WebMO Job Summary

Overview

Quantity	Value
Route	#N B3LYP/6-31G(d) SP GFINPUT POP=(FULL,NBORead) Geom=Connectivity
Stoichiometry	C₂₀H₁₆
Symmetry	C2V
Basis	6-31G(d)
RB3LYP Energy	-771.711236459 Hartree
Dipole Moment	0.0862 Debye
Server	default (2770059)
CPU time	163.1 sec

Rotational Constants

Constant	Frequency (GHz)	Frequency (cm^-1)
a	0.5938783	0.01980964778
b	0.1625167	0.00542097360
c	0.1275989	0.00425624116

Molecular Orbitals

Display Range		- / 332
Orbital	Symmetry	Occupancy	Energy	Actions
1	A1	2	-10.20593 Hartree
2	B2	2	-10.20569 Hartree
3	B2	2	-10.20445 Hartree
4	A1	2	-10.20445 Hartree
5	B2	2	-10.19256 Hartree
6	A1	2	-10.19255 Hartree
7	B2	2	-10.19119 Hartree
8	A1	2	-10.19119 Hartree
9	B2	2	-10.19088 Hartree
10	A1	2	-10.19088 Hartree
11	B2	2	-10.19068 Hartree
12	A1	2	-10.19067 Hartree
13	B2	2	-10.19040 Hartree
14	A1	2	-10.19040 Hartree
15	A1	2	-10.19022 Hartree
16	B2	2	-10.18988 Hartree
17	A1	2	-10.18988 Hartree
18	B2	2	-10.18983 Hartree
19	A1	2	-10.18780 Hartree
20	B2	2	-10.18780 Hartree
21	A1	2	-0.86258 Hartree
22	B2	2	-0.85556 Hartree
23	A1	2	-0.84656 Hartree
24	A1	2	-0.79001 Hartree
25	B2	2	-0.78449 Hartree
26	B2	2	-0.74796 Hartree
27	A1	2	-0.74608 Hartree
28	A1	2	-0.74371 Hartree
29	B2	2	-0.74108 Hartree
30	B2	2	-0.68726 Hartree
31	A1	2	-0.65850 Hartree
32	B2	2	-0.61412 Hartree
33	A1	2	-0.61005 Hartree
34	A1	2	-0.60179 Hartree
35	B2	2	-0.59786 Hartree
36	A1	2	-0.57088 Hartree
37	B2	2	-0.55397 Hartree
38	B2	2	-0.51685 Hartree
39	A1	2	-0.51594 Hartree
40	A1	2	-0.49916 Hartree
41	A1	2	-0.48277 Hartree
42	B2	2	-0.46597 Hartree
43	B2	2	-0.46013 Hartree
44	A1	2	-0.44722 Hartree
45	B2	2	-0.44561 Hartree
46	A1	2	-0.44343 Hartree
47	B2	2	-0.42124 Hartree
48	A1	2	-0.41968 Hartree
49	A1	2	-0.41109 Hartree
50	B2	2	-0.40668 Hartree
51	B2	2	-0.39659 Hartree
52	A1	2	-0.38983 Hartree
53	B1	2	-0.38292 Hartree
54	A2	2	-0.37079 Hartree
55	A1	2	-0.36322 Hartree
56	B1	2	-0.35918 Hartree
57	B2	2	-0.35167 Hartree
58	B2	2	-0.34760 Hartree
59	A1	2	-0.34329 Hartree
60	B2	2	-0.32895 Hartree
61	A1	2	-0.31721 Hartree
62	B1	2	-0.29714 Hartree
63	A2	2	-0.29663 Hartree
64	A2	2	-0.25201 Hartree
65	B1	2	-0.25098 Hartree
66	A2	2	-0.24917 Hartree
67	B1	2	-0.24512 Hartree
68	A2	2	-0.17182 Hartree
69	B1	0	-0.08607 Hartree
70	A2	0	-0.00899 Hartree
71	B1	0	-0.00249 Hartree
72	A2	0	0.00137 Hartree
73	B1	0	0.00354 Hartree
74	B1	0	0.06113 Hartree
75	A2	0	0.06311 Hartree
76	A1	0	0.07918 Hartree
77	B2	0	0.09127 Hartree
78	A1	0	0.09147 Hartree
79	A1	0	0.11634 Hartree
80	B2	0	0.12020 Hartree
81	A1	0	0.14496 Hartree
82	B2	0	0.14886 Hartree
83	A2	0	0.15712 Hartree
84	B2	0	0.16403 Hartree
85	A1	0	0.16481 Hartree
86	B1	0	0.17035 Hartree
87	A1	0	0.17497 Hartree
88	B2	0	0.17715 Hartree
89	B2	0	0.18384 Hartree
90	A1	0	0.19500 Hartree
91	A2	0	0.19846 Hartree
92	B2	0	0.20524 Hartree
93	A1	0	0.22907 Hartree
94	B2	0	0.25359 Hartree
95	B2	0	0.27208 Hartree
96	B2	0	0.28141 Hartree
97	A1	0	0.28322 Hartree
98	A1	0	0.28561 Hartree
99	A1	0	0.30464 Hartree
100	B2	0	0.30526 Hartree
101	A1	0	0.31073 Hartree
102	B2	0	0.32299 Hartree
103	A1	0	0.32681 Hartree
104	A1	0	0.33512 Hartree
105	B2	0	0.35233 Hartree
106	A1	0	0.37884 Hartree
107	B2	0	0.40190 Hartree
108	B2	0	0.41276 Hartree
109	A1	0	0.46348 Hartree
110	B2	0	0.46751 Hartree
111	B2	0	0.47440 Hartree
112	A1	0	0.47918 Hartree
113	B1	0	0.50046 Hartree
114	A1	0	0.50562 Hartree
115	A2	0	0.51752 Hartree
116	B1	0	0.53118 Hartree
117	B2	0	0.54359 Hartree
118	B2	0	0.55175 Hartree
119	A1	0	0.55201 Hartree
120	A1	0	0.55486 Hartree
121	B1	0	0.55625 Hartree
122	B2	0	0.55997 Hartree
123	A1	0	0.56156 Hartree
124	A2	0	0.56263 Hartree
125	A1	0	0.57372 Hartree
126	A1	0	0.57683 Hartree
127	B2	0	0.57990 Hartree
128	B2	0	0.58432 Hartree
129	A2	0	0.59228 Hartree
130	B1	0	0.59408 Hartree
131	A1	0	0.59945 Hartree
132	B2	0	0.60409 Hartree
133	A1	0	0.60972 Hartree
134	B2	0	0.61178 Hartree
135	A2	0	0.61774 Hartree
136	A1	0	0.61795 Hartree
137	B1	0	0.62134 Hartree
138	A1	0	0.62364 Hartree
139	B2	0	0.62406 Hartree
140	A1	0	0.62830 Hartree
141	B2	0	0.63533 Hartree
142	B1	0	0.63808 Hartree
143	B2	0	0.63992 Hartree
144	A2	0	0.65307 Hartree
145	A2	0	0.65788 Hartree
146	A1	0	0.66301 Hartree
147	B2	0	0.66359 Hartree
148	B1	0	0.68105 Hartree
149	B1	0	0.69245 Hartree
150	A2	0	0.71775 Hartree
151	A2	0	0.74330 Hartree
152	B1	0	0.74480 Hartree
153	B1	0	0.77010 Hartree
154	A2	0	0.79492 Hartree
155	B2	0	0.80645 Hartree
156	A1	0	0.81473 Hartree
157	A1	0	0.82726 Hartree
158	B2	0	0.83400 Hartree
159	B2	0	0.83809 Hartree
160	A1	0	0.84054 Hartree
161	B2	0	0.84075 Hartree
162	A2	0	0.84476 Hartree
163	A1	0	0.85025 Hartree
164	B2	0	0.85334 Hartree
165	B2	0	0.87956 Hartree
166	A1	0	0.88044 Hartree
167	A1	0	0.89228 Hartree
168	B2	0	0.90777 Hartree
169	A1	0	0.90779 Hartree
170	A1	0	0.91452 Hartree
171	B2	0	0.93593 Hartree
172	B2	0	0.94387 Hartree
173	A1	0	0.95258 Hartree
174	A1	0	0.96848 Hartree
175	B2	0	0.96850 Hartree
176	B2	0	0.98087 Hartree
177	A1	0	0.99922 Hartree
178	B2	0	1.00186 Hartree
179	A1	0	1.01151 Hartree
180	A1	0	1.03010 Hartree
181	B2	0	1.03539 Hartree
182	B2	0	1.05076 Hartree
183	A1	0	1.07417 Hartree
184	A1	0	1.10288 Hartree
185	B2	0	1.10546 Hartree
186	A1	0	1.12055 Hartree
187	B2	0	1.12076 Hartree
188	A1	0	1.14219 Hartree
189	B2	0	1.15571 Hartree
190	A1	0	1.17176 Hartree
191	B2	0	1.17376 Hartree
192	B2	0	1.18455 Hartree
193	A1	0	1.20641 Hartree
194	B2	0	1.20914 Hartree
195	A1	0	1.21939 Hartree
196	B2	0	1.24405 Hartree
197	B1	0	1.24443 Hartree
198	B1	0	1.25176 Hartree
199	A2	0	1.25522 Hartree
200	B1	0	1.28062 Hartree
201	A2	0	1.30493 Hartree
202	A1	0	1.32718 Hartree
203	B2	0	1.35650 Hartree
204	A1	0	1.37500 Hartree
205	B2	0	1.38178 Hartree
206	B1	0	1.41567 Hartree
207	A2	0	1.42715 Hartree
208	B1	0	1.44147 Hartree
209	A1	0	1.44241 Hartree
210	B2	0	1.44596 Hartree
211	B1	0	1.44917 Hartree
212	A1	0	1.46333 Hartree
213	A2	0	1.46638 Hartree
214	B2	0	1.47558 Hartree
215	B1	0	1.48903 Hartree
216	A2	0	1.49157 Hartree
217	B1	0	1.49217 Hartree
218	A2	0	1.50083 Hartree
219	A1	0	1.50500 Hartree
220	B2	0	1.50899 Hartree
221	A2	0	1.50964 Hartree
222	B1	0	1.51471 Hartree
223	A2	0	1.51888 Hartree
224	B1	0	1.52215 Hartree
225	A1	0	1.58301 Hartree
226	B2	0	1.58766 Hartree
227	A1	0	1.71297 Hartree
228	B2	0	1.73076 Hartree
229	A1	0	1.75285 Hartree
230	A1	0	1.77599 Hartree
231	B2	0	1.79563 Hartree
232	A2	0	1.79617 Hartree
233	B2	0	1.80792 Hartree
234	A1	0	1.83256 Hartree
235	B2	0	1.83583 Hartree
236	A1	0	1.84797 Hartree
237	B1	0	1.89500 Hartree
238	A1	0	1.90339 Hartree
239	A2	0	1.90711 Hartree
240	B2	0	1.91288 Hartree
241	B2	0	1.91401 Hartree
242	A1	0	1.91657 Hartree
243	A1	0	1.92400 Hartree
244	B2	0	1.95241 Hartree
245	A1	0	1.96343 Hartree
246	B2	0	1.96512 Hartree
247	A1	0	1.99160 Hartree
248	B2	0	2.00029 Hartree
249	A1	0	2.00645 Hartree
250	B2	0	2.01607 Hartree
251	B1	0	2.01836 Hartree
252	B2	0	2.04664 Hartree
253	A1	0	2.04696 Hartree
254	A1	0	2.09990 Hartree
255	B2	0	2.12159 Hartree
256	A1	0	2.12739 Hartree
257	A2	0	2.13580 Hartree
258	B1	0	2.13599 Hartree
259	B2	0	2.13973 Hartree
260	A1	0	2.14433 Hartree
261	B1	0	2.16418 Hartree
262	A2	0	2.16887 Hartree
263	A1	0	2.17547 Hartree
264	B2	0	2.17713 Hartree
265	B2	0	2.18510 Hartree
266	A2	0	2.23001 Hartree
267	A2	0	2.25192 Hartree
268	B1	0	2.25640 Hartree
269	A2	0	2.28128 Hartree
270	B1	0	2.29772 Hartree
271	A2	0	2.31348 Hartree
272	B1	0	2.31846 Hartree
273	B2	0	2.32077 Hartree
274	B1	0	2.32884 Hartree
275	A1	0	2.33689 Hartree
276	A2	0	2.35294 Hartree
277	B2	0	2.39592 Hartree
278	A1	0	2.42055 Hartree
279	B2	0	2.45651 Hartree
280	B1	0	2.51521 Hartree
281	A1	0	2.53131 Hartree
282	A2	0	2.56767 Hartree
283	B2	0	2.57736 Hartree
284	A1	0	2.58607 Hartree
285	A1	0	2.59756 Hartree
286	B2	0	2.61627 Hartree
287	A2	0	2.63258 Hartree
288	B2	0	2.65278 Hartree
289	B1	0	2.65649 Hartree
290	A2	0	2.67415 Hartree
291	B2	0	2.67833 Hartree
292	A1	0	2.68664 Hartree
293	A1	0	2.71049 Hartree
294	B2	0	2.72327 Hartree
295	A1	0	2.74019 Hartree
296	A1	0	2.76895 Hartree
297	B2	0	2.77217 Hartree
298	B2	0	2.77301 Hartree
299	A1	0	2.77399 Hartree
300	B2	0	2.81020 Hartree
301	A1	0	2.81563 Hartree
302	B2	0	2.82643 Hartree
303	A1	0	2.88105 Hartree
304	B2	0	2.95192 Hartree
305	B2	0	3.00612 Hartree
306	A1	0	3.01450 Hartree
307	B2	0	3.16176 Hartree
308	A1	0	3.20792 Hartree
309	B2	0	3.28848 Hartree
310	A1	0	3.41143 Hartree
311	B2	0	3.41183 Hartree
312	B2	0	3.43719 Hartree
313	A1	0	4.04979 Hartree
314	B2	0	4.07876 Hartree
315	A1	0	4.08929 Hartree
316	A1	0	4.10202 Hartree
317	B2	0	4.10214 Hartree
318	A1	0	4.11999 Hartree
319	B2	0	4.12060 Hartree
320	A1	0	4.12886 Hartree
321	B2	0	4.16275 Hartree
322	B2	0	4.21122 Hartree
323	A1	0	4.22523 Hartree
324	A1	0	4.33234 Hartree
325	B2	0	4.33343 Hartree
326	A1	0	4.34785 Hartree
327	B2	0	4.36604 Hartree
328	B2	0	4.45704 Hartree
329	A1	0	4.46489 Hartree
330	B2	0	4.66177 Hartree
331	A1	0	4.72594 Hartree
332	B2	0	4.80950 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom	Symbol	Charge
1	C	-0.23044
2	C	-0.23044
3	C	-0.19902
4	C	-0.05445
5	C	-0.05445
6	C	-0.19902
7	H	0.22202
8	C	-0.16908
9	C	-0.07858
10	C	-0.20578
11	C	-0.23003
12	C	-0.22904
13	C	-0.23539
14	C	-0.20242
15	H	0.22973
16	H	0.23773
17	H	0.23641
18	H	0.23694
19	H	0.22314
20	H	0.21219
21	C	-0.16908
22	C	-0.07858
23	C	-0.20578
24	C	-0.23003
25	C	-0.22904
26	C	-0.23539
27	C	-0.20242
28	H	0.22973
29	H	0.23773
30	H	0.23641
31	H	0.23694
32	H	0.22314
33	H	0.21219
34	H	0.22202
35	H	0.23608
36	H	0.23608

