	RY*(8)C3	6686	0.000196234	2.230593767 Hartree
101	RY*(9)C3	6687	0.000143746	2.227171920 Hartree
102	RY*(10)C3	6688	0.000017332	4.173207914 Hartree
103	RY*(1)C4	6689	0.004473874	1.204044902 Hartree
104	RY*(2)C4	6690	0.003268321	1.037004640 Hartree
105	RY*(3)C4	6691	0.001944671	0.992148507 Hartree
106	RY*(4)C4	6692	0.001022488	1.779873820 Hartree
107	RY*(5)C4	6693	0.000613700	2.266642588 Hartree
108	RY*(6)C4	6694	0.000398249	2.044472290 Hartree
109	RY*(7)C4	6695	0.000213845	2.153139616 Hartree
110	RY*(8)C4	6696	0.000187036	2.251632189 Hartree
111	RY*(9)C4	6697	0.000149749	2.226212145 Hartree
112	RY*(10)C4	6698	0.000017436	4.158214666 Hartree
113	RY*(1)C5	6699	0.002841987	0.937881048 Hartree
114	RY*(2)C5	6700	0.001890519	1.020837344 Hartree
115	RY*(3)C5	6701	0.000850874	1.084552994 Hartree
116	RY*(4)C5	6702	0.000175010	1.175240582 Hartree
117	RY*(5)C5	6703	0.000091796	1.858263646 Hartree
118	RY*(6)C5	6704	0.000046724	2.029807262 Hartree
119	RY*(7)C5	6705	0.000024320	2.101991865 Hartree
120	RY*(8)C5	6706	0.000009833	2.022951389 Hartree
121	RY*(9)C5	6707	0.000014850	2.151538554 Hartree
122	RY*(10)C5	6708	0.000001444	4.026298528 Hartree
123	RY*(1)H6	6709	0.000935877	0.714128552 Hartree
124	RY*(1)H7	6710	0.000985573	0.742538947 Hartree
125	RY*(1)H8	6711	0.000747746	0.746065524 Hartree
126	RY*(1)C9	6712	0.002683825	0.943430270 Hartree
127	RY*(2)C9	6713	0.002050489	0.990999482 Hartree
128	RY*(3)C9	6714	0.000709244	1.103691658 Hartree
129	RY*(4)C9	6715	0.000131708	1.134046929 Hartree
130	RY*(5)C9	6716	0.000051654	1.875776388 Hartree
131	RY*(6)C9	6717	0.000032082	2.126501822 Hartree
132	RY*(7)C9	6718	0.000001385	3.981948554 Hartree
133	RY*(8)C9	6719	0.000008789	2.045080372 Hartree
134	RY*(9)C9	6720	0.000006170	2.058436052 Hartree
135	RY*(10)C9	6721	0.000006486	2.025886503 Hartree
136	RY*(1)H10	6722	0.000764419	0.734045191 Hartree
137	RY*(1)H11	6723	0.000982761	0.724161143 Hartree
138	RY*(1)H12	6724	0.001036443	0.696660437 Hartree
139	RY*(1)C13	6725	0.002717090	0.948173201 Hartree
140	RY*(2)C13	6726	0.002021030	0.984895324 Hartree
141	RY*(3)C13	6727	0.000728687	1.092522070 Hartree
142	RY*(4)C13	6728	0.000131096	1.113729812 Hartree
143	RY*(5)C13	6729	0.000048767	1.911566814 Hartree
144	RY*(6)C13	6730	0.000032500	2.127261023 Hartree
145	RY*(7)C13	6731	0.000001612	3.981436888 Hartree
146	RY*(8)C13	6732	0.000008918	2.041733756 Hartree
147	RY*(9)C13	6733	0.000006918	2.048520113 Hartree
148	RY*(10)C13	6734	0.000006767	2.031134989 Hartree
149	RY*(1)H14	6735	0.001034786	0.691427144 Hartree
150	RY*(1)H15	6736	0.000777144	0.729246303 Hartree
151	RY*(1)H16	6737	0.000969662	0.739086644 Hartree
