WebMO Job Summary

Overview

Quantity	Value
Route	#N M062X/6-311+G(2d,p) SP GFINPUT POP=(FULL,NBO6Read) Geom=Connectivit
Stoichiometry	C₁₂H₁₀
Symmetry	D2
Basis	6-311+G(2d,p)
RM062X Energy	-463.231304204 Hartree
Dipole Moment	0.0000 Debye
Server	batch (127469)
CPU time	1563.2 sec

Rotational Constants

Constant	Frequency (GHz)	Frequency (cm^-1)
a	2.8860442	0.09626807223
b	0.5511593	0.01838469532
c	0.4814438	0.01605923655

Partial Charges

Atom	Symbol	Charge
1	C	-0.168710
2	C	-0.249259
3	C	-0.168710
4	C	-0.482647
5	C	0.914168
6	C	-0.482647
7	H	0.133606
8	C	0.914168
9	C	-0.482647
10	C	-0.168710
11	C	-0.249259
12	C	-0.168710
13	C	-0.482647
14	H	0.133606
15	H	0.123241
16	H	0.124113
17	H	0.123241
18	H	0.133606
19	H	0.133606
20	H	0.123241
21	H	0.124113
22	H	0.123241

Molecular Orbitals

Display Range		- / 382
Orbital	Symmetry	Occupancy	Energy	Actions
1	A	2	-10.55458 Hartree
2	B1	2	-10.55409 Hartree
3	B1	2	-10.54439 Hartree
4	A	2	-10.54439 Hartree
5	B3	2	-10.54426 Hartree
6	B2	2	-10.54426 Hartree
7	B1	2	-10.54345 Hartree
8	A	2	-10.54345 Hartree
9	B3	2	-10.54334 Hartree
10	B2	2	-10.54334 Hartree
11	A	2	-10.54265 Hartree
12	B1	2	-10.54265 Hartree
13	A	2	-0.98119 Hartree
14	B1	2	-0.95717 Hartree
15	A	2	-0.88075 Hartree
16	B2	2	-0.85172 Hartree
17	B3	2	-0.84368 Hartree
18	B1	2	-0.81904 Hartree
19	A	2	-0.71242 Hartree
20	B2	2	-0.70681 Hartree
21	B3	2	-0.67759 Hartree
22	B1	2	-0.66174 Hartree
23	A	2	-0.61368 Hartree
24	B1	2	-0.57720 Hartree
25	A	2	-0.54455 Hartree
26	B2	2	-0.53726 Hartree
27	B1	2	-0.51331 Hartree
28	B3	2	-0.50912 Hartree
29	B2	2	-0.49525 Hartree
30	A	2	-0.48958 Hartree
31	B3	2	-0.48770 Hartree
32	B3	2	-0.45205 Hartree
33	B2	2	-0.43369 Hartree
34	B1	2	-0.43011 Hartree
35	B2	2	-0.41409 Hartree
36	B3	2	-0.39692 Hartree
37	A	2	-0.39662 Hartree
38	B3	2	-0.33566 Hartree
39	A	2	-0.31113 Hartree
40	B1	2	-0.31102 Hartree
41	B2	2	-0.28133 Hartree
42	B3	0	-0.00762 Hartree
43	A	0	0.00971 Hartree
44	B1	0	0.01385 Hartree
45	A	0	0.01708 Hartree
46	B1	0	0.01934 Hartree
47	B2	0	0.02279 Hartree
48	A	0	0.03417 Hartree
49	B3	0	0.03536 Hartree
50	B2	0	0.04542 Hartree
51	B3	0	0.05021 Hartree
52	B1	0	0.05078 Hartree
53	B2	0	0.05328 Hartree
54	A	0	0.06247 Hartree
55	B1	0	0.06881 Hartree
56	B2	0	0.07787 Hartree
57	A	0	0.08321 Hartree
58	B3	0	0.08548 Hartree
59	B3	0	0.10159 Hartree
60	B1	0	0.10213 Hartree
61	A	0	0.11107 Hartree
62	B2	0	0.11519 Hartree
63	B1	0	0.11898 Hartree
64	B2	0	0.12472 Hartree
65	B3	0	0.13595 Hartree
66	A	0	0.13991 Hartree
67	B3	0	0.14338 Hartree
68	B2	0	0.14609 Hartree
69	B1	0	0.15166 Hartree
70	A	0	0.15899 Hartree
71	B3	0	0.16138 Hartree
72	B2	0	0.16786 Hartree
73	B2	0	0.17461 Hartree
74	A	0	0.18197 Hartree
75	B1	0	0.18382 Hartree
76	B1	0	0.18809 Hartree
77	B3	0	0.18876 Hartree
78	A	0	0.20285 Hartree
79	B2	0	0.20434 Hartree
80	B1	0	0.20970 Hartree
81	B3	0	0.21528 Hartree
82	B1	0	0.21781 Hartree
83	A	0	0.22071 Hartree
84	B2	0	0.22227 Hartree
85	B3	0	0.22444 Hartree
86	B2	0	0.23267 Hartree
87	A	0	0.23775 Hartree
88	B1	0	0.23812 Hartree
89	B2	0	0.24246 Hartree
90	B3	0	0.24503 Hartree
91	A	0	0.25158 Hartree
92	B3	0	0.25497 Hartree
93	B1	0	0.25761 Hartree
94	B3	0	0.25818 Hartree
95	B1	0	0.26892 Hartree
96	A	0	0.27406 Hartree
97	B2	0	0.27547 Hartree
98	B3	0	0.28118 Hartree
99	B2	0	0.29240 Hartree
100	B3	0	0.29354 Hartree
101	A	0	0.29977 Hartree
102	B1	0	0.30507 Hartree
103	B2	0	0.31212 Hartree
104	B1	0	0.31851 Hartree
105	A	0	0.33687 Hartree
106	B2	0	0.34684 Hartree
107	A	0	0.36124 Hartree
108	B3	0	0.36359 Hartree
109	B2	0	0.36505 Hartree
110	B1	0	0.38827 Hartree
111	B1	0	0.40835 Hartree
112	B3	0	0.41538 Hartree
113	A	0	0.46057 Hartree
114	B1	0	0.49068 Hartree
115	B2	0	0.52241 Hartree
116	B3	0	0.52630 Hartree
117	A	0	0.53042 Hartree
118	B2	0	0.53123 Hartree
119	B1	0	0.54400 Hartree
120	B3	0	0.54441 Hartree
121	B3	0	0.55260 Hartree
122	B2	0	0.55693 Hartree
123	A	0	0.56092 Hartree
124	B1	0	0.56140 Hartree
125	A	0	0.57594 Hartree
126	B2	0	0.58277 Hartree
127	B3	0	0.58680 Hartree
128	B1	0	0.58893 Hartree
129	B3	0	0.59540 Hartree
130	B2	0	0.59835 Hartree
131	B1	0	0.61092 Hartree
132	A	0	0.62284 Hartree
133	B2	0	0.62599 Hartree
134	B2	0	0.62818 Hartree
135	A	0	0.64931 Hartree
136	B3	0	0.65675 Hartree
137	A	0	0.66632 Hartree
138	B1	0	0.67163 Hartree
139	B3	0	0.67344 Hartree
140	A	0	0.67638 Hartree
141	B2	0	0.68532 Hartree
142	B3	0	0.68700 Hartree
143	B1	0	0.69345 Hartree
144	B2	0	0.69914 Hartree
145	B1	0	0.70241 Hartree
146	B3	0	0.71015 Hartree
147	A	0	0.71303 Hartree
148	B1	0	0.73035 Hartree
149	B3	0	0.74511 Hartree
150	A	0	0.75576 Hartree
151	B2	0	0.76737 Hartree
152	B1	0	0.76903 Hartree
153	A	0	0.77280 Hartree
154	B2	0	0.77513 Hartree
155	B3	0	0.79611 Hartree
156	B1	0	0.80663 Hartree
157	B1	0	0.80967 Hartree
158	A	0	0.81149 Hartree
159	B3	0	0.82861 Hartree
160	A	0	0.83520 Hartree
161	B2	0	0.83563 Hartree
162	B3	0	0.83728 Hartree
163	B1	0	0.84283 Hartree
164	B2	0	0.85267 Hartree
165	A	0	0.85336 Hartree
166	B1	0	0.85595 Hartree
167	B3	0	0.85635 Hartree
168	B2	0	0.86894 Hartree
169	B1	0	0.87305 Hartree
170	A	0	0.87736 Hartree
171	A	0	0.87781 Hartree
172	B2	0	0.90770 Hartree
173	B3	0	0.90981 Hartree
174	B1	0	0.91393 Hartree
175	A	0	0.91792 Hartree
176	A	0	0.95999 Hartree
177	B2	0	0.96297 Hartree
178	B3	0	0.96437 Hartree
179	B1	0	0.97712 Hartree
180	B1	0	1.01112 Hartree
181	B3	0	1.01741 Hartree
182	B3	0	1.06122 Hartree
183	B1	0	1.07194 Hartree
184	B2	0	1.07771 Hartree
185	A	0	1.11983 Hartree
186	B2	0	1.11988 Hartree
187	A	0	1.15899 Hartree
188	B3	0	1.17161 Hartree
189	B1	0	1.18613 Hartree
190	B2	0	1.18720 Hartree
191	A	0	1.20161 Hartree
192	B1	0	1.22965 Hartree
193	B3	0	1.23159 Hartree
194	B2	0	1.23212 Hartree
195	A	0	1.25613 Hartree
196	B1	0	1.27796 Hartree
197	B2	0	1.27986 Hartree
198	A	0	1.31437 Hartree
199	B3	0	1.32664 Hartree
200	B3	0	1.34143 Hartree
201	B1	0	1.35710 Hartree
202	B2	0	1.35766 Hartree
203	A	0	1.36443 Hartree
204	B3	0	1.38217 Hartree
205	A	0	1.39065 Hartree
206	B2	0	1.40033 Hartree
207	B3	0	1.40167 Hartree
208	B1	0	1.40959 Hartree
209	B1	0	1.42439 Hartree
210	B2	0	1.42981 Hartree
211	A	0	1.43722 Hartree
212	B2	0	1.45394 Hartree
213	B1	0	1.47866 Hartree
214	B3	0	1.49484 Hartree
215	B1	0	1.51699 Hartree
216	A	0	1.51996 Hartree
217	B3	0	1.52865 Hartree
218	B2	0	1.57808 Hartree