Natural Atomic Orbitals

Display Range		- / 332
Orbital	Description	Occupancy	Energy	Actions
1	C1 Cor(1S)	1.999068945	-10.041917845 Hartree
2	C1 Val(2S)	0.961415398	-0.165202842 Hartree
3	C1 Ryd(3S)	0.000616505	1.337682921 Hartree
4	C1 Ryd(4S)	0.000027589	3.894160073 Hartree
5	C1 Val(2p)	0.996606619	-0.099847620 Hartree
6	C1 Ryd(3p)	0.000946424	0.624652256 Hartree
7	C1 Val(2p)	1.084251502	-0.034880650 Hartree
8	C1 Ryd(3p)	0.004646947	0.819161132 Hartree
9	C1 Val(2p)	1.174897011	-0.047208420 Hartree
10	C1 Ryd(3p)	0.005094216	1.015446653 Hartree
11	C1 Ryd(3d)	0.000473907	1.896677968 Hartree
12	C1 Ryd(3d)	0.000459952	1.853994479 Hartree
13	C1 Ryd(3d)	0.000788245	2.392592422 Hartree
14	C1 Ryd(3d)	0.000449889	2.343200192 Hartree
15	C1 Ryd(3d)	0.000698821	2.345040354 Hartree
16	C2 Cor(1S)	1.999068945	-10.041917845 Hartree
17	C2 Val(2S)	0.961415398	-0.165202842 Hartree
18	C2 Ryd(3S)	0.000616505	1.337682921 Hartree
19	C2 Ryd(4S)	0.000027589	3.894160073 Hartree
20	C2 Val(2p)	0.996606619	-0.099847620 Hartree
21	C2 Ryd(3p)	0.000946424	0.624652256 Hartree
22	C2 Val(2p)	1.084251502	-0.034880650 Hartree
23	C2 Ryd(3p)	0.004646947	0.819161132 Hartree
24	C2 Val(2p)	1.174897011	-0.047208420 Hartree
25	C2 Ryd(3p)	0.005094216	1.015446653 Hartree
26	C2 Ryd(3d)	0.000473907	1.896677968 Hartree
27	C2 Ryd(3d)	0.000459952	1.853994479 Hartree
28	C2 Ryd(3d)	0.000788245	2.392592422 Hartree
29	C2 Ryd(3d)	0.000449889	2.343200192 Hartree
30	C2 Ryd(3d)	0.000698821	2.345040354 Hartree
31	C3 Cor(1S)	1.999058771	-10.037388840 Hartree
32	C3 Val(2S)	0.945455505	-0.151592732 Hartree
33	C3 Ryd(3S)	0.000659945	1.187395621 Hartree
34	C3 Ryd(4S)	0.000054693	4.069846544 Hartree
35	C3 Val(2p)	0.993984901	-0.099930113 Hartree
36	C3 Ryd(3p)	0.000652356	0.632760579 Hartree
37	C3 Val(2p)	1.189441185	-0.043386342 Hartree
38	C3 Ryd(3p)	0.004543491	1.203531858 Hartree
39	C3 Val(2p)	1.058579876	-0.026729512 Hartree
40	C3 Ryd(3p)	0.003752387	0.824172960 Hartree
41	C3 Ryd(3d)	0.000268972	1.800104704 Hartree
42	C3 Ryd(3d)	0.000646743	1.957756778 Hartree
43	C3 Ryd(3d)	0.000601946	2.464185716 Hartree
44	C3 Ryd(3d)	0.000670815	2.243351181 Hartree
45	C3 Ryd(3d)	0.000644094	2.514436782 Hartree
46	C4 Cor(1S)	1.999002434	-10.055642016 Hartree
47	C4 Val(2S)	0.878975499	-0.129389592 Hartree
48	C4 Ryd(3S)	0.000633021	1.169316247 Hartree
49	C4 Ryd(4S)	0.000055477	4.118353449 Hartree
50	C4 Val(2p)	1.009691789	-0.095901868 Hartree
51	C4 Ryd(3p)	0.000516582	0.710401354 Hartree
52	C4 Val(2p)	1.061033144	-0.036924508 Hartree
53	C4 Ryd(3p)	0.004961061	1.202955491 Hartree
54	C4 Val(2p)	1.091110661	-0.039447455 Hartree
55	C4 Ryd(3p)	0.005505358	1.252939467 Hartree
56	C4 Ryd(3d)	0.000510201	1.893733859 Hartree
57	C4 Ryd(3d)	0.000648405	1.929832137 Hartree
58	C4 Ryd(3d)	0.000709484	2.516773745 Hartree
59	C4 Ryd(3d)	0.000462814	2.390043264 Hartree
60	C4 Ryd(3d)	0.000638697	2.487804129 Hartree
61	C5 Cor(1S)	1.999002434	-10.055642016 Hartree
62	C5 Val(2S)	0.878975499	-0.129389592 Hartree
63	C5 Ryd(3S)	0.000633021	1.169316247 Hartree
64	C5 Ryd(4S)	0.000055477	4.118353449 Hartree
65	C5 Val(2p)	1.009691789	-0.095901868 Hartree
66	C5 Ryd(3p)	0.000516582	0.710401354 Hartree
67	C5 Val(2p)	1.061033144	-0.036924508 Hartree
68	C5 Ryd(3p)	0.004961061	1.202955491 Hartree
69	C5 Val(2p)	1.091110661	-0.039447455 Hartree
70	C5 Ryd(3p)	0.005505358	1.252939467 Hartree
71	C5 Ryd(3d)	0.000510201	1.893733859 Hartree
72	C5 Ryd(3d)	0.000648405	1.929832137 Hartree
73	C5 Ryd(3d)	0.000709484	2.516773745 Hartree
74	C5 Ryd(3d)	0.000462814	2.390043264 Hartree
75	C5 Ryd(3d)	0.000638697	2.487804129 Hartree
76	C6 Cor(1S)	1.999058771	-10.037388840 Hartree
77	C6 Val(2S)	0.945455505	-0.151592732 Hartree
78	C6 Ryd(3S)	0.000659945	1.187395621 Hartree
79	C6 Ryd(4S)	0.000054693	4.069846544 Hartree
80	C6 Val(2p)	0.993984901	-0.099930113 Hartree
81	C6 Ryd(3p)	0.000652356	0.632760579 Hartree
82	C6 Val(2p)	1.189441185	-0.043386342 Hartree
83	C6 Ryd(3p)	0.004543491	1.203531858 Hartree
84	C6 Val(2p)	1.058579876	-0.026729512 Hartree
85	C6 Ryd(3p)	0.003752387	0.824172960 Hartree
86	C6 Ryd(3d)	0.000268972	1.800104704 Hartree
87	C6 Ryd(3d)	0.000646743	1.957756778 Hartree
88	C6 Ryd(3d)	0.000601946	2.464185716 Hartree
89	C6 Ryd(3d)	0.000670815	2.243351181 Hartree
90	C6 Ryd(3d)	0.000644094	2.514436782 Hartree
91	H7 Val(1S)	0.776764006	0.109662215 Hartree
92	H7 Ryd(2S)	0.001214611	0.775162866 Hartree
93	C8 Cor(1S)	1.999087723	-10.043898264 Hartree
94	C8 Val(2S)	0.928110444	-0.148194858 Hartree
95	C8 Ryd(3S)	0.000901064	1.336586656 Hartree
96	C8 Ryd(4S)	0.000053676	3.932246196 Hartree
97	C8 Val(2p)	0.995452869	-0.102331544 Hartree
98	C8 Ryd(3p)	0.000744036	0.642937466 Hartree
99	C8 Val(2p)	1.080504489	-0.029072225 Hartree
100	C8 Ryd(3p)	0.002988901	1.044036098 Hartree
101	C8 Val(2p)	1.153896596	-0.037923825 Hartree
102	C8 Ryd(3p)	0.004600275	1.144402965 Hartree
103	C8 Ryd(3d)	0.000399644	1.887541019 Hartree
104	C8 Ryd(3d)	0.000395290	1.854420164 Hartree
105	C8 Ryd(3d)	0.000895757	2.527660843 Hartree
106	C8 Ryd(3d)	0.000443408	2.353127641 Hartree
107	C8 Ryd(3d)	0.000609398	2.359340328 Hartree
108	C9 Cor(1S)	1.999022042	-10.052967792 Hartree
109	C9 Val(2S)	0.881776921	-0.132343726 Hartree
110	C9 Ryd(3S)	0.000462236	1.144337921 Hartree
111	C9 Ryd(4S)	0.000059240	4.112700624 Hartree
112	C9 Val(2p)	1.006409269	-0.095909039 Hartree
113	C9 Ryd(3p)	0.000326049	0.701270455 Hartree
114	C9 Val(2p)	1.086589724	-0.039047071 Hartree
115	C9 Ryd(3p)	0.004991319	1.232492954 Hartree
116	C9 Val(2p)	1.090145136	-0.049401481 Hartree
117	C9 Ryd(3p)	0.005779763	1.109729625 Hartree
118	C9 Ryd(3d)	0.000682419	1.923413651 Hartree
119	C9 Ryd(3d)	0.000520825	1.907735856 Hartree
120	C9 Ryd(3d)	0.000721312	2.477357145 Hartree
121	C9 Ryd(3d)	0.000469001	2.446415648 Hartree
122	C9 Ryd(3d)	0.000626725	2.453878515 Hartree
123	C10 Cor(1S)	1.999061290	-10.041463894 Hartree
124	C10 Val(2S)	0.946298732	-0.154186986 Hartree
125	C10 Ryd(3S)	0.000501380	1.260475411 Hartree
126	C10 Ryd(4S)	0.000050802	3.982897942 Hartree
127	C10 Val(2p)	1.001814542	-0.101747155 Hartree
128	C10 Ryd(3p)	0.000665183	0.631221426 Hartree
129	C10 Val(2p)	1.062316845	-0.029838846 Hartree
130	C10 Ryd(3p)	0.003262363	0.822532927 Hartree
131	C10 Val(2p)	1.184411242	-0.044553928 Hartree
132	C10 Ryd(3p)	0.004684718	1.172498681 Hartree
133	C10 Ryd(3d)	0.000506084	1.947553613 Hartree
134	C10 Ryd(3d)	0.000280318	1.804567620 Hartree
135	C10 Ryd(3d)	0.000611276	2.446151554 Hartree
136	C10 Ryd(3d)	0.000396265	2.450208946 Hartree
137	C10 Ryd(3d)	0.000917866	2.307889758 Hartree
138	C11 Cor(1S)	1.999104677	-10.043290998 Hartree
139	C11 Val(2S)	0.960257616	-0.166395246 Hartree
140	C11 Ryd(3S)	0.000612167	1.277549767 Hartree
141	C11 Ryd(4S)	0.000034300	3.946830930 Hartree
142	C11 Val(2p)	0.995257305	-0.100094089 Hartree
143	C11 Ryd(3p)	0.000525111	0.624117981 Hartree
144	C11 Val(2p)	1.144296364	-0.043455593 Hartree
145	C11 Ryd(3p)	0.004966202	0.954659848 Hartree
146	C11 Val(2p)	1.117256156	-0.040806426 Hartree
147	C11 Ryd(3p)	0.004907776	0.878750664 Hartree
148	C11 Ryd(3d)	0.000423155	1.858815135 Hartree
149	C11 Ryd(3d)	0.000463497	1.889683793 Hartree
150	C11 Ryd(3d)	0.000874159	2.387458987 Hartree
151	C11 Ryd(3d)	0.000505754	2.295802395 Hartree
152	C11 Ryd(3d)	0.000548894	2.390187795 Hartree
153	C12 Cor(1S)	1.999088282	-10.043740013 Hartree
154	C12 Val(2S)	0.963379267	-0.168291219 Hartree
155	C12 Ryd(3S)	0.000508681	1.281291091 Hartree
156	C12 Ryd(4S)	0.000029855	3.929927185 Hartree
157	C12 Val(2p)	0.994815789	-0.100283889 Hartree
158	C12 Ryd(3p)	0.000891596	0.623068547 Hartree
159	C12 Val(2p)	1.178533913	-0.048787939 Hartree
160	C12 Ryd(3p)	0.004972936	1.069583923 Hartree
161	C12 Val(2p)	1.079510202	-0.035094919 Hartree
162	C12 Ryd(3p)	0.004530617	0.745486488 Hartree
163	C12 Ryd(3d)	0.000355606	1.820797086 Hartree
164	C12 Ryd(3d)	0.000482077	1.926026650 Hartree
165	C12 Ryd(3d)	0.000743082	2.384743284 Hartree
166	C12 Ryd(3d)	0.000625099	2.240666117 Hartree
167	C12 Ryd(3d)	0.000569775	2.423081097 Hartree