152	RY*(1)C17	6738	0.002840245	0.947726763 Hartree
153	RY*(2)C17	6739	0.001836342	1.029342769 Hartree
154	RY*(3)C17	6740	0.000868877	1.117045051 Hartree
155	RY*(4)C17	6741	0.000184816	1.154076950 Hartree
156	RY*(5)C17	6742	0.000091271	1.864457293 Hartree
157	RY*(6)C17	6743	0.000046197	2.055343795 Hartree
158	RY*(7)C17	6744	0.000027700	2.055508809 Hartree
159	RY*(8)C17	6745	0.000010253	2.034840137 Hartree
160	RY*(9)C17	6746	0.000013756	2.167255442 Hartree
161	RY*(10)C17	6747	0.000001529	4.027511145 Hartree
162	RY*(1)H18	6748	0.000928108	0.715780675 Hartree
163	RY*(1)H19	6749	0.000965400	0.747923619 Hartree
164	RY*(1)H20	6750	0.000747368	0.750053086 Hartree
165	RY*(1)C21	6751	0.005435470	1.324763453 Hartree
166	RY*(2)C21	6752	0.005144824	1.184347104 Hartree
167	RY*(3)C21	6753	0.003247452	0.931288455 Hartree
168	RY*(4)C21	6754	0.000712435	1.662932153 Hartree
169	RY*(5)C21	6755	0.000648730	1.587415778 Hartree
170	RY*(6)C21	6756	0.000220932	2.239197792 Hartree
171	RY*(7)C21	6757	0.000190446	2.285661243 Hartree
172	RY*(8)C21	6758	0.000086447	3.509832841 Hartree
173	RY*(9)C21	6759	0.000063684	2.821433459 Hartree
174	RY*(10)C21	6760	0.000022262	2.679457874 Hartree
175	RY*(1)C22	6761	0.005018837	1.344288657 Hartree
176	RY*(2)C22	6762	0.002656086	0.858569366 Hartree
177	RY*(3)C22	6763	0.000711597	1.365349908 Hartree
178	RY*(4)C22	6764	0.000617707	1.354378147 Hartree
179	RY*(5)C22	6765	0.000350544	1.224164594 Hartree
180	RY*(6)C22	6766	0.000121510	2.492523810 Hartree
181	RY*(7)C22	6767	0.000061936	3.363306859 Hartree
182	RY*(8)C22	6768	0.000034647	2.502233260 Hartree
183	RY*(9)C22	6769	0.000011910	2.826725757 Hartree
184	RY*(10)C22	6770	0.000013257	1.848196196 Hartree
185	RY*(1)C23	6771	0.005302010	1.317550560 Hartree
186	RY*(2)C23	6772	0.003392271	0.722043858 Hartree
187	RY*(3)C23	6773	0.000688313	1.981076824 Hartree
188	RY*(4)C23	6774	0.000572268	0.747928767 Hartree
189	RY*(5)C23	6775	0.000383954	1.200917807 Hartree
190	RY*(6)C23	6776	0.000138975	2.443477420 Hartree
191	RY*(7)C23	6777	0.000055201	3.436673821 Hartree
192	RY*(8)C23	6778	0.000009368	2.663869789 Hartree
193	RY*(9)C23	6779	0.000014201	2.432878398 Hartree
194	RY*(10)C23	6780	0.000004847	1.863885195 Hartree
195	RY*(1)C24	6781	0.005043524	1.326188262 Hartree
196	RY*(2)C24	6782	0.003142833	0.706126562 Hartree
197	RY*(3)C24	6783	0.000660521	0.931287883 Hartree
198	RY*(4)C24	6784	0.000636040	1.775708940 Hartree
199	RY*(5)C24	6785	0.000315655	1.222127935 Hartree
200	RY*(6)C24	6786	0.000133025	2.448992851 Hartree
201	RY*(7)C24	6787	0.000054366	3.378319345 Hartree