219	B1	0	1.57982 Hartree
220	B3	0	1.59941 Hartree
221	A	0	1.59942 Hartree
222	B2	0	1.60134 Hartree
223	B1	0	1.62574 Hartree
224	A	0	1.62931 Hartree
225	B2	0	1.64254 Hartree
226	B3	0	1.66692 Hartree
227	B2	0	1.71392 Hartree
228	B3	0	1.71583 Hartree
229	A	0	1.72232 Hartree
230	B1	0	1.75460 Hartree
231	B2	0	1.77009 Hartree
232	A	0	1.80251 Hartree
233	B1	0	1.81137 Hartree
234	B1	0	1.82110 Hartree
235	A	0	1.82398 Hartree
236	B3	0	1.86039 Hartree
237	B1	0	1.94408 Hartree
238	A	0	1.99321 Hartree
239	B3	0	1.99510 Hartree
240	B2	0	2.00164 Hartree
241	B1	0	2.03022 Hartree
242	A	0	2.04336 Hartree
243	B2	0	2.14851 Hartree
244	B3	0	2.15557 Hartree
245	B2	0	2.25457 Hartree
246	A	0	2.26567 Hartree
247	B3	0	2.27192 Hartree
248	B1	0	2.28300 Hartree
249	B1	0	2.36691 Hartree
250	A	0	2.37118 Hartree
251	B3	0	2.39393 Hartree
252	B2	0	2.39656 Hartree
253	B3	0	2.50794 Hartree
254	B2	0	2.53689 Hartree
255	A	0	2.57254 Hartree
256	B1	0	2.65879 Hartree
257	B1	0	2.67503 Hartree
258	B2	0	2.68230 Hartree
259	B3	0	2.68263 Hartree
260	A	0	2.68989 Hartree
261	B3	0	2.73194 Hartree
262	B2	0	2.73240 Hartree
263	B1	0	2.75547 Hartree
264	A	0	2.76405 Hartree
265	B3	0	2.77052 Hartree
266	A	0	2.77614 Hartree
267	B2	0	2.78151 Hartree
268	B3	0	2.78399 Hartree
269	B1	0	2.78610 Hartree
270	B2	0	2.85139 Hartree
271	A	0	2.89985 Hartree
272	B1	0	2.90433 Hartree
273	B3	0	2.91425 Hartree
274	B2	0	2.91890 Hartree
275	A	0	2.91974 Hartree
276	B1	0	2.92232 Hartree
277	B3	0	2.95215 Hartree
278	B1	0	2.96320 Hartree
279	A	0	2.97231 Hartree
280	B2	0	3.00891 Hartree
281	B2	0	3.02596 Hartree
282	B3	0	3.02857 Hartree
283	B2	0	3.06581 Hartree
284	B1	0	3.08654 Hartree
285	A	0	3.08899 Hartree
286	A	0	3.13261 Hartree
287	B3	0	3.14370 Hartree
288	B2	0	3.16516 Hartree
289	B3	0	3.16843 Hartree
290	B3	0	3.19331 Hartree
291	B2	0	3.19897 Hartree
292	A	0	3.20527 Hartree
293	B1	0	3.20570 Hartree
294	B3	0	3.24516 Hartree
295	B2	0	3.25009 Hartree
296	A	0	3.25951 Hartree
297	B1	0	3.26507 Hartree
298	A	0	3.28316 Hartree
299	B1	0	3.29063 Hartree
300	B3	0	3.30079 Hartree
301	B2	0	3.30717 Hartree
302	A	0	3.31346 Hartree
303	B1	0	3.33258 Hartree
304	B1	0	3.35555 Hartree
305	A	0	3.36018 Hartree
306	B3	0	3.36470 Hartree
307	B2	0	3.36990 Hartree
308	B1	0	3.38926 Hartree
309	B2	0	3.41462 Hartree
310	B3	0	3.44041 Hartree
311	A	0	3.48008 Hartree
312	B2	0	3.51023 Hartree
313	B1	0	3.51048 Hartree
314	A	0	3.52039 Hartree
315	B1	0	3.53707 Hartree
316	A	0	3.53946 Hartree
317	B2	0	3.55164 Hartree
318	B3	0	3.55779 Hartree
319	B3	0	3.57873 Hartree
320	A	0	3.58100 Hartree
321	B1	0	3.59418 Hartree
322	B2	0	3.60267 Hartree
323	B3	0	3.61600 Hartree
324	B1	0	3.62180 Hartree
325	A	0	3.62331 Hartree
326	B3	0	3.62807 Hartree
327	B3	0	3.64268 Hartree
328	B2	0	3.64363 Hartree
329	B2	0	3.67595 Hartree
330	A	0	3.70458 Hartree
331	B3	0	3.70951 Hartree
332	B2	0	3.71867 Hartree
333	A	0	3.75300 Hartree
334	B1	0	3.77193 Hartree
335	B2	0	3.77926 Hartree
336	B1	0	3.78499 Hartree
337	B3	0	3.78661 Hartree
338	A	0	3.79153 Hartree
339	B1	0	3.79690 Hartree
340	B2	0	3.86405 Hartree
341	A	0	3.86820 Hartree
342	B1	0	3.87782 Hartree
343	A	0	3.90246 Hartree
344	B1	0	3.90793 Hartree
345	B3	0	3.91253 Hartree
346	B2	0	3.93524 Hartree
347	B1	0	3.93557 Hartree
348	B3	0	3.94676 Hartree
349	B2	0	3.95562 Hartree
350	A	0	3.95637 Hartree
351	A	0	3.97590 Hartree
352	B1	0	3.99033 Hartree
353	B3	0	4.00297 Hartree
354	B1	0	4.08286 Hartree
355	A	0	4.10075 Hartree
356	B3	0	4.13386 Hartree
357	B1	0	4.14951 Hartree
358	B2	0	4.15939 Hartree
359	A	0	4.39347 Hartree
360	B3	0	4.53430 Hartree
361	B2	0	4.53882 Hartree
362	B1	0	4.59359 Hartree
363	A	0	4.61622 Hartree
364	B1	0	4.69697 Hartree
365	A	0	4.78893 Hartree
366	B3	0	4.82943 Hartree
367	B2	0	4.83076 Hartree
368	B1	0	5.10401 Hartree
369	B3	0	5.30287 Hartree
370	B2	0	5.30860 Hartree
371	A	0	23.71806 Hartree
372	B1	0	23.84396 Hartree
373	B1	0	24.02410 Hartree
374	B2	0	24.08815 Hartree
375	B3	0	24.09656 Hartree
376	A	0	24.11785 Hartree
377	B1	0	24.16893 Hartree
378	B2	0	24.17202 Hartree
379	A	0	24.21167 Hartree
380	B1	0	24.21549 Hartree
381	B3	0	24.22918 Hartree
382	A	0	24.34675 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom	Symbol	Charge
1	C	-0.20267
2	C	-0.21111
3	C	-0.20267
4	C	-0.19709
5	C	-0.05593
6	C	-0.19709
7	H	0.21488
8	C	-0.05593
9	C	-0.19709
10	C	-0.20267
11	C	-0.21111
12	C	-0.20267
13	C	-0.19709
14	H	0.21488
15	H	0.21237
16	H	0.21207
17	H	0.21237
18	H	0.21488
19	H	0.21488
20	H	0.21237
21	H	0.21207
22	H	0.21237

Natural Atomic Orbitals

Display Range		- / 384
Orbital	Description	Occupancy	Energy	Actions
1	C1 Cor(1s)	1.999993607	-10.543931276 Hartree
2	C1 Val(2s)	0.948633588	-0.096158000 Hartree
3	C1 Ryd(3s)	0.000931222	1.303660283 Hartree
4	C1 Ryd(4s)	0.000012046	1.691202586 Hartree
5	C1 Ryd(5s)	0.000005200	19.173161574 Hartree
6	C1 Val(2p)	1.012125879	-0.103761037 Hartree
7	C1 Ryd(3p)	0.001713357	0.709954365 Hartree
8	C1 Ryd(4p)	0.000272002	0.304590829 Hartree
9	C1 Ryd(5p)	0.000023724	2.918554280 Hartree
10	C1 Val(2p)	1.131432742	-0.057125331 Hartree
11	C1 Ryd(3p)	0.005138488	1.092224140 Hartree
12	C1 Ryd(4p)	0.000188502	0.381477011 Hartree
13	C1 Ryd(5p)	0.000058230	3.547363561 Hartree
14	C1 Val(2p)	1.092859431	-0.030533245 Hartree
15	C1 Ryd(3p)	0.004525265	0.906775575 Hartree
16	C1 Ryd(4p)	0.000192647	0.900041220 Hartree
17	C1 Ryd(5p)	0.000119533	3.538729132 Hartree
18	C1 Ryd(3d)	0.000650492	1.692023923 Hartree
19	C1 Ryd(4d)	0.000067071	3.207220906 Hartree
20	C1 Ryd(3d)	0.000387676	1.598555277 Hartree
21	C1 Ryd(4d)	0.000117730	3.174080863 Hartree
22	C1 Ryd(3d)	0.000582593	2.242679431 Hartree
23	C1 Ryd(4d)	0.000471521	3.692100208 Hartree
24	C1 Ryd(3d)	0.000781989	1.754948111 Hartree
25	C1 Ryd(4d)	0.000080163	3.277272287 Hartree
26	C1 Ryd(3d)	0.001008259	2.378749207 Hartree
27	C1 Ryd(4d)	0.000301890	3.672122772 Hartree
28	C2 Cor(1s)	1.999993660	-10.542899989 Hartree
29	C2 Val(2s)	0.951525344	-0.096911486 Hartree
30	C2 Ryd(3s)	0.000968638	1.215571171 Hartree
31	C2 Ryd(4s)	0.000007207	5.526784675 Hartree
32	C2 Ryd(5s)	0.000002477	18.256852572 Hartree
33	C2 Val(2p)	1.007209207	-0.100957853 Hartree
34	C2 Ryd(3p)	0.001623065	0.629085609 Hartree
35	C2 Ryd(4p)	0.000339092	0.345660439 Hartree
36	C2 Ryd(5p)	0.000027071	2.857438616 Hartree
37	C2 Val(2p)	1.057291599	-0.032775754 Hartree