168	C13 Cor(1S)	1.999086669	-10.041686901 Hartree
169	C13 Val(2S)	0.959344863	-0.164976533 Hartree
170	C13 Ryd(3S)	0.000631590	1.286238511 Hartree
171	C13 Ryd(4S)	0.000033235	3.933672863 Hartree
172	C13 Val(2p)	0.997817468	-0.099736419 Hartree
173	C13 Ryd(3p)	0.000572887	0.623404248 Hartree
174	C13 Val(2p)	1.068314514	-0.032492896 Hartree
175	C13 Ryd(3p)	0.004601069	0.699564331 Hartree
176	C13 Val(2p)	1.196894627	-0.052374428 Hartree
177	C13 Ryd(3p)	0.005291848	1.126673022 Hartree
178	C13 Ryd(3d)	0.000552510	1.948201933 Hartree
179	C13 Ryd(3d)	0.000325482	1.802481632 Hartree
180	C13 Ryd(3d)	0.000635270	2.397727603 Hartree
181	C13 Ryd(3d)	0.000392649	2.413312402 Hartree
182	C13 Ryd(3d)	0.000895918	2.266595744 Hartree
183	C14 Cor(1S)	1.999086645	-10.042237742 Hartree
184	C14 Val(2S)	0.953600767	-0.163025014 Hartree
185	C14 Ryd(3S)	0.000629039	1.164259319 Hartree
186	C14 Ryd(4S)	0.000053662	4.082805201 Hartree
187	C14 Val(2p)	0.992542961	-0.102409923 Hartree
188	C14 Ryd(3p)	0.000551660	0.626416742 Hartree
189	C14 Val(2p)	1.146245216	-0.048269193 Hartree
190	C14 Ryd(3p)	0.004377001	1.042169992 Hartree
191	C14 Val(2p)	1.098382054	-0.035937056 Hartree
192	C14 Ryd(3p)	0.004178107	0.908211437 Hartree
193	C14 Ryd(3d)	0.000422736	1.858407026 Hartree
194	C14 Ryd(3d)	0.000396780	1.890081975 Hartree
195	C14 Ryd(3d)	0.000892880	2.438169540 Hartree
196	C14 Ryd(3d)	0.000510114	2.297679550 Hartree
197	C14 Ryd(3d)	0.000547746	2.409678662 Hartree
198	H15 Val(1S)	0.769193711	0.089702291 Hartree
199	H15 Ryd(2S)	0.001077864	0.606873890 Hartree
200	H16 Val(1S)	0.761407731	0.095294683 Hartree
201	H16 Ryd(2S)	0.000866571	0.564986270 Hartree
202	H17 Val(1S)	0.762774202	0.095237463 Hartree
203	H17 Ryd(2S)	0.000820425	0.563536985 Hartree
204	H18 Val(1S)	0.762210316	0.095033069 Hartree
205	H18 Ryd(2S)	0.000850244	0.565402571 Hartree
206	H19 Val(1S)	0.775876666	0.103750622 Hartree
207	H19 Ryd(2S)	0.000981410	0.720619462 Hartree
208	H20 Val(1S)	0.786216803	0.088633645 Hartree
209	H20 Ryd(2S)	0.001594671	0.828292712 Hartree
210	C21 Cor(1S)	1.999087723	-10.043898264 Hartree
211	C21 Val(2S)	0.928110444	-0.148194858 Hartree
212	C21 Ryd(3S)	0.000901064	1.336586656 Hartree
213	C21 Ryd(4S)	0.000053676	3.932246196 Hartree
214	C21 Val(2p)	0.995452869	-0.102331544 Hartree
215	C21 Ryd(3p)	0.000744036	0.642937466 Hartree
216	C21 Val(2p)	1.080504489	-0.029072225 Hartree
217	C21 Ryd(3p)	0.002988901	1.044036098 Hartree
218	C21 Val(2p)	1.153896596	-0.037923825 Hartree
219	C21 Ryd(3p)	0.004600275	1.144402965 Hartree
220	C21 Ryd(3d)	0.000399644	1.887541019 Hartree
221	C21 Ryd(3d)	0.000395290	1.854420164 Hartree
222	C21 Ryd(3d)	0.000895757	2.527660843 Hartree
223	C21 Ryd(3d)	0.000443408	2.353127641 Hartree
224	C21 Ryd(3d)	0.000609398	2.359340328 Hartree
225	C22 Cor(1S)	1.999022042	-10.052967792 Hartree
226	C22 Val(2S)	0.881776921	-0.132343726 Hartree
227	C22 Ryd(3S)	0.000462236	1.144337921 Hartree
228	C22 Ryd(4S)	0.000059240	4.112700624 Hartree
229	C22 Val(2p)	1.006409269	-0.095909039 Hartree
230	C22 Ryd(3p)	0.000326049	0.701270455 Hartree
231	C22 Val(2p)	1.086589724	-0.039047071 Hartree
232	C22 Ryd(3p)	0.004991319	1.232492954 Hartree
233	C22 Val(2p)	1.090145136	-0.049401481 Hartree
234	C22 Ryd(3p)	0.005779763	1.109729625 Hartree
235	C22 Ryd(3d)	0.000682419	1.923413651 Hartree
236	C22 Ryd(3d)	0.000520825	1.907735856 Hartree
237	C22 Ryd(3d)	0.000721312	2.477357145 Hartree
238	C22 Ryd(3d)	0.000469001	2.446415648 Hartree
239	C22 Ryd(3d)	0.000626725	2.453878515 Hartree
240	C23 Cor(1S)	1.999061290	-10.041463894 Hartree
241	C23 Val(2S)	0.946298732	-0.154186986 Hartree
242	C23 Ryd(3S)	0.000501380	1.260475411 Hartree
243	C23 Ryd(4S)	0.000050802	3.982897942 Hartree
244	C23 Val(2p)	1.001814542	-0.101747155 Hartree
245	C23 Ryd(3p)	0.000665183	0.631221426 Hartree
246	C23 Val(2p)	1.062316845	-0.029838846 Hartree
247	C23 Ryd(3p)	0.003262363	0.822532927 Hartree
248	C23 Val(2p)	1.184411242	-0.044553928 Hartree
249	C23 Ryd(3p)	0.004684718	1.172498681 Hartree
250	C23 Ryd(3d)	0.000506084	1.947553613 Hartree
251	C23 Ryd(3d)	0.000280318	1.804567620 Hartree
252	C23 Ryd(3d)	0.000611276	2.446151554 Hartree
253	C23 Ryd(3d)	0.000396265	2.450208946 Hartree
254	C23 Ryd(3d)	0.000917866	2.307889758 Hartree
255	C24 Cor(1S)	1.999104677	-10.043290998 Hartree
256	C24 Val(2S)	0.960257616	-0.166395246 Hartree
257	C24 Ryd(3S)	0.000612167	1.277549767 Hartree
258	C24 Ryd(4S)	0.000034300	3.946830930 Hartree
259	C24 Val(2p)	0.995257305	-0.100094089 Hartree
260	C24 Ryd(3p)	0.000525111	0.624117981 Hartree
261	C24 Val(2p)	1.144296364	-0.043455593 Hartree
262	C24 Ryd(3p)	0.004966202	0.954659848 Hartree
263	C24 Val(2p)	1.117256156	-0.040806426 Hartree
264	C24 Ryd(3p)	0.004907776	0.878750664 Hartree
265	C24 Ryd(3d)	0.000423155	1.858815135 Hartree
266	C24 Ryd(3d)	0.000463497	1.889683793 Hartree
267	C24 Ryd(3d)	0.000874159	2.387458987 Hartree
268	C24 Ryd(3d)	0.000505754	2.295802395 Hartree
269	C24 Ryd(3d)	0.000548894	2.390187795 Hartree
270	C25 Cor(1S)	1.999088282	-10.043740013 Hartree
271	C25 Val(2S)	0.963379267	-0.168291219 Hartree
272	C25 Ryd(3S)	0.000508681	1.281291091 Hartree
273	C25 Ryd(4S)	0.000029855	3.929927185 Hartree
274	C25 Val(2p)	0.994815789	-0.100283889 Hartree
275	C25 Ryd(3p)	0.000891596	0.623068547 Hartree
276	C25 Val(2p)	1.178533913	-0.048787939 Hartree
277	C25 Ryd(3p)	0.004972936	1.069583923 Hartree
278	C25 Val(2p)	1.079510202	-0.035094919 Hartree
279	C25 Ryd(3p)	0.004530617	0.745486488 Hartree
280	C25 Ryd(3d)	0.000355606	1.820797086 Hartree
281	C25 Ryd(3d)	0.000482077	1.926026650 Hartree
282	C25 Ryd(3d)	0.000743082	2.384743284 Hartree
283	C25 Ryd(3d)	0.000625099	2.240666117 Hartree
284	C25 Ryd(3d)	0.000569775	2.423081097 Hartree
285	C26 Cor(1S)	1.999086669	-10.041686901 Hartree
286	C26 Val(2S)	0.959344863	-0.164976533 Hartree
287	C26 Ryd(3S)	0.000631590	1.286238511 Hartree
288	C26 Ryd(4S)	0.000033235	3.933672863 Hartree
289	C26 Val(2p)	0.997817468	-0.099736419 Hartree
290	C26 Ryd(3p)	0.000572887	0.623404248 Hartree
291	C26 Val(2p)	1.068314514	-0.032492896 Hartree
292	C26 Ryd(3p)	0.004601069	0.699564331 Hartree
293	C26 Val(2p)	1.196894627	-0.052374428 Hartree
294	C26 Ryd(3p)	0.005291848	1.126673022 Hartree
295	C26 Ryd(3d)	0.000552510	1.948201933 Hartree
296	C26 Ryd(3d)	0.000325482	1.802481632 Hartree
297	C26 Ryd(3d)	0.000635270	2.397727603 Hartree
298	C26 Ryd(3d)	0.000392649	2.413312402 Hartree
299	C26 Ryd(3d)	0.000895918	2.266595744 Hartree
300	C27 Cor(1S)	1.999086645	-10.042237742 Hartree
301	C27 Val(2S)	0.953600767	-0.163025014 Hartree
302	C27 Ryd(3S)	0.000629039	1.164259319 Hartree
303	C27 Ryd(4S)	0.000053662	4.082805201 Hartree
304	C27 Val(2p)	0.992542961	-0.102409923 Hartree
305	C27 Ryd(3p)	0.000551660	0.626416742 Hartree
306	C27 Val(2p)	1.146245216	-0.048269193 Hartree
307	C27 Ryd(3p)	0.004377001	1.042169992 Hartree
308	C27 Val(2p)	1.098382054	-0.035937056 Hartree
309	C27 Ryd(3p)	0.004178107	0.908211437 Hartree
310	C27 Ryd(3d)	0.000422736	1.858407026 Hartree
311	C27 Ryd(3d)	0.000396780	1.890081975 Hartree
312	C27 Ryd(3d)	0.000892880	2.438169540 Hartree
313	C27 Ryd(3d)	0.000510114	2.297679550 Hartree
314	C27 Ryd(3d)	0.000547746	2.409678662 Hartree
315	H28 Val(1S)	0.769193711	0.089702291 Hartree
316	H28 Ryd(2S)	0.001077864	0.606873890 Hartree
317	H29 Val(1S)	0.761407731	0.095294683 Hartree
318	H29 Ryd(2S)	0.000866571	0.564986270 Hartree
319	H30 Val(1S)	0.762774202	0.095237463 Hartree
320	H30 Ryd(2S)	0.000820425	0.563536985 Hartree
321	H31 Val(1S)	0.762210316	0.095033069 Hartree
322	H31 Ryd(2S)	0.000850244	0.565402571 Hartree
323	H32 Val(1S)	0.775876666	0.103750622 Hartree
324	H32 Ryd(2S)	0.000981410	0.720619462 Hartree
325	H33 Val(1S)	0.786216803	0.088633645 Hartree
326	H33 Ryd(2S)	0.001594671	0.828292712 Hartree
327	H34 Val(1S)	0.776764006	0.109662215 Hartree
328	H34 Ryd(2S)	0.001214611	0.775162866 Hartree
329	H35 Val(1S)	0.763061469	0.094378860 Hartree
330	H35 Ryd(2S)	0.000854690	0.562366694 Hartree
331	H36 Val(1S)	0.763061469	0.094378860 Hartree
332	H36 Ryd(2S)	0.000854690	0.562366694 Hartree