202	RY*(8)C24	6788	0.000010563	2.029255080 Hartree
203	RY*(9)C24	6789	0.000004862	2.017638029 Hartree
204	RY*(10)C24	6790	0.000008347	2.936596569 Hartree
205	RY*(1)C25	6791	0.005215545	1.316013921 Hartree
206	RY*(2)C25	6792	0.003459870	0.714244953 Hartree
207	RY*(3)C25	6793	0.000719671	1.871626797 Hartree
208	RY*(4)C25	6794	0.000545832	0.859745728 Hartree
209	RY*(5)C25	6795	0.000393362	1.205943305 Hartree
210	RY*(6)C25	6796	0.000135597	2.447968139 Hartree
211	RY*(7)C25	6797	0.000053774	3.416580727 Hartree
212	RY*(8)C25	6798	0.000009671	2.979116945 Hartree
213	RY*(9)C25	6799	0.000016219	2.173253871 Hartree
214	RY*(10)C25	6800	0.000001253	1.817129176 Hartree
215	RY*(1)C26	6801	0.005261985	1.358833424 Hartree
216	RY*(2)C26	6802	0.002723734	0.836494400 Hartree
217	RY*(3)C26	6803	0.000792808	0.786600587 Hartree
218	RY*(4)C26	6804	0.000651018	1.988024465 Hartree
219	RY*(5)C26	6805	0.000432096	1.135765822 Hartree
220	RY*(6)C26	6806	0.000133856	2.462090378 Hartree
221	RY*(7)C26	6807	0.000067857	3.407450278 Hartree
222	RY*(8)C26	6808	0.000047107	2.130682553 Hartree
223	RY*(9)C26	6809	0.000029279	2.509609625 Hartree
224	RY*(10)C26	6810	0.000013644	2.656314477 Hartree
225	RY*(1)H27	6811	0.001136601	0.683541187 Hartree
226	RY*(1)H28	6812	0.001015496	0.581720515 Hartree
227	RY*(1)H29	6813	0.000975753	0.583949617 Hartree
228	RY*(1)H30	6814	0.001020595	0.584087715 Hartree
229	RY*(1)H31	6815	0.001171701	0.659869940 Hartree
230	RY*(1)H32	6816	0.001706498	0.754269343 Hartree
231	RY*(1)C33	6817	0.005310208	1.388289576 Hartree
232	RY*(2)C33	6818	0.005108820	1.128838828 Hartree
233	RY*(3)C33	6819	0.003177643	0.889703531 Hartree
234	RY*(4)C33	6820	0.000681813	1.862777987 Hartree
235	RY*(5)C33	6821	0.000633490	1.385564015 Hartree
236	RY*(6)C33	6822	0.000209542	2.364070838 Hartree
237	RY*(7)C33	6823	0.000182569	2.159009778 Hartree
238	RY*(8)C33	6824	0.000086175	3.386610955 Hartree
239	RY*(9)C33	6825	0.000062908	2.909314894 Hartree
240	RY*(10)C33	6826	0.000021650	2.674661463 Hartree
241	RY*(1)C34	6827	0.005034552	1.344476407 Hartree
242	RY*(2)C34	6828	0.002629002	0.870810401 Hartree
243	RY*(3)C34	6829	0.000716765	1.363265295 Hartree
244	RY*(4)C34	6830	0.000625620	1.351292810 Hartree
245	RY*(5)C34	6831	0.000353664	1.189792237 Hartree
246	RY*(6)C34	6832	0.000123829	2.483483365 Hartree
247	RY*(7)C34	6833	0.000062301	3.392507622 Hartree
248	RY*(8)C34	6834	0.000037177	2.485746600 Hartree
249	RY*(9)C34	6835	0.000011070	2.666780330 Hartree
250	RY*(10)C34	6836	0.000014885	2.029190543 Hartree
251	RY*(1)C35	6837	0.005278144	1.316943828 Hartree
252	RY*(2)C35	6838	0.003403023	0.720071173 Hartree