38	C2 Ryd(3p)	0.003178784	0.771941961 Hartree
39	C2 Ryd(4p)	0.000314542	0.693925236 Hartree
40	C2 Ryd(5p)	0.000105984	3.337414206 Hartree
41	C2 Val(2p)	1.177831329	-0.058498608 Hartree
42	C2 Ryd(3p)	0.005946384	1.232147772 Hartree
43	C2 Ryd(4p)	0.000229597	0.301824379 Hartree
44	C2 Ryd(5p)	0.000040538	3.739946971 Hartree
45	C2 Ryd(3d)	0.000685295	1.914349036 Hartree
46	C2 Ryd(4d)	0.000130746	3.267202483 Hartree
47	C2 Ryd(3d)	0.000433611	1.659275492 Hartree
48	C2 Ryd(4d)	0.000043878	3.052413625 Hartree
49	C2 Ryd(3d)	0.000804555	2.187062185 Hartree
50	C2 Ryd(4d)	0.000222495	3.640854245 Hartree
51	C2 Ryd(3d)	0.000857208	2.049195866 Hartree
52	C2 Ryd(4d)	0.000145601	3.326284089 Hartree
53	C2 Ryd(3d)	0.000661739	1.949830291 Hartree
54	C2 Ryd(4d)	0.000486668	3.697822416 Hartree
55	C3 Cor(1s)	1.999993607	-10.543931276 Hartree
56	C3 Val(2s)	0.948633588	-0.096158000 Hartree
57	C3 Ryd(3s)	0.000931222	1.303660287 Hartree
58	C3 Ryd(4s)	0.000012046	1.691174451 Hartree
59	C3 Ryd(5s)	0.000005200	19.173190189 Hartree
60	C3 Val(2p)	1.012125879	-0.103761037 Hartree
61	C3 Ryd(3p)	0.001713357	0.709954366 Hartree
62	C3 Ryd(4p)	0.000272002	0.304590823 Hartree
63	C3 Ryd(5p)	0.000023724	2.918554282 Hartree
64	C3 Val(2p)	1.131432742	-0.057125331 Hartree
65	C3 Ryd(3p)	0.005138488	1.092224141 Hartree
66	C3 Ryd(4p)	0.000188502	0.381476989 Hartree
67	C3 Ryd(5p)	0.000058230	3.547363564 Hartree
68	C3 Val(2p)	1.092859431	-0.030533245 Hartree
69	C3 Ryd(3p)	0.004525265	0.906775560 Hartree
70	C3 Ryd(4p)	0.000192647	0.900041137 Hartree
71	C3 Ryd(5p)	0.000119533	3.538729134 Hartree
72	C3 Ryd(3d)	0.000650492	1.692023923 Hartree
73	C3 Ryd(4d)	0.000067071	3.207220906 Hartree
74	C3 Ryd(3d)	0.000387676	1.598555277 Hartree
75	C3 Ryd(4d)	0.000117730	3.174080862 Hartree
76	C3 Ryd(3d)	0.000582593	2.242679430 Hartree
77	C3 Ryd(4d)	0.000471521	3.692100208 Hartree
78	C3 Ryd(3d)	0.000781989	1.754948110 Hartree
79	C3 Ryd(4d)	0.000080163	3.277272286 Hartree
80	C3 Ryd(3d)	0.001008259	2.378749205 Hartree
81	C3 Ryd(4d)	0.000301890	3.672122771 Hartree
82	C4 Cor(1s)	1.999993352	-10.543567665 Hartree
83	C4 Val(2s)	0.938401776	-0.086707886 Hartree
84	C4 Ryd(3s)	0.001030485	1.301882854 Hartree
85	C4 Ryd(4s)	0.000028007	16.120857695 Hartree
86	C4 Ryd(5s)	0.000009804	4.724320011 Hartree
87	C4 Val(2p)	1.018486556	-0.103562340 Hartree
88	C4 Ryd(3p)	0.001462988	0.731576585 Hartree
89	C4 Ryd(4p)	0.000328155	0.374318446 Hartree
90	C4 Ryd(5p)	0.000039526	2.980490375 Hartree
91	C4 Val(2p)	1.125134632	-0.054725236 Hartree
92	C4 Ryd(3p)	0.004635586	1.045826208 Hartree
93	C4 Ryd(4p)	0.000256139	0.718497610 Hartree
94	C4 Ryd(5p)	0.000055841	3.535991400 Hartree
95	C4 Val(2p)	1.098506514	-0.034196001 Hartree
96	C4 Ryd(3p)	0.003716299	1.004229691 Hartree
97	C4 Ryd(5p)	0.000170547	0.936920700 Hartree
98	C4 Ryd(4p)	0.000171955	3.662312423 Hartree
99	C4 Ryd(3d)	0.000715691	1.672757596 Hartree
100	C4 Ryd(4d)	0.000072317	3.304694184 Hartree
101	C4 Ryd(3d)	0.000361085	1.548785306 Hartree
102	C4 Ryd(4d)	0.000137660	3.271487468 Hartree
103	C4 Ryd(3d)	0.000685246	2.157804393 Hartree
104	C4 Ryd(4d)	0.000503797	3.761994793 Hartree
105	C4 Ryd(3d)	0.000866227	1.727698893 Hartree
106	C4 Ryd(4d)	0.000083887	3.363576180 Hartree
107	C4 Ryd(3d)	0.001009286	2.399961484 Hartree
108	C4 Ryd(4d)	0.000224516	3.736707474 Hartree
109	C5 Cor(1s)	1.999993064	-10.554257387 Hartree
110	C5 Val(2s)	0.870578900	-0.048704194 Hartree
111	C5 Ryd(3s)	0.000504003	2.129271902 Hartree
112	C5 Ryd(4s)	0.000109731	10.917764339 Hartree
113	C5 Ryd(5s)	0.000011502	5.737901818 Hartree
114	C5 Val(2p)	1.011755415	-0.096502277 Hartree
115	C5 Ryd(3p)	0.001721971	0.717376137 Hartree
116	C5 Ryd(5p)	0.000124837	1.728926398 Hartree
117	C5 Ryd(4p)	0.000162384	1.721064176 Hartree
118	C5 Val(2p)	1.086870405	-0.042671053 Hartree
119	C5 Ryd(3p)	0.004355296	1.061673930 Hartree
120	C5 Ryd(4p)	0.000268393	2.511769591 Hartree
121	C5 Ryd(5p)	0.000091880	2.236828562 Hartree
122	C5 Val(2p)	1.067379240	-0.024772646 Hartree
123	C5 Ryd(3p)	0.006710882	1.234671641 Hartree
124	C5 Ryd(4p)	0.000260327	2.798208481 Hartree
125	C5 Ryd(5p)	0.000201607	2.590292122 Hartree
126	C5 Ryd(3d)	0.000564225	1.810154948 Hartree
127	C5 Ryd(4d)	0.000205904	3.530638206 Hartree
128	C5 Ryd(3d)	0.000452866	1.483612377 Hartree
129	C5 Ryd(4d)	0.000142585	3.527414101 Hartree
130	C5 Ryd(4d)	0.000469066	2.622507383 Hartree
131	C5 Ryd(3d)	0.000576571	3.808589944 Hartree
132	C5 Ryd(3d)	0.000804319	1.965908071 Hartree
133	C5 Ryd(4d)	0.000215742	3.568167771 Hartree
134	C5 Ryd(3d)	0.000829180	2.314479564 Hartree
135	C5 Ryd(4d)	0.000571117	3.736732764 Hartree
136	C6 Cor(1s)	1.999993352	-10.543567665 Hartree
137	C6 Val(2s)	0.938401776	-0.086707886 Hartree
138	C6 Ryd(3s)	0.001030485	1.301882834 Hartree
139	C6 Ryd(4s)	0.000028007	16.120864480 Hartree
140	C6 Ryd(5s)	0.000009804	4.724297798 Hartree
141	C6 Val(2p)	1.018486556	-0.103562340 Hartree
142	C6 Ryd(3p)	0.001462988	0.731576585 Hartree
143	C6 Ryd(4p)	0.000328155	0.374318454 Hartree
144	C6 Ryd(5p)	0.000039526	2.980490375 Hartree
145	C6 Val(2p)	1.125134632	-0.054725236 Hartree
146	C6 Ryd(3p)	0.004635586	1.045826206 Hartree
147	C6 Ryd(4p)	0.000256139	0.718497599 Hartree
148	C6 Ryd(5p)	0.000055841	3.535991402 Hartree
149	C6 Val(2p)	1.098506514	-0.034196001 Hartree
150	C6 Ryd(3p)	0.003716299	1.004229707 Hartree
151	C6 Ryd(5p)	0.000170547	0.936920847 Hartree
152	C6 Ryd(4p)	0.000171955	3.662312429 Hartree
153	C6 Ryd(3d)	0.000715691	1.672757595 Hartree
154	C6 Ryd(4d)	0.000072317	3.304694183 Hartree
155	C6 Ryd(3d)	0.000361085	1.548785306 Hartree
156	C6 Ryd(4d)	0.000137660	3.271487468 Hartree
157	C6 Ryd(3d)	0.000685246	2.157804392 Hartree
158	C6 Ryd(4d)	0.000503797	3.761994793 Hartree
159	C6 Ryd(3d)	0.000866227	1.727698892 Hartree
160	C6 Ryd(4d)	0.000083887	3.363576180 Hartree
161	C6 Ryd(3d)	0.001009286	2.399961486 Hartree
162	C6 Ryd(4d)	0.000224516	3.736707474 Hartree
163	H7 Val(1s)	0.783495685	0.080415264 Hartree
164	H7 Ryd(2s)	0.000661507	0.812196460 Hartree
165	H7 Ryd(3s)	0.000149280	2.410487460 Hartree
166	H7 Ryd(2p)	0.000166734	1.970880713 Hartree
167	H7 Ryd(2p)	0.000462397	2.451746614 Hartree
168	H7 Ryd(2p)	0.000187114	2.374131632 Hartree
169	C8 Cor(1s)	1.999993064	-10.554257387 Hartree