Natural Hybrid Orbitals

Display Range		- / 332
Orbital	Description	Occupancy	Energy	Actions
1	BD(1)C1(C2) 1s(33.43%)p1.99(66.52%)d0.00(0.04%)	0.999021019	-0.063964587 Hartree
2	BD(1)C2(C1) 2s(33.43%)p1.99(66.52%)d0.00(0.04%)	0.999021019	-0.063964587 Hartree
3	BD(1)C1(C6) 1s(36.81%)p1.72(63.15%)d0.00(0.04%)	0.994271788	-0.029476391 Hartree
4	BD(1)C6(C1) 6s(37.21%)p1.69(62.76%)d0.00(0.04%)	1.000965061	-0.033618993 Hartree
5	BD(2)C1(C6) 1s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.997232688	-0.100586904 Hartree
6	BD(2)C6(C1) 6s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.994369059	-0.099610075 Hartree
7	BD(1)C1(H36) 1s(29.72%)p2.36(70.23%)d0.00(0.05%)	1.231431792	-0.134843317 Hartree
8	BD(1)H36(C1) 36s(100.00%)	0.763059863	0.095152404 Hartree
9	BD(1)C2(C3) 2s(36.81%)p1.72(63.15%)d0.00(0.04%)	0.994271788	-0.029476391 Hartree
10	BD(1)C3(C2) 3s(37.21%)p1.69(62.76%)d0.00(0.04%)	1.000965061	-0.033618993 Hartree
11	BD(2)C2(C3) 2s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.997232688	-0.100586904 Hartree
12	BD(2)C3(C2) 3s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.994369059	-0.099610075 Hartree
13	BD(1)C2(H35) 2s(29.72%)p2.36(70.23%)d0.00(0.05%)	1.231431792	-0.134843317 Hartree
14	BD(1)H35(C2) 35s(100.00%)	0.763059863	0.095152404 Hartree
15	BD(1)C3(C4) 3s(33.32%)p2.00(66.63%)d0.00(0.04%)	0.979572255	-0.056259891 Hartree
16	BD(1)C4(C3) 4s(32.14%)p2.11(67.82%)d0.00(0.04%)	1.019742777	-0.076175669 Hartree
17	BD(1)C3(H34) 3s(29.41%)p2.40(70.53%)d0.00(0.05%)	1.216214400	-0.116411251 Hartree
18	BD(1)H34(C3) 34s(100.00%)	0.776763032	0.110268002 Hartree
19	BD(1)C4(C5) 4s(31.15%)p2.21(68.81%)d0.00(0.04%)	0.999171418	-0.080335464 Hartree
20	BD(1)C5(C4) 5s(31.15%)p2.21(68.81%)d0.00(0.04%)	0.999171418	-0.080335464 Hartree
21	BD(1)C4(C21) 4s(36.65%)p1.73(63.32%)d0.00(0.04%)	1.013804515	-0.043896675 Hartree
22	BD(1)C21(C4) 21s(38.62%)p1.59(61.34%)d0.00(0.04%)	0.983456240	-0.031329556 Hartree
23	BD(2)C4(C21) 4s(0.00%)p1.00(99.96%)d0.00(0.04%)	1.009766093	-0.094974374 Hartree
24	BD(2)C21(C4) 21s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.995575848	-0.101181100 Hartree
25	BD(1)C5(C6) 5s(32.14%)p2.11(67.82%)d0.00(0.04%)	1.019742777	-0.076175669 Hartree
26	BD(1)C6(C5) 6s(33.32%)p2.00(66.63%)d0.00(0.04%)	0.979572255	-0.056259891 Hartree
27	BD(1)C5(C8) 5s(36.65%)p1.73(63.32%)d0.00(0.04%)	1.013804515	-0.043896675 Hartree
28	BD(1)C8(C5) 8s(38.62%)p1.59(61.34%)d0.00(0.04%)	0.983456240	-0.031329556 Hartree
29	BD(2)C5(C8) 5s(0.00%)p1.00(99.96%)d0.00(0.04%)	1.009766093	-0.094974374 Hartree
30	BD(2)C8(C5) 8s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.995575848	-0.101181100 Hartree
31	BD(1)C6(H7) 6s(29.41%)p2.40(70.53%)d0.00(0.05%)	1.216214400	-0.116411251 Hartree
32	BD(1)H7(C6) 7s(100.00%)	0.776763032	0.110268002 Hartree
33	BD(1)C8(C9) 8s(35.31%)p1.83(64.65%)d0.00(0.04%)	0.979952544	-0.061628295 Hartree
34	BD(1)C9(C8) 9s(33.18%)p2.01(66.79%)d0.00(0.04%)	1.018644747	-0.080313965 Hartree
35	BD(1)C8(H20) 8s(26.08%)p2.83(73.86%)d0.00(0.06%)	1.201137815	-0.107923095 Hartree
36	BD(1)H20(C8) 20s(100.00%)	0.786214679	0.089523819 Hartree
37	BD(1)C9(C10) 9s(34.45%)p1.90(65.51%)d0.00(0.04%)	1.022792342	-0.069950135 Hartree
38	BD(1)C10(C9) 10s(34.82%)p1.87(65.14%)d0.00(0.04%)	0.978223222	-0.041827188 Hartree
39	BD(1)C9(C14) 9s(32.33%)p2.09(67.63%)d0.00(0.04%)	1.018626951	-0.064144078 Hartree
40	BD(1)C14(C9) 14s(34.95%)p1.86(65.01%)d0.00(0.04%)	0.975889240	-0.049283437 Hartree
41	BD(2)C9(C14) 9s(0.00%)p1.00(99.97%)d0.00(0.03%)	1.006339534	-0.095278488 Hartree
42	BD(2)C14(C9) 14s(0.00%)p1.00(99.97%)d0.00(0.03%)	0.992720512	-0.102106230 Hartree
43	BD(1)C10(C11) 10s(35.72%)p1.80(64.24%)d0.00(0.04%)	1.000643651	-0.047014243 Hartree
44	BD(1)C11(C10) 11s(35.38%)p1.83(64.58%)d0.00(0.04%)	0.993846066	-0.045588351 Hartree
45	BD(2)C10(C11) 10s(0.00%)p1.00(99.96%)d0.00(0.04%)	1.002065051	-0.101479993 Hartree
46	BD(2)C11(C10) 11s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.995630498	-0.100616794 Hartree
47	BD(1)C10(H19) 10s(29.42%)p2.40(70.53%)d0.00(0.05%)	1.217375226	-0.123949644 Hartree
48	BD(1)H19(C10) 19s(100.00%)	0.775875611	0.104369162 Hartree
49	BD(1)C11(C12) 11s(35.22%)p1.84(64.74%)d0.00(0.04%)	1.000051358	-0.052322739 Hartree
50	BD(1)C12(C11) 12s(35.03%)p1.85(64.93%)d0.00(0.04%)	0.996766672	-0.048729116 Hartree
51	BD(1)C11(H18) 11s(29.37%)p2.40(70.58%)d0.00(0.05%)	1.232041405	-0.134220646 Hartree
52	BD(1)H18(C11) 18s(100.00%)	0.762208921	0.095757006 Hartree
53	BD(1)C12(C13) 12s(35.02%)p1.85(64.94%)d0.00(0.04%)	0.996092366	-0.048454335 Hartree
54	BD(1)C13(C12) 13s(35.07%)p1.85(64.89%)d0.00(0.04%)	1.000412605	-0.051604998 Hartree
55	BD(2)C12(C13) 12s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.995282161	-0.100874346 Hartree
56	BD(2)C13(C12) 13s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.998208587	-0.100223233 Hartree
57	BD(1)C12(H17) 12s(29.91%)p2.34(70.04%)d0.00(0.05%)	1.232808294	-0.136204794 Hartree
58	BD(1)H17(C12) 17s(100.00%)	0.762772757	0.095975206 Hartree
59	BD(1)C13(C14) 13s(35.35%)p1.83(64.61%)d0.00(0.04%)	0.995160009	-0.043989852 Hartree
60	BD(1)C14(C13) 14s(36.04%)p1.77(63.92%)d0.00(0.04%)	1.000086869	-0.048955708 Hartree
61	BD(1)C13(H16) 13s(29.55%)p2.38(70.40%)d0.00(0.05%)	1.233208907	-0.135474774 Hartree
62	BD(1)H16(C13) 16s(100.00%)	0.761406268	0.096037060 Hartree
63	BD(1)C14(H15) 14s(28.96%)p2.45(70.99%)d0.00(0.05%)	1.225561075	-0.132907816 Hartree
64	BD(1)H15(C14) 15s(100.00%)	0.769191287	0.090652312 Hartree
65	BD(1)C21(C22) 21s(35.31%)p1.83(64.65%)d0.00(0.04%)	0.979952544	-0.061628295 Hartree
66	BD(1)C22(C21) 22s(33.18%)p2.01(66.79%)d0.00(0.04%)	1.018644747	-0.080313965 Hartree
67	BD(1)C21(H33) 21s(26.08%)p2.83(73.86%)d0.00(0.06%)	1.201137815	-0.107923095 Hartree
68	BD(1)H33(C21) 33s(100.00%)	0.786214679	0.089523819 Hartree
69	BD(1)C22(C23) 22s(34.45%)p1.90(65.51%)d0.00(0.04%)	1.022792342	-0.069950135 Hartree
70	BD(1)C23(C22) 23s(34.82%)p1.87(65.14%)d0.00(0.04%)	0.978223222	-0.041827188 Hartree
71	BD(1)C22(C27) 22s(32.33%)p2.09(67.63%)d0.00(0.04%)	1.018626951	-0.064144078 Hartree
72	BD(1)C27(C22) 27s(34.95%)p1.86(65.01%)d0.00(0.04%)	0.975889240	-0.049283437 Hartree
73	BD(2)C22(C27) 22s(0.00%)p1.00(99.97%)d0.00(0.03%)	1.006339534	-0.095278488 Hartree
74	BD(2)C27(C22) 27s(0.00%)p1.00(99.97%)d0.00(0.03%)	0.992720512	-0.102106230 Hartree
75	BD(1)C23(C24) 23s(35.72%)p1.80(64.24%)d0.00(0.04%)	1.000643651	-0.047014243 Hartree
76	BD(1)C24(C23) 24s(35.38%)p1.83(64.58%)d0.00(0.04%)	0.993846066	-0.045588351 Hartree
77	BD(2)C23(C24) 23s(0.00%)p1.00(99.96%)d0.00(0.04%)	1.002065051	-0.101479993 Hartree
78	BD(2)C24(C23) 24s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.995630498	-0.100616794 Hartree
79	BD(1)C23(H32) 23s(29.42%)p2.40(70.53%)d0.00(0.05%)	1.217375226	-0.123949644 Hartree
80	BD(1)H32(C23) 32s(100.00%)	0.775875611	0.104369162 Hartree
81	BD(1)C24(C25) 24s(35.22%)p1.84(64.74%)d0.00(0.04%)	1.000051358	-0.052322739 Hartree
82	BD(1)C25(C24) 25s(35.03%)p1.85(64.93%)d0.00(0.04%)	0.996766672	-0.048729116 Hartree
83	BD(1)C24(H31) 24s(29.37%)p2.40(70.58%)d0.00(0.05%)	1.232041405	-0.134220646 Hartree
84	BD(1)H31(C24) 31s(100.00%)	0.762208921	0.095757006 Hartree
85	BD(1)C25(C26) 25s(35.02%)p1.85(64.94%)d0.00(0.04%)	0.996092366	-0.048454335 Hartree
86	BD(1)C26(C25) 26s(35.07%)p1.85(64.89%)d0.00(0.04%)	1.000412605	-0.051604998 Hartree
87	BD(2)C25(C26) 25s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.995282161	-0.100874346 Hartree
88	BD(2)C26(C25) 26s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.998208587	-0.100223233 Hartree
89	BD(1)C25(H30) 25s(29.91%)p2.34(70.04%)d0.00(0.05%)	1.232808294	-0.136204794 Hartree
90	BD(1)H30(C25) 30s(100.00%)	0.762772757	0.095975206 Hartree
91	BD(1)C26(C27) 26s(35.35%)p1.83(64.61%)d0.00(0.04%)	0.995160009	-0.043989852 Hartree
92	BD(1)C27(C26) 27s(36.04%)p1.77(63.92%)d0.00(0.04%)	1.000086869	-0.048955708 Hartree
93	BD(1)C26(H29) 26s(29.55%)p2.38(70.40%)d0.00(0.05%)	1.233208907	-0.135474774 Hartree
94	BD(1)H29(C26) 29s(100.00%)	0.761406268	0.096037060 Hartree
95	BD(1)C27(H28) 27s(28.96%)p2.45(70.99%)d0.00(0.05%)	1.225561075	-0.132907816 Hartree
96	BD(1)H28(C27) 28s(100.00%)	0.769191287	0.090652312 Hartree
97	CR(1)C1 s(100.00%)p0.00(0.00%)	1.999072561	-10.042284951 Hartree
98	CR(1)C2 s(100.00%)p0.00(0.00%)	1.999072561	-10.042284951 Hartree
99	CR(1)C3 s(100.00%)p0.00(0.00%)	1.999061810	-10.037709890 Hartree
100	CR(1)C4 s(100.00%)	1.999003023	-10.055951369 Hartree
101	CR(1)C5 s(100.00%)	1.999003023	-10.055951369 Hartree
102	CR(1)C6 s(100.00%)p0.00(0.00%)	1.999061810	-10.037709890 Hartree
103	CR(1)C8 s(100.00%)p0.00(0.00%)	1.999088780	-10.044254276 Hartree
104	CR(1)C9 s(100.00%)p0.00(0.00%)	1.999021213	-10.053326666 Hartree
105	CR(1)C10 s(100.00%)p0.00(0.00%)	1.999063262	-10.041800831 Hartree
106	CR(1)C11 s(100.00%)p0.00(0.00%)	1.999108088	-10.043647917 Hartree
107	CR(1)C12 s(100.00%)p0.00(0.00%)	1.999091521	-10.044115384 Hartree