253	RY*(3)C35	6839	0.000681635	2.002079164 Hartree
254	RY*(4)C35	6840	0.000570598	0.726879429 Hartree
255	RY*(5)C35	6841	0.000386153	1.209295780 Hartree
256	RY*(6)C35	6842	0.000138408	2.446274859 Hartree
257	RY*(7)C35	6843	0.000054896	3.433415017 Hartree
258	RY*(8)C35	6844	0.000009809	2.622070953 Hartree
259	RY*(9)C35	6845	0.000017619	2.591135796 Hartree
260	RY*(10)C35	6846	0.000000969	1.742318493 Hartree
261	RY*(1)C36	6847	0.005048935	1.325060579 Hartree
262	RY*(2)C36	6848	0.003150193	0.705601029 Hartree
263	RY*(3)C36	6849	0.000664422	1.359993186 Hartree
264	RY*(4)C36	6850	0.000622648	1.347881603 Hartree
265	RY*(5)C36	6851	0.000311852	1.222941458 Hartree
266	RY*(6)C36	6852	0.000133803	2.449876050 Hartree
267	RY*(7)C36	6853	0.000054408	3.378245977 Hartree
268	RY*(8)C36	6854	0.000007602	3.057060575 Hartree
269	RY*(9)C36	6855	0.000010616	2.031425071 Hartree
270	RY*(10)C36	6856	0.000005339	1.891716690 Hartree
271	RY*(1)C37	6857	0.005223695	1.315200034 Hartree
272	RY*(2)C37	6858	0.003434703	0.716470609 Hartree
273	RY*(3)C37	6859	0.000716311	1.848944599 Hartree
274	RY*(4)C37	6860	0.000549495	0.878851048 Hartree
275	RY*(5)C37	6861	0.000390477	1.196390865 Hartree
276	RY*(6)C37	6862	0.000136024	2.445300485 Hartree
277	RY*(7)C37	6863	0.000054171	3.422384460 Hartree
278	RY*(8)C37	6864	0.000010428	2.908400407 Hartree
279	RY*(9)C37	6865	0.000014861	2.189256034 Hartree
280	RY*(10)C37	6866	0.000002140	1.877361709 Hartree
281	RY*(1)C38	6867	0.005247465	1.359248373 Hartree
282	RY*(2)C38	6868	0.002697886	0.827464877 Hartree
283	RY*(3)C38	6869	0.000790907	0.776335123 Hartree
284	RY*(4)C38	6870	0.000661158	1.978927602 Hartree
285	RY*(5)C38	6871	0.000416053	1.142455893 Hartree
286	RY*(6)C38	6872	0.000133811	2.463726493 Hartree
287	RY*(7)C38	6873	0.000066165	3.485690715 Hartree
288	RY*(8)C38	6874	0.000048107	2.085604569 Hartree
289	RY*(9)C38	6875	0.000028459	2.402743738 Hartree
290	RY*(10)C38	6876	0.000012183	2.704531112 Hartree
291	RY*(1)H39	6877	0.001138179	0.674158731 Hartree
292	RY*(1)H40	6878	0.001010764	0.582237707 Hartree
293	RY*(1)H41	6879	0.000974337	0.584079139 Hartree
294	RY*(1)H42	6880	0.001018540	0.584015703 Hartree
295	RY*(1)H43	6881	0.001201537	0.666961840 Hartree
296	RY*(1)H44	6882	0.001666086	0.759154061 Hartree
297	BD*(1)C1-C2		0.013492365	0.374258713 Hartree
298	BD*(1)C1-C4		0.029915022	0.369448754 Hartree
299	BD*(1)C1-C33		0.031850855	0.452705376 Hartree
300	BD*(1)C1-H44		0.020252847	0.428172465 Hartree
301	BD*(1)C2-C3		0.030401230	0.371943908 Hartree
302	BD*(1)C2-C21		0.032358084	0.457669295 Hartree
303	BD*(1)C2-H32		0.020064337	0.428545061 Hartree