170	C8 Val(2s)	0.870578900	-0.048704193 Hartree
171	C8 Ryd(3s)	0.000504003	2.129272126 Hartree
172	C8 Ryd(4s)	0.000109731	10.917760986 Hartree
173	C8 Ryd(5s)	0.000011502	5.737913213 Hartree
174	C8 Val(2p)	1.011755415	-0.096502277 Hartree
175	C8 Ryd(3p)	0.001721971	0.717376139 Hartree
176	C8 Ryd(5p)	0.000124837	1.728926436 Hartree
177	C8 Ryd(4p)	0.000162384	1.721064174 Hartree
178	C8 Val(2p)	1.086870405	-0.042671053 Hartree
179	C8 Ryd(3p)	0.004355296	1.061673941 Hartree
180	C8 Ryd(4p)	0.000268393	2.511769671 Hartree
181	C8 Ryd(5p)	0.000091880	2.236828688 Hartree
182	C8 Val(2p)	1.067379240	-0.024772646 Hartree
183	C8 Ryd(3p)	0.006710882	1.234671632 Hartree
184	C8 Ryd(4p)	0.000260327	2.798208449 Hartree
185	C8 Ryd(5p)	0.000201607	2.590291959 Hartree
186	C8 Ryd(3d)	0.000564225	1.810154948 Hartree
187	C8 Ryd(4d)	0.000205904	3.530638207 Hartree
188	C8 Ryd(3d)	0.000452866	1.483612378 Hartree
189	C8 Ryd(4d)	0.000142585	3.527414101 Hartree
190	C8 Ryd(4d)	0.000469066	2.622507387 Hartree
191	C8 Ryd(3d)	0.000576571	3.808589944 Hartree
192	C8 Ryd(3d)	0.000804319	1.965908070 Hartree
193	C8 Ryd(4d)	0.000215742	3.568167770 Hartree
194	C8 Ryd(3d)	0.000829180	2.314479564 Hartree
195	C8 Ryd(4d)	0.000571117	3.736732764 Hartree
196	C9 Cor(1s)	1.999993352	-10.543567665 Hartree
197	C9 Val(2s)	0.938401776	-0.086707886 Hartree
198	C9 Ryd(3s)	0.001030485	1.301882858 Hartree
199	C9 Ryd(4s)	0.000028007	16.120910003 Hartree
200	C9 Ryd(5s)	0.000009804	4.724277037 Hartree
201	C9 Val(2p)	1.018486556	-0.103562340 Hartree
202	C9 Ryd(3p)	0.001462988	0.731576585 Hartree
203	C9 Ryd(4p)	0.000328155	0.374318449 Hartree
204	C9 Ryd(5p)	0.000039526	2.980490375 Hartree
205	C9 Val(2p)	1.125134632	-0.054725236 Hartree
206	C9 Ryd(3p)	0.004635586	1.045826208 Hartree
207	C9 Ryd(4p)	0.000256139	0.718497633 Hartree
208	C9 Ryd(5p)	0.000055841	3.535991402 Hartree
209	C9 Val(2p)	1.098506514	-0.034196001 Hartree
210	C9 Ryd(3p)	0.003716299	1.004229713 Hartree
211	C9 Ryd(5p)	0.000170547	0.936920901 Hartree
212	C9 Ryd(4p)	0.000171955	3.662312426 Hartree
213	C9 Ryd(3d)	0.000715691	1.672757596 Hartree
214	C9 Ryd(4d)	0.000072317	3.304694183 Hartree
215	C9 Ryd(3d)	0.000361085	1.548785306 Hartree
216	C9 Ryd(4d)	0.000137660	3.271487468 Hartree
217	C9 Ryd(3d)	0.000685246	2.157804392 Hartree
218	C9 Ryd(4d)	0.000503797	3.761994793 Hartree
219	C9 Ryd(3d)	0.000866227	1.727698893 Hartree
220	C9 Ryd(4d)	0.000083887	3.363576180 Hartree
221	C9 Ryd(3d)	0.001009286	2.399961484 Hartree
222	C9 Ryd(4d)	0.000224516	3.736707474 Hartree
223	C10 Cor(1s)	1.999993607	-10.543931276 Hartree
224	C10 Val(2s)	0.948633588	-0.096158000 Hartree
225	C10 Ryd(3s)	0.000931222	1.303660303 Hartree
226	C10 Ryd(4s)	0.000012046	1.691194297 Hartree
227	C10 Ryd(5s)	0.000005200	19.173171105 Hartree
228	C10 Val(2p)	1.012125879	-0.103761037 Hartree
229	C10 Ryd(3p)	0.001713357	0.709954366 Hartree
230	C10 Ryd(4p)	0.000272002	0.304590840 Hartree
231	C10 Ryd(5p)	0.000023724	2.918554282 Hartree
232	C10 Val(2p)	1.131432742	-0.057125331 Hartree
233	C10 Ryd(3p)	0.005138488	1.092224144 Hartree
234	C10 Ryd(4p)	0.000188502	0.381477084 Hartree
235	C10 Ryd(5p)	0.000058230	3.547363563 Hartree
236	C10 Val(2p)	1.092859431	-0.030533245 Hartree
237	C10 Ryd(3p)	0.004525265	0.906775577 Hartree
238	C10 Ryd(4p)	0.000192647	0.900041351 Hartree
239	C10 Ryd(5p)	0.000119533	3.538729136 Hartree
240	C10 Ryd(3d)	0.000650492	1.692023922 Hartree
241	C10 Ryd(4d)	0.000067071	3.207220906 Hartree
242	C10 Ryd(3d)	0.000387676	1.598555277 Hartree
243	C10 Ryd(4d)	0.000117730	3.174080863 Hartree
244	C10 Ryd(3d)	0.000582593	2.242679431 Hartree
245	C10 Ryd(4d)	0.000471521	3.692100208 Hartree
246	C10 Ryd(3d)	0.000781989	1.754948110 Hartree
247	C10 Ryd(4d)	0.000080163	3.277272286 Hartree
248	C10 Ryd(3d)	0.001008259	2.378749206 Hartree
249	C10 Ryd(4d)	0.000301890	3.672122771 Hartree
250	C11 Cor(1s)	1.999993660	-10.542899989 Hartree
251	C11 Val(2s)	0.951525344	-0.096911486 Hartree
252	C11 Ryd(3s)	0.000968638	1.215571139 Hartree
253	C11 Ryd(4s)	0.000007207	5.526777256 Hartree
254	C11 Ryd(5s)	0.000002477	18.256858730 Hartree
255	C11 Val(2p)	1.007209207	-0.100957853 Hartree
256	C11 Ryd(3p)	0.001623065	0.629085610 Hartree
257	C11 Ryd(4p)	0.000339092	0.345660482 Hartree
258	C11 Ryd(5p)	0.000027071	2.857438615 Hartree
259	C11 Val(2p)	1.057291599	-0.032775754 Hartree
260	C11 Ryd(3p)	0.003178784	0.771941966 Hartree
261	C11 Ryd(4p)	0.000314542	0.693925524 Hartree
262	C11 Ryd(5p)	0.000105984	3.337414208 Hartree
263	C11 Val(2p)	1.177831329	-0.058498608 Hartree
264	C11 Ryd(3p)	0.005946384	1.232147772 Hartree
265	C11 Ryd(4p)	0.000229597	0.301824370 Hartree
266	C11 Ryd(5p)	0.000040538	3.739946971 Hartree
267	C11 Ryd(3d)	0.000685295	1.914349037 Hartree
268	C11 Ryd(4d)	0.000130746	3.267202483 Hartree
269	C11 Ryd(3d)	0.000433611	1.659275492 Hartree
270	C11 Ryd(4d)	0.000043878	3.052413625 Hartree
271	C11 Ryd(3d)	0.000804555	2.187062185 Hartree
272	C11 Ryd(4d)	0.000222495	3.640854245 Hartree
273	C11 Ryd(3d)	0.000857208	2.049195866 Hartree
274	C11 Ryd(4d)	0.000145601	3.326284088 Hartree
275	C11 Ryd(3d)	0.000661739	1.949830291 Hartree
276	C11 Ryd(4d)	0.000486668	3.697822417 Hartree
277	C12 Cor(1s)	1.999993607	-10.543931276 Hartree
278	C12 Val(2s)	0.948633588	-0.096158000 Hartree
279	C12 Ryd(3s)	0.000931222	1.303660310 Hartree
280	C12 Ryd(4s)	0.000012046	1.691184701 Hartree
281	C12 Ryd(5s)	0.000005200	19.173183650 Hartree
282	C12 Val(2p)	1.012125879	-0.103761037 Hartree
283	C12 Ryd(3p)	0.001713357	0.709954367 Hartree
284	C12 Ryd(4p)	0.000272002	0.304590842 Hartree
285	C12 Ryd(5p)	0.000023724	2.918554282 Hartree
286	C12 Val(2p)	1.131432742	-0.057125331 Hartree
287	C12 Ryd(3p)	0.005138488	1.092224146 Hartree
288	C12 Ryd(4p)	0.000188502	0.381477036 Hartree
289	C12 Ryd(5p)	0.000058230	3.547363565 Hartree
290	C12 Val(2p)	1.092859431	-0.030533245 Hartree
291	C12 Ryd(3p)	0.004525265	0.906775569 Hartree
292	C12 Ryd(4p)	0.000192647	0.900041399 Hartree
293	C12 Ryd(5p)	0.000119533	3.538729134 Hartree
294	C12 Ryd(3d)	0.000650492	1.692023923 Hartree
295	C12 Ryd(4d)	0.000067071	3.207220906 Hartree
296	C12 Ryd(3d)	0.000387676	1.598555277 Hartree
297	C12 Ryd(4d)	0.000117730	3.174080862 Hartree
298	C12 Ryd(3d)	0.000582593	2.242679431 Hartree
299	C12 Ryd(4d)	0.000471521	3.692100209 Hartree