108	CR(1)C13 s(100.00%)p0.00(0.00%)	1.999090083	-10.042060700 Hartree
109	CR(1)C14 s(100.00%)p0.00(0.00%)	1.999090259	-10.042581322 Hartree
110	CR(1)C21 s(100.00%)p0.00(0.00%)	1.999088780	-10.044254276 Hartree
111	CR(1)C22 s(100.00%)p0.00(0.00%)	1.999021213	-10.053326666 Hartree
112	CR(1)C23 s(100.00%)p0.00(0.00%)	1.999063262	-10.041800831 Hartree
113	CR(1)C24 s(100.00%)p0.00(0.00%)	1.999108088	-10.043647917 Hartree
114	CR(1)C25 s(100.00%)p0.00(0.00%)	1.999091521	-10.044115384 Hartree
115	CR(1)C26 s(100.00%)p0.00(0.00%)	1.999090083	-10.042060700 Hartree
116	CR(1)C27 s(100.00%)p0.00(0.00%)	1.999090259	-10.042581322 Hartree
117	RY*(1)C1 s(0.12%)p99.99(92.61%)d60.21(7.27%)	0.004880719	1.277817811 Hartree
118	RY*(2)C1 s(2.05%)p47.06(96.67%)d0.62(1.27%)	0.002867123	0.718673303 Hartree
119	RY*(3)C1 s(0.00%)p1.00(57.93%)d0.73(42.07%)	0.000964629	1.159864378 Hartree
120	RY*(4)C1 s(0.00%)p1.00(36.46%)d1.74(63.54%)	0.000285200	1.461427165 Hartree
121	RY*(5)C1 s(95.34%)p0.02(1.80%)d0.03(2.87%)	0.000240153	1.264601646 Hartree
122	RY*(6)C1 s(2.62%)p0.63(1.65%)d36.54(95.73%)	0.000108773	2.355502883 Hartree
123	RY*(7)C1 s(43.75%)p0.02(0.68%)d1.27(55.57%)	0.000040958	3.227940752 Hartree
124	RY*(8)C1 s(13.29%)p0.50(6.58%)d6.03(80.13%)	0.000012839	2.273358907 Hartree
125	RY*(9)C1 s(42.86%)p0.00(0.11%)d1.33(57.03%)	0.000007342	3.010747932 Hartree
126	RY*(10)C1 s(0.00%)p1.00(5.66%)d16.66(94.34%)	0.000004383	1.754772444 Hartree
127	RY*(1)C2 s(0.12%)p99.99(92.61%)d60.21(7.27%)	0.004880719	1.277817811 Hartree
128	RY*(2)C2 s(2.05%)p47.06(96.67%)d0.62(1.27%)	0.002867123	0.718673303 Hartree
129	RY*(3)C2 s(0.00%)p1.00(57.93%)d0.73(42.07%)	0.000964629	1.159864378 Hartree
130	RY*(4)C2 s(0.00%)p1.00(36.46%)d1.74(63.54%)	0.000285200	1.461427165 Hartree
131	RY*(5)C2 s(95.34%)p0.02(1.80%)d0.03(2.87%)	0.000240153	1.264601647 Hartree
132	RY*(6)C2 s(2.62%)p0.63(1.65%)d36.54(95.73%)	0.000108773	2.355502883 Hartree
133	RY*(7)C2 s(43.75%)p0.02(0.68%)d1.27(55.57%)	0.000040958	3.227940751 Hartree
134	RY*(8)C2 s(13.29%)p0.50(6.58%)d6.03(80.13%)	0.000012839	2.273358906 Hartree
135	RY*(9)C2 s(42.86%)p0.00(0.11%)d1.33(57.03%)	0.000007342	3.010747933 Hartree
136	RY*(10)C2 s(0.00%)p1.00(5.66%)d16.66(94.34%)	0.000004383	1.754772444 Hartree
137	RY*(1)C3 s(0.06%)p99.99(92.72%)d99.99(7.23%)	0.004460134	1.328398803 Hartree
138	RY*(2)C3 s(0.20%)p99.99(97.43%)d11.90(2.37%)	0.002666267	0.872379387 Hartree
139	RY*(3)C3 s(0.00%)p1.00(51.26%)d0.95(48.74%)	0.000891878	1.266644815 Hartree
140	RY*(4)C3 s(92.40%)p0.01(0.72%)d0.07(6.88%)	0.000370447	1.202038627 Hartree
141	RY*(5)C3 s(0.00%)p1.00(40.94%)d1.44(59.06%)	0.000286138	1.390490192 Hartree
142	RY*(6)C3 s(13.90%)p0.14(2.01%)d6.05(84.09%)	0.000084656	2.506231859 Hartree
143	RY*(7)C3 s(64.38%)p0.02(1.38%)d0.53(34.24%)	0.000039347	3.512437267 Hartree
144	RY*(8)C3 s(5.72%)p0.57(3.24%)d15.91(91.04%)	0.000016069	2.441336548 Hartree
145	RY*(9)C3 s(23.40%)p0.11(2.58%)d3.16(74.01%)	0.000012263	2.629000770 Hartree
146	RY*(10)C3 s(0.00%)p1.00(7.85%)d11.74(92.15%)	0.000005896	1.733167016 Hartree
147	RY*(1)C4 s(0.04%)p99.99(96.22%)d89.78(3.74%)	0.005681230	1.341691489 Hartree
148	RY*(2)C4 s(0.29%)p99.99(93.92%)d20.22(5.79%)	0.004923455	1.313279739 Hartree
149	RY*(3)C4 s(0.00%)p1.00(39.23%)d1.55(60.77%)	0.000951667	1.458088059 Hartree
150	RY*(4)C4 s(95.60%)p0.00(0.20%)d0.04(4.20%)	0.000503866	1.241937282 Hartree
151	RY*(5)C4 s(0.00%)p1.00(2.11%)d46.30(97.89%)	0.000425970	1.861603628 Hartree
152	RY*(6)C4 s(0.00%)p1.00(58.70%)d0.70(41.30%)	0.000223248	1.213348169 Hartree
153	RY*(7)C4 s(25.59%)p0.12(2.98%)d2.79(71.43%)	0.000102043	2.619974972 Hartree
154	RY*(8)C4 s(13.13%)p0.37(4.84%)d6.25(82.03%)	0.000099347	2.588649467 Hartree
155	RY*(9)C4 s(43.09%)p0.04(1.81%)d1.28(55.10%)	0.000039700	3.296935519 Hartree
156	RY*(10)C4 s(22.32%)p0.00(0.08%)d3.48(77.60%)	0.000016275	2.730672930 Hartree
157	RY*(1)C5 s(0.04%)p99.99(96.22%)d89.78(3.74%)	0.005681230	1.341691489 Hartree
158	RY*(2)C5 s(0.29%)p99.99(93.92%)d20.22(5.79%)	0.004923455	1.313279739 Hartree
159	RY*(3)C5 s(0.00%)p1.00(39.23%)d1.55(60.77%)	0.000951667	1.458088059 Hartree
160	RY*(4)C5 s(95.60%)p0.00(0.20%)d0.04(4.20%)	0.000503866	1.241937282 Hartree
161	RY*(5)C5 s(0.00%)p1.00(2.11%)d46.30(97.89%)	0.000425970	1.861603628 Hartree
162	RY*(6)C5 s(0.00%)p1.00(58.70%)d0.70(41.30%)	0.000223248	1.213348169 Hartree
163	RY*(7)C5 s(25.59%)p0.12(2.98%)d2.79(71.43%)	0.000102043	2.619974972 Hartree
164	RY*(8)C5 s(13.13%)p0.37(4.84%)d6.25(82.03%)	0.000099347	2.588649467 Hartree
165	RY*(9)C5 s(43.09%)p0.04(1.81%)d1.28(55.10%)	0.000039700	3.296935519 Hartree
166	RY*(10)C5 s(22.32%)p0.00(0.08%)d3.48(77.60%)	0.000016275	2.730672930 Hartree
167	RY*(1)C6 s(0.06%)p99.99(92.72%)d99.99(7.23%)	0.004460134	1.328398803 Hartree
168	RY*(2)C6 s(0.20%)p99.99(97.43%)d11.90(2.37%)	0.002666267	0.872379387 Hartree
169	RY*(3)C6 s(0.00%)p1.00(51.26%)d0.95(48.74%)	0.000891878	1.266644815 Hartree
170	RY*(4)C6 s(92.40%)p0.01(0.72%)d0.07(6.88%)	0.000370447	1.202038627 Hartree
171	RY*(5)C6 s(0.00%)p1.00(40.94%)d1.44(59.06%)	0.000286138	1.390490192 Hartree
172	RY*(6)C6 s(13.90%)p0.14(2.01%)d6.05(84.09%)	0.000084656	2.506231859 Hartree
173	RY*(7)C6 s(64.38%)p0.02(1.38%)d0.53(34.24%)	0.000039347	3.512437268 Hartree
174	RY*(8)C6 s(5.72%)p0.57(3.24%)d15.91(91.04%)	0.000016069	2.441336547 Hartree
175	RY*(9)C6 s(23.40%)p0.11(2.58%)d3.16(74.01%)	0.000012263	2.629000770 Hartree
176	RY*(10)C6 s(0.00%)p1.00(7.85%)d11.74(92.15%)	0.000005896	1.733167016 Hartree
177	RY*(1)H7 s(100.00%)	0.001215585	0.774557079 Hartree
178	RY*(1)C8 s(0.96%)p98.84(95.06%)d4.14(3.98%)	0.005752500	1.253834213 Hartree
179	RY*(2)C8 s(0.07%)p99.99(95.27%)d67.01(4.66%)	0.002178846	1.099055193 Hartree
180	RY*(3)C8 s(0.00%)p1.00(70.21%)d0.42(29.79%)	0.000846443	1.031983782 Hartree
181	RY*(4)C8 s(0.00%)p1.00(28.19%)d2.55(71.81%)	0.000548747	1.591934689 Hartree
182	RY*(5)C8 s(91.25%)p0.01(0.95%)d0.09(7.80%)	0.000343926	1.291090375 Hartree
183	RY*(6)C8 s(9.08%)p0.54(4.95%)d9.46(85.97%)	0.000091551	2.295457346 Hartree
184	RY*(7)C8 s(84.35%)p0.00(0.05%)d0.18(15.59%)	0.000050524	3.739346110 Hartree
185	RY*(8)C8 s(4.31%)p0.87(3.77%)d21.33(91.92%)	0.000022050	2.504858362 Hartree
186	RY*(9)C8 s(9.97%)p0.01(0.10%)d9.02(89.93%)	0.000016955	2.499805180 Hartree
187	RY*(10)C8 s(0.00%)p1.00(1.64%)d60.06(98.36%)	0.000020802	1.759829734 Hartree
188	RY*(1)C9 s(1.01%)p93.71(94.83%)d4.11(4.16%)	0.005955840	1.219531880 Hartree
189	RY*(2)C9 s(0.03%)p99.99(94.76%)d99.99(5.21%)	0.004864504	1.317583932 Hartree
190	RY*(3)C9 s(0.00%)p1.00(6.73%)d13.86(93.27%)	0.000693237	1.833117287 Hartree
191	RY*(4)C9 s(0.00%)p1.00(0.44%)d99.99(99.56%)	0.000606249	1.909781825 Hartree
192	RY*(5)C9 s(98.48%)p0.01(1.03%)d0.00(0.49%)	0.000404184	1.171001062 Hartree
193	RY*(6)C9 s(0.00%)p1.00(92.86%)d0.08(7.14%)	0.000299541	0.788890298 Hartree
194	RY*(7)C9 s(9.49%)p0.41(3.87%)d9.13(86.64%)	0.000198178	2.551727306 Hartree
195	RY*(8)C9 s(10.15%)p0.38(3.84%)d8.47(86.01%)	0.000074835	2.571837766 Hartree
196	RY*(9)C9 s(56.96%)p0.03(1.73%)d0.73(41.31%)	0.000048750	3.408563011 Hartree
197	RY*(10)C9 s(23.91%)p0.00(0.01%)d3.18(76.08%)	0.000011877	2.730642250 Hartree
198	RY*(1)C10 s(0.31%)p99.99(92.19%)d23.96(7.49%)	0.004486509	1.319611546 Hartree
199	RY*(2)C10 s(0.07%)p99.99(97.37%)d34.11(2.55%)	0.002288685	0.872478484 Hartree
200	RY*(3)C10 s(0.00%)p1.00(76.29%)d0.31(23.71%)	0.000626223	0.921202177 Hartree
201	RY*(4)C10 s(0.00%)p1.00(18.79%)d4.32(81.21%)	0.000557317	1.697216225 Hartree
202	RY*(5)C10 s(95.83%)p0.00(0.04%)d0.04(4.13%)	0.000251572	1.162859835 Hartree
203	RY*(6)C10 s(4.25%)p0.51(2.15%)d22.02(93.59%)	0.000102012	2.485044652 Hartree
204	RY*(7)C10 s(67.94%)p0.01(0.68%)d0.46(31.39%)	0.000044063	3.528991254 Hartree
205	RY*(8)C10 s(0.00%)p1.00(4.97%)d19.14(95.03%)	0.000017536	1.764657094 Hartree
206	RY*(9)C10 s(9.64%)p0.29(2.81%)d9.08(87.54%)	0.000017302	2.477525597 Hartree
207	RY*(10)C10 s(22.00%)p0.22(4.83%)d3.33(73.17%)	0.000017274	2.580692104 Hartree
208	RY*(1)C11 s(0.26%)p99.99(92.82%)d26.31(6.91%)	0.005000511	1.269177731 Hartree
209	RY*(2)C11 s(0.39%)p99.99(98.14%)d3.71(1.47%)	0.002870618	0.719795613 Hartree
210	RY*(3)C11 s(0.00%)p1.00(0.14%)d99.99(99.86%)	0.000674774	1.950296919 Hartree
211	RY*(4)C11 s(0.00%)p1.00(88.15%)d0.13(11.85%)	0.000361628	0.735633282 Hartree
212	RY*(5)C11 s(97.49%)p0.00(0.45%)d0.02(2.05%)	0.000273865	1.140226617 Hartree
213	RY*(6)C11 s(0.29%)p4.97(1.45%)d99.99(98.26%)	0.000106551	2.373441044 Hartree
214	RY*(7)C11 s(54.63%)p0.01(0.32%)d0.82(45.05%)	0.000046088	3.431100274 Hartree
215	RY*(8)C11 s(17.28%)p0.35(6.12%)d4.43(76.60%)	0.000012000	2.416772571 Hartree
216	RY*(9)C11 s(29.69%)p0.03(0.79%)d2.34(69.52%)	0.000007513	2.762557927 Hartree
217	RY*(10)C11 s(0.00%)p1.00(11.76%)d7.51(88.24%)	0.000002169	1.687209414 Hartree
218	RY*(1)C12 s(0.41%)p99.99(91.68%)d19.31(7.91%)	0.004688818	1.281553094 Hartree