304	BD*(1)C3-C4		0.036929701	0.373937763 Hartree
305	BD*(1)C3-C13		0.019987896	0.390712689 Hartree
306	BD*(1)C3-C17		0.019199894	0.388472884 Hartree
307	BD*(1)C4-C5		0.019253704	0.392382463 Hartree
308	BD*(1)C4-C9		0.020103561	0.391588256 Hartree
309	BD*(1)C5-H6		0.007175734	0.433793253 Hartree
310	BD*(1)C5-H7		0.007614753	0.438594814 Hartree
311	BD*(1)C5-H8		0.006526679	0.435313768 Hartree
312	BD*(1)C9-H10		0.006842134	0.433769629 Hartree
313	BD*(1)C9-H11		0.006689919	0.435289381 Hartree
314	BD*(1)C9-H12		0.007129080	0.430062205 Hartree
315	BD*(1)C13-H14		0.007374436	0.430192249 Hartree
316	BD*(1)C13-H15		0.006865863	0.436053815 Hartree
317	BD*(1)C13-H16		0.006779465	0.435130247 Hartree
318	BD*(1)C17-H18		0.007108067	0.432325387 Hartree
319	BD*(1)C17-H19		0.007550603	0.440780026 Hartree
320	BD*(1)C17-H20		0.006726158	0.434916342 Hartree
321	BD*(1)C21-C22		0.028065319	0.680846709 Hartree
322	BD*(2)C21-C22		0.339654627	0.074487334 Hartree
323	BD*(1)C21-C26		0.026897273	0.672102655 Hartree
324	BD*(1)C22-C23		0.018834243	0.677999107 Hartree
325	BD*(1)C22-H31		0.018521715	0.456924717 Hartree
326	BD*(1)C23-C24		0.020101123	0.675482973 Hartree
327	BD*(2)C23-C24		0.332137726	0.068337599 Hartree
328	BD*(1)C23-H30		0.016553820	0.455205509 Hartree
329	BD*(1)C24-C25		0.020111022	0.676617257 Hartree
330	BD*(1)C24-H29		0.017020847	0.452012297 Hartree
331	BD*(1)C25-C26		0.019222967	0.680059021 Hartree
332	BD*(2)C25-C26		0.326654778	0.068681887 Hartree
333	BD*(1)C25-H28		0.016762546	0.451001057 Hartree
334	BD*(1)C26-H27		0.018499302	0.457078247 Hartree
335	BD*(1)C33-C34		0.027610676	0.676594561 Hartree
336	BD*(2)C33-C34		0.340779201	0.073539772 Hartree
337	BD*(1)C33-C38		0.026771875	0.672682372 Hartree
338	BD*(1)C34-C35		0.018862246	0.677617569 Hartree
339	BD*(1)C34-H43		0.018113275	0.459007683 Hartree
340	BD*(1)C35-C36		0.020157709	0.677724846 Hartree
341	BD*(2)C35-C36		0.332219924	0.068848519 Hartree
342	BD*(1)C35-H42		0.016650005	0.454421046 Hartree
343	BD*(1)C36-C37		0.020063401	0.674975554 Hartree
344	BD*(1)C36-H41		0.017071695	0.450828507 Hartree
345	BD*(1)C37-C38		0.019143680	0.678092984 Hartree
346	BD*(2)C37-C38		0.327957241	0.068489447 Hartree
347	BD*(1)C37-H40		0.016586829	0.451909372 Hartree
348	BD*(1)C38-H39		0.018298634	0.454690088 Hartree

Quote

The lyf so short, the craft so long to lerne. -- Chaucer

WebMO Job Summary

610678: C20H24, Natural Bond Orbitals - Gaussian

Calculated Quantities

Overview

Rotational Constants

Molecular Orbitals

Natural Population Analysis

Natural Atomic Orbitals

Natural Hybrid Orbitals

Natural Bond Orbitals

Quote