300	C12 Ryd(3d)	0.000781989	1.754948111 Hartree
301	C12 Ryd(4d)	0.000080163	3.277272287 Hartree
302	C12 Ryd(3d)	0.001008259	2.378749207 Hartree
303	C12 Ryd(4d)	0.000301890	3.672122771 Hartree
304	C13 Cor(1s)	1.999993352	-10.543567665 Hartree
305	C13 Val(2s)	0.938401776	-0.086707886 Hartree
306	C13 Ryd(3s)	0.001030485	1.301882875 Hartree
307	C13 Ryd(4s)	0.000028007	16.120904379 Hartree
308	C13 Ryd(5s)	0.000009804	4.724274823 Hartree
309	C13 Val(2p)	1.018486556	-0.103562340 Hartree
310	C13 Ryd(3p)	0.001462988	0.731576586 Hartree
311	C13 Ryd(4p)	0.000328155	0.374318461 Hartree
312	C13 Ryd(5p)	0.000039526	2.980490375 Hartree
313	C13 Val(2p)	1.125134632	-0.054725236 Hartree
314	C13 Ryd(3p)	0.004635586	1.045826211 Hartree
315	C13 Ryd(4p)	0.000256139	0.718497609 Hartree
316	C13 Ryd(5p)	0.000055841	3.535991401 Hartree
317	C13 Val(2p)	1.098506514	-0.034196001 Hartree
318	C13 Ryd(3p)	0.003716299	1.004229706 Hartree
319	C13 Ryd(5p)	0.000170547	0.936920941 Hartree
320	C13 Ryd(4p)	0.000171955	3.662312428 Hartree
321	C13 Ryd(3d)	0.000715691	1.672757596 Hartree
322	C13 Ryd(4d)	0.000072317	3.304694183 Hartree
323	C13 Ryd(3d)	0.000361085	1.548785306 Hartree
324	C13 Ryd(4d)	0.000137660	3.271487468 Hartree
325	C13 Ryd(3d)	0.000685246	2.157804392 Hartree
326	C13 Ryd(4d)	0.000503797	3.761994793 Hartree
327	C13 Ryd(3d)	0.000866227	1.727698893 Hartree
328	C13 Ryd(4d)	0.000083887	3.363576179 Hartree
329	C13 Ryd(3d)	0.001009286	2.399961486 Hartree
330	C13 Ryd(4d)	0.000224516	3.736707474 Hartree
331	H14 Val(1s)	0.783495685	0.080415264 Hartree
332	H14 Ryd(2s)	0.000661507	0.812196463 Hartree
333	H14 Ryd(3s)	0.000149280	2.410487460 Hartree
334	H14 Ryd(2p)	0.000166734	1.970880713 Hartree
335	H14 Ryd(2p)	0.000462397	2.451746614 Hartree
336	H14 Ryd(2p)	0.000187114	2.374131631 Hartree
337	H15 Val(1s)	0.785984135	0.078463672 Hartree
338	H15 Ryd(2s)	0.000762254	0.866334932 Hartree
339	H15 Ryd(3s)	0.000107804	2.384411743 Hartree
340	H15 Ryd(2p)	0.000133316	1.942532109 Hartree
341	H15 Ryd(2p)	0.000461198	2.435550785 Hartree
342	H15 Ryd(2p)	0.000183323	2.358138009 Hartree
343	H16 Val(1s)	0.786308251	0.078882171 Hartree
344	H16 Ryd(2s)	0.000678703	0.833950321 Hartree
345	H16 Ryd(3s)	0.000097190	2.360742149 Hartree
346	H16 Ryd(2p)	0.000071883	1.879534519 Hartree
347	H16 Ryd(2p)	0.000047835	2.201607814 Hartree
348	H16 Ryd(2p)	0.000723472	2.579203856 Hartree
349	H17 Val(1s)	0.785984135	0.078463672 Hartree
350	H17 Ryd(2s)	0.000762254	0.866334931 Hartree
351	H17 Ryd(3s)	0.000107804	2.384411743 Hartree
352	H17 Ryd(2p)	0.000133316	1.942532109 Hartree
353	H17 Ryd(2p)	0.000461198	2.435550785 Hartree
354	H17 Ryd(2p)	0.000183323	2.358138008 Hartree
355	H18 Val(1s)	0.783495685	0.080415264 Hartree
356	H18 Ryd(2s)	0.000661507	0.812196460 Hartree
357	H18 Ryd(3s)	0.000149280	2.410487460 Hartree
358	H18 Ryd(2p)	0.000166734	1.970880713 Hartree
359	H18 Ryd(2p)	0.000462397	2.451746614 Hartree
360	H18 Ryd(2p)	0.000187114	2.374131632 Hartree
361	H19 Val(1s)	0.783495685	0.080415264 Hartree
362	H19 Ryd(2s)	0.000661507	0.812196460 Hartree
363	H19 Ryd(3s)	0.000149280	2.410487460 Hartree
364	H19 Ryd(2p)	0.000166734	1.970880713 Hartree
365	H19 Ryd(2p)	0.000462397	2.451746614 Hartree
366	H19 Ryd(2p)	0.000187114	2.374131631 Hartree
367	H20 Val(1s)	0.785984135	0.078463672 Hartree
368	H20 Ryd(2s)	0.000762254	0.866334931 Hartree
369	H20 Ryd(3s)	0.000107804	2.384411743 Hartree
370	H20 Ryd(2p)	0.000133316	1.942532109 Hartree
371	H20 Ryd(2p)	0.000461198	2.435550785 Hartree
372	H20 Ryd(2p)	0.000183323	2.358138009 Hartree
373	H21 Val(1s)	0.786308251	0.078882171 Hartree
374	H21 Ryd(2s)	0.000678703	0.833950320 Hartree
375	H21 Ryd(3s)	0.000097190	2.360742149 Hartree
376	H21 Ryd(2p)	0.000071883	1.879534519 Hartree
377	H21 Ryd(2p)	0.000047835	2.201607814 Hartree
378	H21 Ryd(2p)	0.000723472	2.579203856 Hartree
379	H22 Val(1s)	0.785984135	0.078463672 Hartree
380	H22 Ryd(2s)	0.000762254	0.866334930 Hartree
381	H22 Ryd(3s)	0.000107804	2.384411744 Hartree
382	H22 Ryd(2p)	0.000133316	1.942532109 Hartree
383	H22 Ryd(2p)	0.000461198	2.435550785 Hartree
384	H22 Ryd(2p)	0.000183323	2.358138009 Hartree

Natural Hybrid Orbitals

Display Range		- / 384
Orbital	Description	Occupancy	Energy	Actions
1	CR(1)C1 s(100.00%)	1.999993607	-10.543931276 Hartree
2	CR(1)C2 s(100.00%)	1.999993660	-10.542899989 Hartree
3	CR(1)C3 s(100.00%)	1.999993607	-10.543931276 Hartree
4	CR(1)C4 s(100.00%)	1.999993352	-10.543567665 Hartree
5	CR(1)C5 s(100.00%)	1.999993064	-10.554257387 Hartree
6	CR(1)C6 s(100.00%)	1.999993352	-10.543567665 Hartree
7	CR(1)C8 s(100.00%)	1.999993064	-10.554257387 Hartree
8	CR(1)C9 s(100.00%)	1.999993352	-10.543567665 Hartree
9	CR(1)C10 s(100.00%)	1.999993607	-10.543931276 Hartree
10	CR(1)C11 s(100.00%)	1.999993660	-10.542899989 Hartree
11	CR(1)C12 s(100.00%)	1.999993607	-10.543931276 Hartree
12	CR(1)C13 s(100.00%)	1.999993352	-10.543567665 Hartree
13	BD(1)C1(C2) 1s(35.93%)p1.78(63.97%)d0.00(0.10%)	0.998965026	-0.016605743 Hartree
14	BD(1)C2(C1) 2s(35.91%)p1.78(63.98%)d0.00(0.11%)	0.995510551	-0.014365869 Hartree
15	BD(2)C1(C2) 1s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.994189936	-0.113474540 Hartree
16	BD(2)C2(C1) 2s(0.00%)p1.00(99.96%)d0.00(0.04%)	1.002325191	-0.114370759 Hartree
17	BD(1)C1(C6) 1s(36.14%)p1.76(63.75%)d0.00(0.11%)	0.991174356	-0.011619941 Hartree
18	BD(1)C6(C1) 6s(36.07%)p1.77(63.82%)d0.00(0.11%)	1.001654679	-0.017182055 Hartree
19	BD(1)C1(H22) 1s(27.78%)p2.60(72.18%)d0.00(0.04%)	1.208488232	-0.129737892 Hartree
20	BD(1)H22(C1) 22s(99.94%)p0.00(0.06%)	0.786502102	0.079635914 Hartree
21	BD(1)C2(C3) 2s(35.91%)p1.78(63.98%)d0.00(0.11%)	0.995504928	-0.014362718 Hartree
22	BD(1)C3(C2) 3s(35.93%)p1.78(63.97%)d0.00(0.10%)	0.998965451	-0.016605687 Hartree
23	BD(1)C2(H21) 2s(28.04%)p2.57(71.92%)d0.00(0.04%)	1.208281998	-0.129248297 Hartree
24	BD(1)H21(C2) 21s(99.93%)p0.00(0.07%)	0.786864160	0.079685935 Hartree
25	BD(1)C3(C4) 3s(36.14%)p1.76(63.75%)d0.00(0.11%)	0.991179881	-0.011621276 Hartree
26	BD(1)C4(C3) 4s(36.07%)p1.77(63.82%)d0.00(0.11%)	1.001654412	-0.017181998 Hartree
27	BD(2)C3(C4) 3s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.994180509	-0.113411555 Hartree
28	BD(2)C4(C3) 4s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.999500140	-0.113844318 Hartree