219	RY*(2)C12 s(0.02%)p99.99(98.60%)d77.42(1.38%)	0.002678134	0.701766225 Hartree
220	RY*(3)C12 s(0.00%)p1.00(69.33%)d0.44(30.67%)	0.000687229	1.000978027 Hartree
221	RY*(4)C12 s(0.00%)p1.00(22.51%)d3.44(77.49%)	0.000574367	1.639390263 Hartree
222	RY*(5)C12 s(96.29%)p0.00(0.09%)d0.04(3.62%)	0.000203038	1.166284448 Hartree
223	RY*(6)C12 s(0.30%)p4.67(1.41%)d99.99(98.29%)	0.000098169	2.371406372 Hartree
224	RY*(7)C12 s(50.94%)p0.00(0.21%)d0.96(48.85%)	0.000046360	3.343764406 Hartree
225	RY*(8)C12 s(4.07%)p1.66(6.75%)d21.92(89.18%)	0.000012611	2.159110414 Hartree
226	RY*(9)C12 s(0.00%)p1.00(8.20%)d11.19(91.80%)	0.000001311	1.730114448 Hartree
227	RY*(10)C12 s(48.01%)p0.03(1.36%)d1.05(50.63%)	0.000005725	3.032483765 Hartree
228	RY*(1)C13 s(0.20%)p99.99(92.54%)d36.91(7.26%)	0.004857271	1.272928745 Hartree
229	RY*(2)C13 s(0.67%)p99.99(98.00%)d1.98(1.33%)	0.002957369	0.710402004 Hartree
230	RY*(3)C13 s(0.00%)p1.00(3.21%)d30.18(96.79%)	0.000670045	1.905384325 Hartree
231	RY*(4)C13 s(0.00%)p1.00(86.98%)d0.15(13.02%)	0.000385993	0.758014792 Hartree
232	RY*(5)C13 s(97.03%)p0.01(0.69%)d0.02(2.28%)	0.000266908	1.182483825 Hartree
233	RY*(6)C13 s(0.64%)p2.11(1.34%)d99.99(98.02%)	0.000102982	2.385145228 Hartree
234	RY*(7)C13 s(56.56%)p0.01(0.48%)d0.76(42.96%)	0.000044896	3.447176564 Hartree
235	RY*(8)C13 s(0.00%)p1.00(9.86%)d9.15(90.14%)	0.000003722	1.711175509 Hartree
236	RY*(9)C13 s(43.34%)p0.02(0.82%)d1.29(55.85%)	0.000008329	3.002692176 Hartree
237	RY*(10)C13 s(1.60%)p3.90(6.23%)d57.60(92.17%)	0.000012894	2.104555500 Hartree
238	RY*(1)C14 s(0.03%)p99.99(92.97%)d99.99(6.99%)	0.004905772	1.296627059 Hartree
239	RY*(2)C14 s(0.11%)p99.99(96.86%)d26.92(3.02%)	0.002479413	0.844351668 Hartree
240	RY*(3)C14 s(0.00%)p1.00(11.24%)d7.89(88.76%)	0.000685642	1.799153357 Hartree
241	RY*(4)C14 s(0.00%)p1.00(83.19%)d0.20(16.81%)	0.000487179	0.822711114 Hartree
242	RY*(5)C14 s(95.94%)p0.00(0.32%)d0.04(3.74%)	0.000326030	1.066276138 Hartree
243	RY*(6)C14 s(5.82%)p0.41(2.38%)d15.78(91.80%)	0.000095668	2.419068192 Hartree
244	RY*(7)C14 s(53.54%)p0.03(1.47%)d0.84(44.99%)	0.000044481	3.294435071 Hartree
245	RY*(8)C14 s(16.87%)p0.34(5.81%)d4.58(77.32%)	0.000015401	2.638492801 Hartree
246	RY*(9)C14 s(0.00%)p1.00(5.60%)d16.85(94.40%)	0.000020805	1.752737578 Hartree
247	RY*(10)C14 s(27.73%)p0.01(0.26%)d2.60(72.00%)	0.000009022	2.767982047 Hartree
248	RY*(1)H15 s(100.00%)	0.001080288	0.605923869 Hartree
249	RY*(1)H16 s(100.00%)	0.000868034	0.564243893 Hartree
250	RY*(1)H17 s(100.00%)	0.000821869	0.562799242 Hartree
251	RY*(1)H18 s(100.00%)	0.000851639	0.564678635 Hartree
252	RY*(1)H19 s(100.00%)	0.000982466	0.720000922 Hartree
253	RY*(1)H20 s(100.00%)	0.001596795	0.827402539 Hartree
254	RY*(1)C21 s(0.96%)p98.84(95.06%)d4.14(3.98%)	0.005752500	1.253834213 Hartree
255	RY*(2)C21 s(0.07%)p99.99(95.27%)d67.01(4.66%)	0.002178846	1.099055193 Hartree
256	RY*(3)C21 s(0.00%)p1.00(70.21%)d0.42(29.79%)	0.000846443	1.031983782 Hartree
257	RY*(4)C21 s(0.00%)p1.00(28.19%)d2.55(71.81%)	0.000548747	1.591934689 Hartree
258	RY*(5)C21 s(91.25%)p0.01(0.95%)d0.09(7.80%)	0.000343926	1.291090375 Hartree
259	RY*(6)C21 s(9.08%)p0.54(4.95%)d9.46(85.97%)	0.000091551	2.295457346 Hartree
260	RY*(7)C21 s(84.35%)p0.00(0.05%)d0.18(15.59%)	0.000050524	3.739346109 Hartree
261	RY*(8)C21 s(4.31%)p0.87(3.77%)d21.33(91.92%)	0.000022050	2.504858363 Hartree
262	RY*(9)C21 s(9.97%)p0.01(0.10%)d9.02(89.93%)	0.000016955	2.499805180 Hartree
263	RY*(10)C21 s(0.00%)p1.00(1.64%)d60.06(98.36%)	0.000020802	1.759829734 Hartree
264	RY*(1)C22 s(1.01%)p93.71(94.83%)d4.11(4.16%)	0.005955840	1.219531880 Hartree
265	RY*(2)C22 s(0.03%)p99.99(94.76%)d99.99(5.21%)	0.004864504	1.317583932 Hartree
266	RY*(3)C22 s(0.00%)p1.00(6.73%)d13.86(93.27%)	0.000693237	1.833117287 Hartree
267	RY*(4)C22 s(0.00%)p1.00(0.44%)d99.99(99.56%)	0.000606249	1.909781825 Hartree
268	RY*(5)C22 s(98.48%)p0.01(1.03%)d0.00(0.49%)	0.000404184	1.171001062 Hartree
269	RY*(6)C22 s(0.00%)p1.00(92.86%)d0.08(7.14%)	0.000299541	0.788890298 Hartree
270	RY*(7)C22 s(9.49%)p0.41(3.87%)d9.13(86.64%)	0.000198178	2.551727306 Hartree
271	RY*(8)C22 s(10.15%)p0.38(3.84%)d8.47(86.01%)	0.000074835	2.571837767 Hartree
272	RY*(9)C22 s(56.96%)p0.03(1.73%)d0.73(41.31%)	0.000048750	3.408563010 Hartree
273	RY*(10)C22 s(23.91%)p0.00(0.01%)d3.18(76.08%)	0.000011877	2.730642249 Hartree
274	RY*(1)C23 s(0.31%)p99.99(92.19%)d23.96(7.49%)	0.004486509	1.319611546 Hartree
275	RY*(2)C23 s(0.07%)p99.99(97.37%)d34.11(2.55%)	0.002288685	0.872478484 Hartree
276	RY*(3)C23 s(0.00%)p1.00(76.29%)d0.31(23.71%)	0.000626223	0.921202177 Hartree
277	RY*(4)C23 s(0.00%)p1.00(18.79%)d4.32(81.21%)	0.000557317	1.697216225 Hartree
278	RY*(5)C23 s(95.83%)p0.00(0.04%)d0.04(4.13%)	0.000251572	1.162859835 Hartree
279	RY*(6)C23 s(4.25%)p0.51(2.15%)d22.02(93.59%)	0.000102012	2.485044652 Hartree
280	RY*(7)C23 s(67.94%)p0.01(0.68%)d0.46(31.39%)	0.000044063	3.528991254 Hartree
281	RY*(8)C23 s(0.00%)p1.00(4.97%)d19.14(95.03%)	0.000017536	1.764657094 Hartree
282	RY*(9)C23 s(9.64%)p0.29(2.81%)d9.08(87.54%)	0.000017302	2.477525596 Hartree
283	RY*(10)C23 s(22.00%)p0.22(4.83%)d3.33(73.17%)	0.000017274	2.580692104 Hartree
284	RY*(1)C24 s(0.26%)p99.99(92.82%)d26.31(6.91%)	0.005000511	1.269177731 Hartree
285	RY*(2)C24 s(0.39%)p99.99(98.14%)d3.71(1.47%)	0.002870618	0.719795613 Hartree
286	RY*(3)C24 s(0.00%)p1.00(0.14%)d99.99(99.86%)	0.000674774	1.950296919 Hartree
287	RY*(4)C24 s(0.00%)p1.00(88.15%)d0.13(11.85%)	0.000361628	0.735633282 Hartree
288	RY*(5)C24 s(97.49%)p0.00(0.45%)d0.02(2.05%)	0.000273865	1.140226617 Hartree
289	RY*(6)C24 s(0.29%)p4.97(1.45%)d99.99(98.26%)	0.000106551	2.373441044 Hartree
290	RY*(7)C24 s(54.63%)p0.01(0.32%)d0.82(45.05%)	0.000046088	3.431100273 Hartree
291	RY*(8)C24 s(17.28%)p0.35(6.12%)d4.43(76.60%)	0.000012000	2.416772572 Hartree
292	RY*(9)C24 s(29.69%)p0.03(0.79%)d2.34(69.52%)	0.000007513	2.762557927 Hartree
293	RY*(10)C24 s(0.00%)p1.00(11.76%)d7.51(88.24%)	0.000002169	1.687209414 Hartree
294	RY*(1)C25 s(0.41%)p99.99(91.68%)d19.31(7.91%)	0.004688818	1.281553094 Hartree
295	RY*(2)C25 s(0.02%)p99.99(98.60%)d77.42(1.38%)	0.002678134	0.701766225 Hartree
296	RY*(3)C25 s(0.00%)p1.00(69.33%)d0.44(30.67%)	0.000687229	1.000978027 Hartree
297	RY*(4)C25 s(0.00%)p1.00(22.51%)d3.44(77.49%)	0.000574367	1.639390263 Hartree
298	RY*(5)C25 s(96.29%)p0.00(0.09%)d0.04(3.62%)	0.000203038	1.166284449 Hartree
299	RY*(6)C25 s(0.30%)p4.67(1.41%)d99.99(98.29%)	0.000098169	2.371406372 Hartree
300	RY*(7)C25 s(50.94%)p0.00(0.21%)d0.96(48.85%)	0.000046360	3.343764405 Hartree
301	RY*(8)C25 s(4.07%)p1.66(6.75%)d21.92(89.18%)	0.000012611	2.159110414 Hartree
302	RY*(9)C25 s(0.00%)p1.00(8.20%)d11.19(91.80%)	0.000001311	1.730114448 Hartree
303	RY*(10)C25 s(48.01%)p0.03(1.36%)d1.05(50.63%)	0.000005725	3.032483765 Hartree
304	RY*(1)C26 s(0.20%)p99.99(92.54%)d36.91(7.26%)	0.004857271	1.272928745 Hartree
305	RY*(2)C26 s(0.67%)p99.99(98.00%)d1.98(1.33%)	0.002957369	0.710402004 Hartree
306	RY*(3)C26 s(0.00%)p1.00(3.21%)d30.18(96.79%)	0.000670045	1.905384325 Hartree
307	RY*(4)C26 s(0.00%)p1.00(86.98%)d0.15(13.02%)	0.000385993	0.758014792 Hartree
308	RY*(5)C26 s(97.03%)p0.01(0.69%)d0.02(2.28%)	0.000266908	1.182483825 Hartree
309	RY*(6)C26 s(0.64%)p2.11(1.34%)d99.99(98.02%)	0.000102982	2.385145228 Hartree
310	RY*(7)C26 s(56.56%)p0.01(0.48%)d0.76(42.96%)	0.000044896	3.447176565 Hartree
311	RY*(8)C26 s(0.00%)p1.00(9.86%)d9.15(90.14%)	0.000003722	1.711175509 Hartree
312	RY*(9)C26 s(43.34%)p0.02(0.82%)d1.29(55.85%)	0.000008329	3.002692175 Hartree
313	RY*(10)C26 s(1.60%)p3.90(6.23%)d57.60(92.17%)	0.000012894	2.104555500 Hartree
314	RY*(1)C27 s(0.03%)p99.99(92.97%)d99.99(6.99%)	0.004905772	1.296627059 Hartree
315	RY*(2)C27 s(0.11%)p99.99(96.86%)d26.92(3.02%)	0.002479413	0.844351668 Hartree
316	RY*(3)C27 s(0.00%)p1.00(11.24%)d7.89(88.76%)	0.000685642	1.799153357 Hartree
317	RY*(4)C27 s(0.00%)p1.00(83.19%)d0.20(16.81%)	0.000487179	0.822711114 Hartree
318	RY*(5)C27 s(95.94%)p0.00(0.32%)d0.04(3.74%)	0.000326030	1.066276138 Hartree
319	RY*(6)C27 s(5.82%)p0.41(2.38%)d15.78(91.80%)	0.000095668	2.419068192 Hartree
320	RY*(7)C27 s(53.54%)p0.03(1.47%)d0.84(44.99%)	0.000044481	3.294435069 Hartree
321	RY*(8)C27 s(16.87%)p0.34(5.81%)d4.58(77.32%)	0.000015401	2.638492802 Hartree
322	RY*(9)C27 s(0.00%)p1.00(5.60%)d16.85(94.40%)	0.000020805	1.752737578 Hartree
323	RY*(10)C27 s(27.73%)p0.01(0.26%)d2.60(72.00%)	0.000009022	2.767982048 Hartree
324	RY*(1)H28 s(100.00%)	0.001080288	0.605923869 Hartree
325	RY*(1)H29 s(100.00%)	0.000868034	0.564243893 Hartree
326	RY*(1)H30 s(100.00%)	0.000821869	0.562799242 Hartree
327	RY*(1)H31 s(100.00%)	0.000851639	0.564678635 Hartree
328	RY*(1)H32 s(100.00%)	0.000982466	0.720000922 Hartree
329	RY*(1)H33 s(100.00%)	0.001596795	0.827402539 Hartree
330	RY*(1)H34 s(100.00%)	0.001215585	0.774557079 Hartree
331	RY*(1)H35 s(100.00%)	0.000856296	0.561593150 Hartree
332	RY*(1)H36 s(100.00%)	0.000856296	0.561593150 Hartree

Natural Bond Orbitals

Display Range		- / 332
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	BD(1)C1-C2	3540, 3541	1.979587466	-0.658928095 Hartree
2	BD(1)C1-C6	3542, 3543	1.982074050	-0.712135096 Hartree
3	BD(2)C1-C6	3544, 3545	1.822618318	-0.254353669 Hartree
4	BD(1)C1-H36	3546, 3547	1.982234052	-0.516310380 Hartree
5	BD(1)C2-C3	3548, 3549	1.982074050	-0.712135096 Hartree
6	BD(2)C2-C3	3550, 3551	1.822618318	-0.254353669 Hartree
7	BD(1)C2-H35	3552, 3553	1.982234052	-0.516310379 Hartree
8	BD(1)C3-C4	3554, 3555	1.974793154	-0.649911011 Hartree
9	BD(1)C3-H34	3556, 3557	1.976968938	-0.516743114 Hartree
10	BD(1)C4-C5	3558, 3559	1.967665227	-0.616060474 Hartree
11	BD(1)C4-C21	3560, 3561	1.979522014	-0.708256876 Hartree
12	BD(2)C4-C21	3562, 3563	1.763109653	-0.248203810 Hartree
13	BD(1)C5-C6	3564, 3565	1.974793154	-0.649911011 Hartree
14	BD(1)C5-C8	3566, 3567	1.979522015	-0.708256876 Hartree
15	BD(2)C5-C8	3568, 3569	1.763109653	-0.248203810 Hartree
16	BD(1)C6-H7	3570, 3571	1.976968938	-0.516743114 Hartree
17	BD(1)C8-C9	3572, 3573	1.976679975	-0.653118297 Hartree
18	BD(1)C8-H20	3574, 3575	1.971665359	-0.499324139 Hartree
19	BD(1)C9-C10	3576, 3577	1.975278902	-0.678323865 Hartree
20	BD(1)C9-C14	3578, 3579	1.974422756	-0.667948333 Hartree
21	BD(2)C9-C14	3580, 3581	1.599952108	-0.233858181 Hartree
22	BD(1)C10-C11	3582, 3583	1.980046740	-0.687268582 Hartree
23	BD(2)C10-C11	3584, 3585	1.687134505	-0.243251652 Hartree
24	BD(1)C10-H19	3586, 3587	1.978413243	-0.518794894 Hartree
25	BD(1)C11-C12	3588, 3589	1.980932501	-0.685221974 Hartree
26	BD(1)C11-H18	3590, 3591	1.982281126	-0.515273705 Hartree
27	BD(1)C12-C13	3592, 3593	1.980560343	-0.684470310 Hartree
28	BD(2)C12-C13	3594, 3595	1.648270404	-0.240623181 Hartree
29	BD(1)C12-H17	3596, 3597	1.983400253	-0.518240159 Hartree
30	BD(1)C13-C14	3598, 3599	1.981056058	-0.691209310 Hartree
31	BD(1)C13-H16	3600, 3601	1.982286565	-0.516192578 Hartree
32	BD(1)C14-H15	3602, 3603	1.981983195	-0.514414693 Hartree
33	BD(1)C21-C22	3604, 3605	1.976679975	-0.653118297 Hartree
34	BD(1)C21-H33	3606, 3607	1.971665359	-0.499324139 Hartree
35	BD(1)C22-C23	3608, 3609	1.975278902	-0.678323865 Hartree
36	BD(1)C22-C27	3610, 3611	1.974422756	-0.667948333 Hartree
37	BD(2)C22-C27	3612, 3613	1.599952108	-0.233858181 Hartree
38	BD(1)C23-C24	3614, 3615	1.980046740	-0.687268582 Hartree
39	BD(2)C23-C24	3616, 3617	1.687134505	-0.243251652 Hartree
40	BD(1)C23-H32	3618, 3619	1.978413243	-0.518794894 Hartree
41	BD(1)C24-C25	3620, 3621	1.980932501	-0.685221974 Hartree
42	BD(1)C24-H31	3622, 3623	1.982281126	-0.515273705 Hartree
43	BD(1)C25-C26	3624, 3625	1.980560343	-0.684470310 Hartree
44	BD(2)C25-C26	3626, 3627	1.648270404	-0.240623181 Hartree
45	BD(1)C25-H30	3628, 3629	1.983400253	-0.518240159 Hartree
46	BD(1)C26-C27	3630, 3631	1.981056058	-0.691209310 Hartree
47	BD(1)C26-H29	3632, 3633	1.982286565	-0.516192578 Hartree
48	BD(1)C27-H28	3634, 3635	1.981983195	-0.514414693 Hartree
49	CR(1)C1	3636	1.999072561	-10.042284951 Hartree
50	CR(1)C2	3637	1.999072561	-10.042284951 Hartree
51	CR(1)C3	3638	1.999061810	-10.037709890 Hartree
52	CR(1)C4	3639	1.999003023	-10.055951369 Hartree
53	CR(1)C5	3640	1.999003023	-10.055951369 Hartree
54	CR(1)C6	3641	1.999061810	-10.037709890 Hartree
55	CR(1)C8	3642	1.999088780	-10.044254276 Hartree
56	CR(1)C9	3643	1.999021213	-10.053326666 Hartree
57	CR(1)C10	3644	1.999063262	-10.041800831 Hartree
58	CR(1)C11	3645	1.999108088	-10.043647917 Hartree
59	CR(1)C12	3646	1.999091521	-10.044115384 Hartree
60	CR(1)C13	3647	1.999090083	-10.042060700 Hartree
61	CR(1)C14	3648	1.999090259	-10.042581322 Hartree
62	CR(1)C21	3649	1.999088780	-10.044254276 Hartree
63	CR(1)C22	3650	1.999021213	-10.053326666 Hartree
64	CR(1)C23	3651	1.999063262	-10.041800831 Hartree
65	CR(1)C24	3652	1.999108088	-10.043647917 Hartree
66	CR(1)C25	3653	1.999091521	-10.044115384 Hartree
67	CR(1)C26	3654	1.999090083	-10.042060700 Hartree
68	CR(1)C27	3655	1.999090259	-10.042581322 Hartree
69	RY*(1)C1	3656	0.004880719	1.277817811 Hartree
70	RY*(2)C1	3657	0.002867123	0.718673303 Hartree
71	RY*(3)C1	3658	0.000964629	1.159864378 Hartree
72	RY*(4)C1	3659	0.000285200	1.461427165 Hartree
73	RY*(5)C1	3660	0.000240153	1.264601646 Hartree
74	RY*(6)C1	3661	0.000108773	2.355502883 Hartree
75	RY*(7)C1	3662	0.000040958	3.227940752 Hartree
76	RY*(8)C1	3663	0.000012839	2.273358907 Hartree
77	RY*(9)C1	3664	0.000007342	3.010747932 Hartree
78	RY*(10)C1	3665	0.000004383	1.754772444 Hartree
79	RY*(1)C2	3666	0.004880719	1.277817811 Hartree
80	RY*(2)C2	3667	0.002867123	0.718673303 Hartree
81	RY*(3)C2	3668	0.000964629	1.159864378 Hartree
82	RY*(4)C2	3669	0.000285200	1.461427165 Hartree
83	RY*(5)C2	3670	0.000240153	1.264601647 Hartree
84	RY*(6)C2	3671	0.000108773	2.355502883 Hartree
85	RY*(7)C2	3672	0.000040958	3.227940751 Hartree
86	RY*(8)C2	3673	0.000012839	2.273358906 Hartree
87	RY*(9)C2	3674	0.000007342	3.010747933 Hartree
88	RY*(10)C2	3675	0.000004383	1.754772444 Hartree
89	RY*(1)C3	3676	0.004460134	1.328398803 Hartree
90	RY*(2)C3	3677	0.002666267	0.872379387 Hartree
91	RY*(3)C3	3678	0.000891878	1.266644815 Hartree
92	RY*(4)C3	3679	0.000370447	1.202038627 Hartree
93	RY*(5)C3	3680	0.000286138	1.390490192 Hartree
94	RY*(6)C3	3681	0.000084656	2.506231859 Hartree
95	RY*(7)C3	3682	0.000039347	3.512437267 Hartree
96	RY*(8)C3	3683	0.000016069	2.441336548 Hartree
97	RY*(9)C3	3684	0.000012263	2.629000770 Hartree
98	RY*(10)C3	3685	0.000005896	1.733167016 Hartree
99	RY*(1)C4	3686	0.005681230	1.341691489 Hartree
100	RY*(2)C4	3687	0.004923455	1.313279739 Hartree
101	RY*(3)C4	3688	0.000951667	1.458088059 Hartree
102	RY*(4)C4	3689	0.000503866	1.241937282 Hartree
103	RY*(5)C4	3690	0.000425970	1.861603628 Hartree
104	RY*(6)C4	3691	0.000223248	1.213348169 Hartree
105	RY*(7)C4	3692	0.000102043	2.619974972 Hartree
106	RY*(8)C4	3693	0.000099347	2.588649467 Hartree
107	RY*(9)C4	3694	0.000039700	3.296935519 Hartree
108	RY*(10)C4	3695	0.000016275	2.730672930 Hartree
109	RY*(1)C5	3696	0.005681230	1.341691489 Hartree
110	RY*(2)C5	3697	0.004923455	1.313279739 Hartree
111	RY*(3)C5	3698	0.000951667	1.458088059 Hartree
112	RY*(4)C5	3699	0.000503866	1.241937282 Hartree
113	RY*(5)C5	3700	0.000425970	1.861603628 Hartree
114	RY*(6)C5	3701	0.000223248	1.213348169 Hartree
115	RY*(7)C5	3702	0.000102043	2.619974972 Hartree
116	RY*(8)C5	3703	0.000099347	2.588649467 Hartree
117	RY*(9)C5	3704	0.000039700	3.296935519 Hartree
118	RY*(10)C5	3705	0.000016275	2.730672930 Hartree
119	RY*(1)C6	3706	0.004460134	1.328398803 Hartree
120	RY*(2)C6	3707	0.002666267	0.872379387 Hartree
121	RY*(3)C6	3708	0.000891878	1.266644815 Hartree
122	RY*(4)C6	3709	0.000370447	1.202038627 Hartree
123	RY*(5)C6	3710	0.000286138	1.390490192 Hartree
124	RY*(6)C6	3711	0.000084656	2.506231859 Hartree
125	RY*(7)C6	3712	0.000039347	3.512437268 Hartree
126	RY*(8)C6	3713	0.000016069	2.441336547 Hartree
127	RY*(9)C6	3714	0.000012263	2.629000770 Hartree
128	RY*(10)C6	3715	0.000005896	1.733167016 Hartree
129	RY*(1)H7	3716	0.001215585	0.774557079 Hartree
130	RY*(1)C8	3717	0.005752500	1.253834213 Hartree
131	RY*(2)C8	3718	0.002178846	1.099055193 Hartree
132	RY*(3)C8	3719	0.000846443	1.031983782 Hartree
133	RY*(4)C8	3720	0.000548747	1.591934689 Hartree
134	RY*(5)C8	3721	0.000343926	1.291090375 Hartree
135	RY*(6)C8	3722	0.000091551	2.295457346 Hartree
136	RY*(7)C8	3723	0.000050524	3.739346110 Hartree
137	RY*(8)C8	3724	0.000022050	2.504858362 Hartree
138	RY*(9)C8	3725	0.000016955	2.499805180 Hartree
139	RY*(10)C8	3726	0.000020802	1.759829734 Hartree
140	RY*(1)C9	3727	0.005955840	1.219531880 Hartree
141	RY*(2)C9	3728	0.004864504	1.317583932 Hartree
142	RY*(3)C9	3729	0.000693237	1.833117287 Hartree
143	RY*(4)C9	3730	0.000606249	1.909781825 Hartree
144	RY*(5)C9	3731	0.000404184	1.171001062 Hartree
145	RY*(6)C9	3732	0.000299541	0.788890298 Hartree
146	RY*(7)C9	3733	0.000198178	2.551727306 Hartree
147	RY*(8)C9	3734	0.000074835	2.571837766 Hartree
148	RY*(9)C9	3735	0.000048750	3.408563011 Hartree
149	RY*(10)C9	3736	0.000011877	2.730642250 Hartree
150	RY*(1)C10	3737	0.004486509	1.319611546 Hartree
151	RY*(2)C10	3738	0.002288685	0.872478484 Hartree
152	RY*(3)C10	3739	0.000626223	0.921202177 Hartree
153	RY*(4)C10	3740	0.000557317	1.697216225 Hartree
154	RY*(5)C10	3741	0.000251572	1.162859835 Hartree
155	RY*(6)C10	3742	0.000102012	2.485044652 Hartree
156	RY*(7)C10	3743	0.000044063	3.528991254 Hartree
157	RY*(8)C10	3744	0.000017536	1.764657094 Hartree
158	RY*(9)C10	3745	0.000017302	2.477525597 Hartree
159	RY*(10)C10	3746	0.000017274	2.580692104 Hartree
160	RY*(1)C11	3747	0.005000511	1.269177731 Hartree
161	RY*(2)C11	3748	0.002870618	0.719795613 Hartree
162	RY*(3)C11	3749	0.000674774	1.950296919 Hartree
163	RY*(4)C11	3750	0.000361628	0.735633282 Hartree
164	RY*(5)C11	3751	0.000273865	1.140226617 Hartree
165	RY*(6)C11	3752	0.000106551	2.373441044 Hartree
166	RY*(7)C11	3753	0.000046088	3.431100274 Hartree