29	BD(1)C3(H20) 3s(27.78%)p2.60(72.18%)d0.00(0.04%)	1.208483252	-0.129734481 Hartree
30	BD(1)H20(C3) 20s(99.94%)p0.00(0.06%)	0.786502102	0.079635914 Hartree
31	BD(1)C4(C5) 4s(36.00%)p1.77(63.90%)d0.00(0.11%)	0.975616874	-0.003059676 Hartree
32	BD(1)C5(C4) 5s(33.88%)p1.95(66.05%)d0.00(0.07%)	1.018939146	-0.027050008 Hartree
33	BD(1)C4(H19) 4s(27.78%)p2.60(72.18%)d0.00(0.04%)	1.210311232	-0.129060370 Hartree
34	BD(1)H19(C4) 19s(99.94%)p0.00(0.06%)	0.784038105	0.081865259 Hartree
35	BD(1)C5(C6) 5s(33.89%)p1.95(66.04%)d0.00(0.07%)	1.018903581	-0.027123532 Hartree
36	BD(1)C6(C5) 6s(35.99%)p1.78(63.90%)d0.00(0.11%)	0.975657182	-0.003102548 Hartree
37	BD(2)C5(C6) 5s(0.01%)p1.00(99.97%)d0.00(0.03%)	1.000825946	-0.106733184 Hartree
38	BD(2)C6(C5) 6s(0.01%)p1.00(99.94%)d0.00(0.05%)	0.999391212	-0.113393316 Hartree
39	BD(1)C5(C8) 5s(32.11%)p2.11(67.85%)d0.00(0.05%)	1.000493135	-0.043754470 Hartree
40	BD(1)C8(C5) 8s(32.11%)p2.11(67.85%)d0.00(0.05%)	1.000493135	-0.043754470 Hartree
41	BD(1)C6(H7) 6s(27.79%)p2.60(72.18%)d0.00(0.04%)	1.210306430	-0.129054974 Hartree
42	BD(1)H7(C6) 7s(99.94%)p0.00(0.06%)	0.784038105	0.081865259 Hartree
43	BD(1)C8(C9) 8s(33.88%)p1.95(66.05%)d0.00(0.07%)	1.018939146	-0.027050008 Hartree
44	BD(1)C9(C8) 9s(36.00%)p1.77(63.90%)d0.00(0.11%)	0.975616874	-0.003059676 Hartree
45	BD(1)C8(C13) 8s(33.89%)p1.95(66.04%)d0.00(0.07%)	1.018903581	-0.027123531 Hartree
46	BD(1)C13(C8) 13s(35.99%)p1.78(63.90%)d0.00(0.11%)	0.975657182	-0.003102548 Hartree
47	BD(2)C8(C13) 8s(0.01%)p1.00(99.97%)d0.00(0.03%)	1.000825946	-0.106733184 Hartree
48	BD(2)C13(C8) 13s(0.01%)p1.00(99.94%)d0.00(0.05%)	0.999391212	-0.113393316 Hartree
49	BD(1)C9(C10) 9s(36.07%)p1.77(63.82%)d0.00(0.11%)	1.001654412	-0.017181998 Hartree
50	BD(1)C10(C9) 10s(36.14%)p1.76(63.75%)d0.00(0.11%)	0.991179881	-0.011621276 Hartree
51	BD(2)C9(C10) 9s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.999500140	-0.113844318 Hartree
52	BD(2)C10(C9) 10s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.994180509	-0.113411555 Hartree
53	BD(1)C9(H18) 9s(27.78%)p2.60(72.18%)d0.00(0.04%)	1.210311232	-0.129060370 Hartree
54	BD(1)H18(C9) 18s(99.94%)p0.00(0.06%)	0.784038105	0.081865259 Hartree
55	BD(1)C10(C11) 10s(35.93%)p1.78(63.97%)d0.00(0.10%)	0.998965451	-0.016605687 Hartree
56	BD(1)C11(C10) 11s(35.91%)p1.78(63.98%)d0.00(0.11%)	0.995504928	-0.014362718 Hartree
57	BD(1)C10(H17) 10s(27.78%)p2.60(72.18%)d0.00(0.04%)	1.208483252	-0.129734481 Hartree
58	BD(1)H17(C10) 17s(99.94%)p0.00(0.06%)	0.786502102	0.079635914 Hartree
59	BD(1)C11(C12) 11s(35.91%)p1.78(63.98%)d0.00(0.11%)	0.995510551	-0.014365869 Hartree
60	BD(1)C12(C11) 12s(35.93%)p1.78(63.97%)d0.00(0.10%)	0.998965026	-0.016605743 Hartree
61	BD(2)C11(C12) 11s(0.00%)p1.00(99.96%)d0.00(0.04%)	1.002325191	-0.114370759 Hartree
62	BD(2)C12(C11) 12s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.994189936	-0.113474540 Hartree
63	BD(1)C11(H16) 11s(28.04%)p2.57(71.92%)d0.00(0.04%)	1.208281998	-0.129248297 Hartree
64	BD(1)H16(C11) 16s(99.93%)p0.00(0.07%)	0.786864160	0.079685935 Hartree
65	BD(1)C12(C13) 12s(36.14%)p1.76(63.75%)d0.00(0.11%)	0.991174356	-0.011619941 Hartree
66	BD(1)C13(C12) 13s(36.07%)p1.77(63.82%)d0.00(0.11%)	1.001654679	-0.017182055 Hartree
67	BD(1)C12(H15) 12s(27.78%)p2.60(72.18%)d0.00(0.04%)	1.208488232	-0.129737892 Hartree
68	BD(1)H15(C12) 15s(99.94%)p0.00(0.06%)	0.786502102	0.079635913 Hartree
69	BD(1)C13(H14) 13s(27.79%)p2.60(72.18%)d0.00(0.04%)	1.210306430	-0.129054974 Hartree
70	BD(1)H14(C13) 14s(99.94%)p0.00(0.06%)	0.784038105	0.081865259 Hartree
71	RY(1)C1 s(0.07%)p99.99(89.68%)d99.99(10.25%)	0.005805585	1.374326064 Hartree
72	RY(2)C1 s(0.05%)p99.99(99.28%)d14.10(0.67%)	0.001645948	1.355744106 Hartree
73	RY(3)C1 s(0.33%)p99.99(87.06%)d38.29(12.61%)	0.000975148	0.443211567 Hartree
74	RY(4)C1 s(16.96%)p0.18(3.05%)d4.72(79.99%)	0.000489639	2.263080558 Hartree
75	RY(5)C1 s(29.33%)p0.09(2.75%)d2.32(67.91%)	0.000457074	2.225827843 Hartree
76	RY(6)C1 s(0.88%)p30.13(26.41%)d82.96(72.71%)	0.000275965	2.995196139 Hartree
77	RY(7)C1 s(2.53%)p6.42(16.22%)d32.17(81.26%)	0.000097903	2.420521024 Hartree
78	RY(8)C1 s(29.74%)p1.36(40.45%)d1.00(29.82%)	0.000042364	1.620766128 Hartree
79	RY(9)C1 s(16.55%)p3.35(55.48%)d1.69(27.97%)	0.000026434	1.871432332 Hartree
80	RY(10)C1 s(8.75%)p7.24(63.34%)d3.19(27.91%)	0.000013781	2.801374698 Hartree
81	RY(11)C1 s(2.86%)p7.46(21.32%)d26.52(75.82%)	0.000009643	2.545343485 Hartree
82	RY(12)C1 s(22.55%)p0.57(12.86%)d2.86(64.59%)	0.000007532	4.534303033 Hartree
83	RY(13)C1 s(54.95%)p0.33(18.15%)d0.49(26.90%)	0.000005736	1.761993415 Hartree
84	RY(14)C1 s(30.56%)p1.44(44.12%)d0.83(25.32%)	0.000006443	4.922996748 Hartree
85	RY(15)C1 s(32.18%)p1.11(35.67%)d1.00(32.15%)	0.000002364	7.158503797 Hartree
86	RY(16)C1 s(6.57%)p5.03(33.06%)d9.19(60.37%)	0.000000558	3.663346267 Hartree
87	RY(17)C1 s(2.63%)p22.98(60.54%)d13.98(36.83%)	0.000000011	2.742556454 Hartree
88	RY(18)C1 s(7.41%)p2.84(21.08%)d9.65(71.51%)	0.000000077	3.295571692 Hartree
89	RY(19)C1 s(16.37%)p2.69(44.04%)d2.42(39.58%)	0.000000132	3.881590820 Hartree
90	RY(20)C1 s(12.00%)p3.58(42.98%)d3.75(45.02%)	0.000000363	3.781578456 Hartree
91	RY(21)C1 s(0.06%)p99.99(14.01%)d99.99(85.93%)	0.000000002	3.237414226 Hartree
92	RY(22)C1 s(6.83%)p10.04(68.57%)d3.60(24.60%)	0.000000989	2.244669190 Hartree
93	RY(1)C2 s(0.18%)p99.99(90.37%)d51.89(9.45%)	0.005462865	1.342196626 Hartree
94	RY(2)C2 s(0.00%)p1.00(98.90%)d0.01(1.10%)	0.001441880	1.433684941 Hartree
95	RY(3)C2 s(0.00%)p1.00(88.26%)d0.13(11.74%)	0.001168870	0.486390926 Hartree
96	RY(4)C2 s(39.81%)p0.08(3.34%)d1.43(56.85%)	0.000504934	2.155415295 Hartree
97	RY(5)C2 s(0.20%)p1.50(0.30%)d99.99(99.51%)	0.000425421	2.420266687 Hartree
98	RY(6)C2 s(0.00%)p1.00(41.52%)d1.41(58.48%)	0.000297863	2.141759308 Hartree
99	RY(7)C2 s(6.48%)p3.91(25.37%)d10.51(68.15%)	0.000085274	2.656162945 Hartree
100	RY(8)C2 s(0.00%)p1.00(87.20%)d0.15(12.80%)	0.000037354	1.869519007 Hartree
101	RY(9)C2 s(37.37%)p0.49(18.24%)d1.19(44.39%)	0.000037501	1.733127141 Hartree
102	RY(10)C2 s(20.30%)p1.39(28.23%)d2.53(51.46%)	0.000010916	3.424729570 Hartree
103	RY(11)C2 s(0.00%)p1.00(2.39%)d40.90(97.61%)	0.000008792	2.736170422 Hartree