167	RY*(8)C11	3754	0.000012000	2.416772571 Hartree
168	RY*(9)C11	3755	0.000007513	2.762557927 Hartree
169	RY*(10)C11	3756	0.000002169	1.687209414 Hartree
170	RY*(1)C12	3757	0.004688818	1.281553094 Hartree
171	RY*(2)C12	3758	0.002678134	0.701766225 Hartree
172	RY*(3)C12	3759	0.000687229	1.000978027 Hartree
173	RY*(4)C12	3760	0.000574367	1.639390263 Hartree
174	RY*(5)C12	3761	0.000203038	1.166284448 Hartree
175	RY*(6)C12	3762	0.000098169	2.371406372 Hartree
176	RY*(7)C12	3763	0.000046360	3.343764406 Hartree
177	RY*(8)C12	3764	0.000012611	2.159110414 Hartree
178	RY*(9)C12	3765	0.000001311	1.730114448 Hartree
179	RY*(10)C12	3766	0.000005725	3.032483765 Hartree
180	RY*(1)C13	3767	0.004857271	1.272928745 Hartree
181	RY*(2)C13	3768	0.002957369	0.710402004 Hartree
182	RY*(3)C13	3769	0.000670045	1.905384325 Hartree
183	RY*(4)C13	3770	0.000385993	0.758014792 Hartree
184	RY*(5)C13	3771	0.000266908	1.182483825 Hartree
185	RY*(6)C13	3772	0.000102982	2.385145228 Hartree
186	RY*(7)C13	3773	0.000044896	3.447176564 Hartree
187	RY*(8)C13	3774	0.000003722	1.711175509 Hartree
188	RY*(9)C13	3775	0.000008329	3.002692176 Hartree
189	RY*(10)C13	3776	0.000012894	2.104555500 Hartree
190	RY*(1)C14	3777	0.004905772	1.296627059 Hartree
191	RY*(2)C14	3778	0.002479413	0.844351668 Hartree
192	RY*(3)C14	3779	0.000685642	1.799153357 Hartree
193	RY*(4)C14	3780	0.000487179	0.822711114 Hartree
194	RY*(5)C14	3781	0.000326030	1.066276138 Hartree
195	RY*(6)C14	3782	0.000095668	2.419068192 Hartree
196	RY*(7)C14	3783	0.000044481	3.294435071 Hartree
197	RY*(8)C14	3784	0.000015401	2.638492801 Hartree
198	RY*(9)C14	3785	0.000020805	1.752737578 Hartree
199	RY*(10)C14	3786	0.000009022	2.767982047 Hartree
200	RY*(1)H15	3787	0.001080288	0.605923869 Hartree
201	RY*(1)H16	3788	0.000868034	0.564243893 Hartree
202	RY*(1)H17	3789	0.000821869	0.562799242 Hartree
203	RY*(1)H18	3790	0.000851639	0.564678635 Hartree
204	RY*(1)H19	3791	0.000982466	0.720000922 Hartree
205	RY*(1)H20	3792	0.001596795	0.827402539 Hartree
206	RY*(1)C21	3793	0.005752500	1.253834213 Hartree
207	RY*(2)C21	3794	0.002178846	1.099055193 Hartree
208	RY*(3)C21	3795	0.000846443	1.031983782 Hartree
209	RY*(4)C21	3796	0.000548747	1.591934689 Hartree
210	RY*(5)C21	3797	0.000343926	1.291090375 Hartree
211	RY*(6)C21	3798	0.000091551	2.295457346 Hartree
212	RY*(7)C21	3799	0.000050524	3.739346109 Hartree
213	RY*(8)C21	3800	0.000022050	2.504858363 Hartree
214	RY*(9)C21	3801	0.000016955	2.499805180 Hartree
215	RY*(10)C21	3802	0.000020802	1.759829734 Hartree
216	RY*(1)C22	3803	0.005955840	1.219531880 Hartree
217	RY*(2)C22	3804	0.004864504	1.317583932 Hartree
218	RY*(3)C22	3805	0.000693237	1.833117287 Hartree
219	RY*(4)C22	3806	0.000606249	1.909781825 Hartree
220	RY*(5)C22	3807	0.000404184	1.171001062 Hartree
221	RY*(6)C22	3808	0.000299541	0.788890298 Hartree
222	RY*(7)C22	3809	0.000198178	2.551727306 Hartree
223	RY*(8)C22	3810	0.000074835	2.571837767 Hartree
224	RY*(9)C22	3811	0.000048750	3.408563010 Hartree
225	RY*(10)C22	3812	0.000011877	2.730642249 Hartree
226	RY*(1)C23	3813	0.004486509	1.319611546 Hartree
227	RY*(2)C23	3814	0.002288685	0.872478484 Hartree
228	RY*(3)C23	3815	0.000626223	0.921202177 Hartree
229	RY*(4)C23	3816	0.000557317	1.697216225 Hartree
230	RY*(5)C23	3817	0.000251572	1.162859835 Hartree
231	RY*(6)C23	3818	0.000102012	2.485044652 Hartree
232	RY*(7)C23	3819	0.000044063	3.528991254 Hartree
233	RY*(8)C23	3820	0.000017536	1.764657094 Hartree
234	RY*(9)C23	3821	0.000017302	2.477525596 Hartree
235	RY*(10)C23	3822	0.000017274	2.580692104 Hartree
236	RY*(1)C24	3823	0.005000511	1.269177731 Hartree
237	RY*(2)C24	3824	0.002870618	0.719795613 Hartree
238	RY*(3)C24	3825	0.000674774	1.950296919 Hartree
239	RY*(4)C24	3826	0.000361628	0.735633282 Hartree
240	RY*(5)C24	3827	0.000273865	1.140226617 Hartree
241	RY*(6)C24	3828	0.000106551	2.373441044 Hartree
242	RY*(7)C24	3829	0.000046088	3.431100273 Hartree
243	RY*(8)C24	3830	0.000012000	2.416772572 Hartree
244	RY*(9)C24	3831	0.000007513	2.762557927 Hartree
245	RY*(10)C24	3832	0.000002169	1.687209414 Hartree
246	RY*(1)C25	3833	0.004688818	1.281553094 Hartree
247	RY*(2)C25	3834	0.002678134	0.701766225 Hartree
248	RY*(3)C25	3835	0.000687229	1.000978027 Hartree
249	RY*(4)C25	3836	0.000574367	1.639390263 Hartree
250	RY*(5)C25	3837	0.000203038	1.166284449 Hartree
251	RY*(6)C25	3838	0.000098169	2.371406372 Hartree
252	RY*(7)C25	3839	0.000046360	3.343764405 Hartree
253	RY*(8)C25	3840	0.000012611	2.159110414 Hartree
254	RY*(9)C25	3841	0.000001311	1.730114448 Hartree
255	RY*(10)C25	3842	0.000005725	3.032483765 Hartree
256	RY*(1)C26	3843	0.004857271	1.272928745 Hartree
257	RY*(2)C26	3844	0.002957369	0.710402004 Hartree
258	RY*(3)C26	3845	0.000670045	1.905384325 Hartree
259	RY*(4)C26	3846	0.000385993	0.758014792 Hartree
260	RY*(5)C26	3847	0.000266908	1.182483825 Hartree
261	RY*(6)C26	3848	0.000102982	2.385145228 Hartree
262	RY*(7)C26	3849	0.000044896	3.447176565 Hartree
263	RY*(8)C26	3850	0.000003722	1.711175509 Hartree
264	RY*(9)C26	3851	0.000008329	3.002692175 Hartree
265	RY*(10)C26	3852	0.000012894	2.104555500 Hartree
266	RY*(1)C27	3853	0.004905772	1.296627059 Hartree
267	RY*(2)C27	3854	0.002479413	0.844351668 Hartree
268	RY*(3)C27	3855	0.000685642	1.799153357 Hartree
269	RY*(4)C27	3856	0.000487179	0.822711114 Hartree
270	RY*(5)C27	3857	0.000326030	1.066276138 Hartree
271	RY*(6)C27	3858	0.000095668	2.419068192 Hartree
272	RY*(7)C27	3859	0.000044481	3.294435069 Hartree
273	RY*(8)C27	3860	0.000015401	2.638492802 Hartree
274	RY*(9)C27	3861	0.000020805	1.752737578 Hartree
275	RY*(10)C27	3862	0.000009022	2.767982048 Hartree
276	RY*(1)H28	3863	0.001080288	0.605923869 Hartree
277	RY*(1)H29	3864	0.000868034	0.564243893 Hartree
278	RY*(1)H30	3865	0.000821869	0.562799242 Hartree
279	RY*(1)H31	3866	0.000851639	0.564678635 Hartree
280	RY*(1)H32	3867	0.000982466	0.720000922 Hartree
281	RY*(1)H33	3868	0.001596795	0.827402539 Hartree
282	RY*(1)H34	3869	0.001215585	0.774557079 Hartree
283	RY*(1)H35	3870	0.000856296	0.561593150 Hartree
284	RY*(1)H36	3871	0.000856296	0.561593150 Hartree
285	BD*(1)C1-C2		0.018454571	0.530998921 Hartree
286	BD*(1)C1-C6		0.013162798	0.649039711 Hartree
287	BD*(2)C1-C6		0.168983430	0.054156691 Hartree
288	BD*(1)C1-H36		0.012257603	0.476619467 Hartree
289	BD*(1)C2-C3		0.013162798	0.649039711 Hartree
290	BD*(2)C2-C3		0.168983430	0.054156691 Hartree
291	BD*(1)C2-H35		0.012257603	0.476619467 Hartree
292	BD*(1)C3-C4		0.024521877	0.517475452 Hartree
293	BD*(1)C3-H34		0.016008494	0.510599865 Hartree
294	BD*(1)C4-C5		0.030677609	0.455389546 Hartree
295	BD*(1)C4-C21		0.017738740	0.633030645 Hartree
296	BD*(2)C4-C21		0.242232288	0.052048337 Hartree
297	BD*(1)C5-C6		0.024521877	0.517475452 Hartree
298	BD*(1)C5-C8		0.017738740	0.633030646 Hartree
299	BD*(2)C5-C8		0.242232288	0.052048337 Hartree
300	BD*(1)C6-H7		0.016008494	0.510599865 Hartree
301	BD*(1)C8-C9		0.021917315	0.511176037 Hartree
302	BD*(1)C8-H20		0.015687135	0.480924863 Hartree
303	BD*(1)C9-C10		0.025736661	0.566546541 Hartree
304	BD*(1)C9-C14		0.020093434	0.554520818 Hartree
305	BD*(2)C9-C14		0.399107938	0.036473464 Hartree
306	BD*(1)C10-C11		0.014442975	0.594665989 Hartree
307	BD*(2)C10-C11		0.310561043	0.041154864 Hartree
308	BD*(1)C10-H19		0.014837594	0.499214412 Hartree
309	BD*(1)C11-C12		0.015885528	0.584170119 Hartree
310	BD*(1)C11-H18		0.011969201	0.476810065 Hartree
311	BD*(1)C12-C13		0.015944627	0.584410977 Hartree
312	BD*(2)C12-C13		0.345220345	0.039525603 Hartree
313	BD*(1)C12-H17		0.012180798	0.478010570 Hartree
314	BD*(1)C13-C14		0.014190820	0.598263750 Hartree
315	BD*(1)C13-H16		0.012328608	0.476754864 Hartree
316	BD*(1)C14-H15		0.012769166	0.472159189 Hartree
317	BD*(1)C21-C22		0.021917315	0.511176037 Hartree
318	BD*(1)C21-H33		0.015687135	0.480924863 Hartree
319	BD*(1)C22-C23		0.025736661	0.566546541 Hartree
320	BD*(1)C22-C27		0.020093434	0.554520818 Hartree
321	BD*(2)C22-C27		0.399107938	0.036473464 Hartree
322	BD*(1)C23-C24		0.014442975	0.594665989 Hartree
323	BD*(2)C23-C24		0.310561043	0.041154864 Hartree
324	BD*(1)C23-H32		0.014837594	0.499214412 Hartree
325	BD*(1)C24-C25		0.015885528	0.584170119 Hartree
326	BD*(1)C24-H31		0.011969201	0.476810065 Hartree
327	BD*(1)C25-C26		0.015944627	0.584410977 Hartree
328	BD*(2)C25-C26		0.345220345	0.039525603 Hartree
329	BD*(1)C25-H30		0.012180798	0.478010570 Hartree
330	BD*(1)C26-C27		0.014190820	0.598263750 Hartree
331	BD*(1)C26-H29		0.012328608	0.476754864 Hartree
332	BD*(1)C27-H28		0.012769166	0.472159189 Hartree

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LIFE IS A CONTINUAL STRUGGLE AGAINST THE TENDENCY TO PRODUCE ENTROPY.

WebMO Job Summary

610655: C20H16, Natural Bond Orbitals - Gaussian

Calculated Quantities

Overview

Rotational Constants

Molecular Orbitals

Natural Population Analysis

Natural Atomic Orbitals

Natural Hybrid Orbitals

Natural Bond Orbitals

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