104	RY(12)C2 s(13.56%)p5.41(73.38%)d0.96(13.06%)	0.000003407	2.808544519 Hartree
105	RY(13)C2 s(19.96%)p1.85(36.83%)d2.17(43.21%)	0.000001815	2.346183247 Hartree
106	RY(14)C2 s(0.00%)p1.00(89.24%)d0.12(10.76%)	0.000001645	0.775853092 Hartree
107	RY(15)C2 s(73.51%)p0.06(4.09%)d0.30(22.40%)	0.000000120	14.871548639 Hartree
108	RY(16)C2 s(8.48%)p0.00(0.04%)d10.79(91.48%)	0.000000023	3.580563111 Hartree
109	RY(17)C2 s(0.00%)p1.00(33.50%)d1.99(66.50%)	0.000000069	1.103885800 Hartree
110	RY(18)C2 s(0.00%)p1.00(1.81%)d54.35(98.19%)	0.000000011	3.379386881 Hartree
111	RY(19)C2 s(0.00%)p1.00(59.99%)d0.67(40.01%)	0.000000348	2.391296683 Hartree
112	RY(20)C2 s(69.16%)p0.14(9.57%)d0.31(21.27%)	0.000000566	4.755756058 Hartree
113	RY(21)C2 s(11.14%)p0.95(10.54%)d7.03(78.32%)	0.000000283	4.374521572 Hartree
114	RY(22)C2 s(0.00%)p1.00(97.06%)d0.03(2.94%)	0.000000027	2.849124807 Hartree
115	RY(1)C3 s(0.07%)p99.99(89.68%)d99.99(10.25%)	0.005805731	1.374313729 Hartree
116	RY(2)C3 s(0.05%)p99.99(99.29%)d13.75(0.66%)	0.001645694	1.356087683 Hartree
117	RY(3)C3 s(0.28%)p99.99(85.57%)d51.03(14.15%)	0.000997789	0.479098651 Hartree
118	RY(4)C3 s(26.93%)p0.14(3.88%)d2.57(69.19%)	0.000485476	2.201373935 Hartree
119	RY(5)C3 s(19.41%)p0.18(3.45%)d3.97(77.14%)	0.000447161	2.251551250 Hartree
120	RY(6)C3 s(0.88%)p30.11(26.41%)d82.89(72.71%)	0.000275965	2.995144685 Hartree
121	RY(7)C3 s(2.53%)p6.42(16.22%)d32.18(81.26%)	0.000097904	2.420460986 Hartree
122	RY(8)C3 s(29.74%)p1.36(40.45%)d1.00(29.82%)	0.000042365	1.620701675 Hartree
123	RY(9)C3 s(16.54%)p3.35(55.47%)d1.69(27.98%)	0.000026431	1.871393075 Hartree
124	RY(10)C3 s(8.75%)p7.23(63.33%)d3.19(27.92%)	0.000013781	2.802204521 Hartree
125	RY(11)C3 s(2.86%)p7.45(21.31%)d26.52(75.83%)	0.000009643	2.545948604 Hartree
126	RY(12)C3 s(22.55%)p0.57(12.87%)d2.86(64.59%)	0.000007533	4.533036677 Hartree
127	RY(13)C3 s(54.93%)p0.33(18.16%)d0.49(26.91%)	0.000005736	1.761981611 Hartree
128	RY(14)C3 s(30.57%)p1.44(44.11%)d0.83(25.32%)	0.000006443	4.923276954 Hartree
129	RY(15)C3 s(32.19%)p1.11(35.66%)d1.00(32.15%)	0.000002364	7.159134613 Hartree
130	RY(16)C3 s(2.63%)p22.98(60.54%)d13.98(36.82%)	0.000000011	2.742660342 Hartree
131	RY(17)C3 s(6.57%)p5.03(33.06%)d9.19(60.37%)	0.000000558	3.663411377 Hartree
132	RY(18)C3 s(12.01%)p3.58(42.98%)d3.75(45.01%)	0.000000363	3.781721936 Hartree
133	RY(19)C3 s(16.37%)p2.69(44.04%)d2.42(39.58%)	0.000000132	3.881416289 Hartree
134	RY(20)C3 s(7.41%)p2.84(21.08%)d9.65(71.52%)	0.000000077	3.295322449 Hartree
135	RY(21)C3 s(0.06%)p99.99(14.01%)d99.99(85.93%)	0.000000002	3.237427684 Hartree
136	RY(22)C3 s(6.83%)p10.05(68.58%)d3.60(24.60%)	0.000000990	2.243614561 Hartree
137	RY(1)C4 s(0.36%)p99.99(91.16%)d23.31(8.47%)	0.005483438	1.376900710 Hartree
138	RY(2)C4 s(0.17%)p99.99(90.27%)d56.41(9.56%)	0.001650447	1.235565922 Hartree
139	RY(3)C4 s(0.49%)p99.99(83.88%)d32.16(15.63%)	0.001056078	0.580028402 Hartree
140	RY(4)C4 s(27.68%)p0.45(12.46%)d2.16(59.86%)	0.000527572	2.025597399 Hartree
141	RY(5)C4 s(19.40%)p0.72(14.06%)d3.43(66.54%)	0.000481340	2.053473534 Hartree
142	RY(6)C4 s(2.20%)p19.23(42.26%)d25.28(55.54%)	0.000289228	3.226953531 Hartree
143	RY(7)C4 s(26.23%)p0.55(14.52%)d2.26(59.24%)	0.000199324	1.650699465 Hartree
144	RY(8)C4 s(2.26%)p15.36(34.63%)d27.99(63.11%)	0.000134457	2.917144093 Hartree
145	RY(9)C4 s(4.81%)p11.15(53.64%)d8.63(41.55%)	0.000063503	1.854741569 Hartree
146	RY(10)C4 s(0.85%)p63.51(54.09%)d52.91(45.06%)	0.000046599	1.586155821 Hartree
147	RY(11)C4 s(15.42%)p4.25(65.56%)d1.23(19.03%)	0.000030748	3.558842683 Hartree
148	RY(12)C4 s(10.29%)p4.81(49.53%)d3.90(40.18%)	0.000016529	4.250926243 Hartree
149	RY(13)C4 s(13.08%)p0.71(9.29%)d5.94(77.63%)	0.000009941	3.556696369 Hartree
150	RY(14)C4 s(32.90%)p0.77(25.36%)d1.27(41.74%)	0.000007573	4.117232952 Hartree
151	RY(15)C4 s(40.75%)p0.99(40.22%)d0.47(19.03%)	0.000004549	6.210031604 Hartree
152	RY(16)C4 s(24.74%)p2.28(56.35%)d0.76(18.91%)	0.000004061	4.153851303 Hartree
153	RY(17)C4 s(13.50%)p3.12(42.14%)d3.29(44.36%)	0.000002679	3.478415044 Hartree
154	RY(18)C4 s(24.32%)p1.67(40.73%)d1.44(34.95%)	0.000001527	2.850033150 Hartree
155	RY(19)C4 s(7.94%)p2.40(19.05%)d9.20(73.01%)	0.000001030	4.051660755 Hartree
156	RY(20)C4 s(16.64%)p1.88(31.35%)d3.12(52.01%)	0.000000933	2.953865069 Hartree
157	RY(21)C4 s(10.69%)p1.60(17.08%)d6.76(72.23%)	0.000000277	3.084415921 Hartree
158	RY(22)C4 s(5.43%)p2.30(12.51%)d15.11(82.06%)	0.000000031	3.293415131 Hartree
159	RY(1)C5 s(2.13%)p42.39(90.20%)d3.61(7.67%)	0.007314509	1.400746989 Hartree
160	RY(2)C5 s(0.00%)p1.00(94.91%)d0.05(5.09%)	0.005114512	1.051683258 Hartree
161	RY(3)C5 s(0.00%)p1.00(90.91%)d0.10(9.09%)	0.001173931	1.561254308 Hartree
162	RY(4)C5 s(23.54%)p0.32(7.49%)d2.93(68.97%)	0.000730748	2.801786451 Hartree
163	RY(5)C5 s(1.83%)p7.75(14.16%)d45.97(84.01%)	0.000585289	2.819585250 Hartree
164	RY(6)C5 s(0.80%)p20.55(16.47%)d99.99(82.73%)	0.000538127	2.817220372 Hartree
165	RY(7)C5 s(0.18%)p69.55(12.18%)d99.99(87.65%)	0.000298905	2.472172877 Hartree
166	RY(8)C5 s(13.26%)p1.38(18.28%)d5.16(68.46%)	0.000260119	4.117251277 Hartree
167	RY(9)C5 s(70.79%)p0.09(6.43%)d0.32(22.78%)	0.000227622	1.856398823 Hartree
168	RY(10)C5 s(4.66%)p13.31(61.99%)d7.17(33.36%)	0.000160679	3.425851965 Hartree
169	RY(11)C5 s(0.00%)p1.00(51.30%)d0.95(48.70%)	0.000151894	2.330325427 Hartree
170	RY(12)C5 s(0.26%)p99.99(81.77%)d70.07(17.97%)	0.000077096	1.314599872 Hartree
171	RY(13)C5 s(36.62%)p0.81(29.69%)d0.92(33.69%)	0.000077430	6.139345967 Hartree
172	RY(14)C5 s(3.19%)p13.43(42.82%)d16.93(53.99%)	0.000033939	3.097352104 Hartree
173	RY(15)C5 s(60.56%)p0.21(12.57%)d0.44(26.87%)	0.000013112	7.786094909 Hartree
174	RY(16)C5 s(0.08%)p62.38(5.27%)d99.99(94.65%)	0.000007274	2.546638188 Hartree
175	RY(17)C5 s(0.00%)p1.00(85.94%)d0.16(14.06%)	0.000004903	0.708064620 Hartree
176	RY(18)C5 s(0.00%)p1.00(11.62%)d7.61(88.38%)	0.000003537	3.190945135 Hartree
177	RY(19)C5 s(0.00%)p1.00(61.49%)d0.63(38.51%)	0.000001284	3.305458221 Hartree
178	RY(20)C5 s(72.39%)p0.16(11.40%)d0.22(16.21%)	0.000000685	2.635544732 Hartree
179	RY(21)C5 s(9.84%)p0.03(0.32%)d9.13(89.85%)	0.000000438	3.491648731 Hartree
180	RY(22)C5 s(0.00%)p1.00(92.90%)d0.08(7.10%)	0.000000506	2.875995778 Hartree
181	RY(1)C6 s(0.36%)p99.99(91.17%)d23.41(8.47%)	0.005482579	1.376804759 Hartree
182	RY(2)C6 s(0.18%)p99.99(90.26%)d53.93(9.56%)	0.001649327	1.235084838 Hartree
183	RY(3)C6 s(0.51%)p99.99(80.16%)d38.15(19.34%)	0.001170769	0.652356220 Hartree
184	RY(4)C6 s(41.54%)p0.22(9.19%)d1.19(49.27%)	0.000515547	2.029642291 Hartree
185	RY(5)C6 s(5.51%)p3.85(21.19%)d13.30(73.30%)	0.000453976	1.984494499 Hartree
186	RY(6)C6 s(2.23%)p18.86(42.09%)d24.95(55.68%)	0.000288959	3.216542209 Hartree
187	RY(7)C6 s(26.19%)p0.56(14.60%)d2.26(59.21%)	0.000199448	1.650927266 Hartree
188	RY(8)C6 s(2.26%)p15.26(34.56%)d27.90(63.17%)	0.000134381	2.917729611 Hartree
189	RY(9)C6 s(4.82%)p11.12(53.64%)d8.62(41.54%)	0.000063551	1.855421691 Hartree
190	RY(10)C6 s(0.85%)p63.58(54.10%)d52.95(45.05%)	0.000046600	1.585762562 Hartree
191	RY(11)C6 s(15.43%)p4.25(65.58%)d1.23(18.99%)	0.000030754	3.561976563 Hartree
192	RY(12)C6 s(10.29%)p4.82(49.54%)d3.90(40.17%)	0.000016533	4.250285136 Hartree
193	RY(13)C6 s(13.07%)p0.71(9.30%)d5.94(77.63%)	0.000009940	3.555755243 Hartree
194	RY(14)C6 s(32.90%)p0.77(25.37%)d1.27(41.73%)	0.000007573	4.117292116 Hartree
195	RY(15)C6 s(40.77%)p0.99(40.20%)d0.47(19.03%)	0.000004548	6.212790430 Hartree
196	RY(16)C6 s(24.74%)p2.28(56.36%)d0.76(18.90%)	0.000004061	4.152704399 Hartree
197	RY(17)C6 s(13.47%)p3.13(42.15%)d3.29(44.38%)	0.000002677	3.477676490 Hartree
198	RY(18)C6 s(24.32%)p1.67(40.72%)d1.44(34.96%)	0.000001528	2.850121422 Hartree
199	RY(19)C6 s(7.93%)p2.40(19.06%)d9.20(73.01%)	0.000001030	4.051529043 Hartree
200	RY(20)C6 s(5.43%)p2.30(12.51%)d15.11(82.06%)	0.000000031	3.293446010 Hartree
201	RY(21)C6 s(10.69%)p1.60(17.08%)d6.76(72.23%)	0.000000277	3.084128286 Hartree
202	RY(22)C6 s(16.65%)p1.88(31.34%)d3.12(52.01%)	0.000000933	2.953746835 Hartree
203	RY(1)H7 s(95.13%)p0.05(4.87%)	0.000690241	0.932636289 Hartree
204	RY(2)H7 s(63.77%)p0.57(36.23%)	0.000229478	2.713133599 Hartree
205	RY(3)H7 s(1.16%)p85.16(98.84%)	0.000098180	1.907956154 Hartree
206	RY(4)H7 s(6.13%)p15.30(93.87%)	0.000050879	2.247300345 Hartree
207	RY(5)H7 s(33.87%)p1.95(66.13%)	0.000015833	2.216966497 Hartree
208	RY(1)C8 s(2.13%)p42.39(90.20%)d3.61(7.67%)	0.007314509	1.400746979 Hartree
209	RY(2)C8 s(0.00%)p1.00(94.91%)d0.05(5.09%)	0.005114512	1.051683259 Hartree
210	RY(3)C8 s(0.00%)p1.00(90.91%)d0.10(9.09%)	0.001173931	1.561254310 Hartree
211	RY(4)C8 s(23.54%)p0.32(7.49%)d2.93(68.97%)	0.000730748	2.801786598 Hartree
212	RY(5)C8 s(1.83%)p7.75(14.16%)d45.97(84.01%)	0.000585289	2.819585261 Hartree
213	RY(6)C8 s(0.80%)p20.55(16.47%)d99.99(82.73%)	0.000538127	2.817220375 Hartree
214	RY(7)C8 s(0.18%)p69.55(12.18%)d99.99(87.65%)	0.000298905	2.472172897 Hartree
215	RY(8)C8 s(13.26%)p1.38(18.28%)d5.16(68.46%)	0.000260119	4.117251811 Hartree
216	RY(9)C8 s(70.79%)p0.09(6.43%)d0.32(22.78%)	0.000227622	1.856398473 Hartree
217	RY(10)C8 s(4.66%)p13.31(61.99%)d7.17(33.36%)	0.000160679	3.425851423 Hartree
218	RY(11)C8 s(0.00%)p1.00(51.30%)d0.95(48.70%)	0.000151894	2.330325455 Hartree
219	RY(12)C8 s(0.26%)p99.99(81.77%)d70.07(17.97%)	0.000077096	1.314600779 Hartree
220	RY(13)C8 s(36.62%)p0.81(29.69%)d0.92(33.69%)	0.000077430	6.139344293 Hartree
221	RY(14)C8 s(3.19%)p13.43(42.82%)d16.93(53.99%)	0.000033939	3.097351284 Hartree
222	RY(15)C8 s(60.56%)p0.21(12.57%)d0.44(26.87%)	0.000013112	7.786099156 Hartree
223	RY(16)C8 s(0.08%)p62.38(5.27%)d99.99(94.65%)	0.000007274	2.546638144 Hartree
224	RY(17)C8 s(0.00%)p1.00(85.94%)d0.16(14.06%)	0.000004903	0.708064611 Hartree
225	RY(18)C8 s(0.00%)p1.00(11.62%)d7.61(88.38%)	0.000003537	3.190945186 Hartree
226	RY(19)C8 s(0.00%)p1.00(61.49%)d0.63(38.51%)	0.000001284	3.305458319 Hartree
227	RY(20)C8 s(72.40%)p0.16(11.40%)d0.22(16.21%)	0.000000685	2.635459323 Hartree
228	RY(21)C8 s(9.83%)p0.03(0.32%)d9.14(89.85%)	0.000000438	3.491739912 Hartree
229	RY(22)C8 s(0.00%)p1.00(92.90%)d0.08(7.10%)	0.000000506	2.875995724 Hartree
230	RY(1)C9 s(0.36%)p99.99(91.16%)d23.31(8.47%)	0.005483438	1.376900709 Hartree
231	RY(2)C9 s(0.17%)p99.99(90.27%)d56.41(9.56%)	0.001650447	1.235565922 Hartree
232	RY(3)C9 s(0.49%)p99.99(83.88%)d32.16(15.63%)	0.001056078	0.580028401 Hartree
233	RY(4)C9 s(27.68%)p0.45(12.46%)d2.16(59.86%)	0.000527572	2.025597405 Hartree
234	RY(5)C9 s(19.40%)p0.72(14.06%)d3.43(66.54%)	0.000481340	2.053473547 Hartree
235	RY(6)C9 s(2.20%)p19.23(42.26%)d25.28(55.54%)	0.000289228	3.226953549 Hartree
236	RY(7)C9 s(26.23%)p0.55(14.52%)d2.26(59.24%)	0.000199324	1.650699561 Hartree
237	RY(8)C9 s(2.26%)p15.36(34.63%)d27.99(63.11%)	0.000134457	2.917143976 Hartree
238	RY(9)C9 s(4.81%)p11.15(53.64%)d8.63(41.55%)	0.000063503	1.854742076 Hartree
239	RY(10)C9 s(0.85%)p63.51(54.09%)d52.91(45.06%)	0.000046599	1.586155625 Hartree
240	RY(11)C9 s(15.42%)p4.25(65.56%)d1.23(19.03%)	0.000030748	3.558841466 Hartree
241	RY(12)C9 s(10.29%)p4.81(49.53%)d3.90(40.18%)	0.000016529	4.250926638 Hartree
242	RY(13)C9 s(13.08%)p0.71(9.29%)d5.94(77.63%)	0.000009941	3.556695241 Hartree
243	RY(14)C9 s(32.90%)p0.77(25.36%)d1.27(41.74%)	0.000007573	4.117282639 Hartree
244	RY(15)C9 s(40.75%)p0.99(40.22%)d0.47(19.03%)	0.000004549	6.210121296 Hartree
245	RY(16)C9 s(24.74%)p2.28(56.35%)d0.76(18.91%)	0.000004061	4.153704833 Hartree
246	RY(17)C9 s(13.50%)p3.12(42.15%)d3.29(44.36%)	0.000002679	3.478392931 Hartree
247	RY(18)C9 s(24.32%)p1.67(40.73%)d1.44(34.95%)	0.000001527	2.850032232 Hartree
248	RY(19)C9 s(7.94%)p2.40(19.06%)d9.20(73.01%)	0.000001030	4.051533286 Hartree
249	RY(20)C9 s(16.65%)p1.88(31.34%)d3.12(52.01%)	0.000000933	2.953963870 Hartree
250	RY(21)C9 s(10.69%)p1.60(17.08%)d6.75(72.23%)	0.000000277	3.084472994 Hartree
251	RY(22)C9 s(5.43%)p2.30(12.51%)d15.11(82.06%)	0.000000031	3.293428065 Hartree
252	RY(1)C10 s(0.07%)p99.99(89.68%)d99.99(10.25%)	0.005805731	1.374313728 Hartree
253	RY(2)C10 s(0.05%)p99.99(99.29%)d13.75(0.66%)	0.001645694	1.356087681 Hartree
254	RY(3)C10 s(0.28%)p99.99(85.57%)d51.03(14.15%)	0.000997789	0.479098652 Hartree
255	RY(4)C10 s(26.93%)p0.14(3.88%)d2.57(69.19%)	0.000485476	2.201373977 Hartree
256	RY(5)C10 s(19.41%)p0.18(3.45%)d3.97(77.14%)	0.000447161	2.251551260 Hartree
257	RY(6)C10 s(0.88%)p30.11(26.41%)d82.89(72.71%)	0.000275965	2.995144672 Hartree
258	RY(7)C10 s(2.53%)p6.42(16.22%)d32.18(81.26%)	0.000097904	2.420461183 Hartree
259	RY(8)C10 s(29.74%)p1.36(40.45%)d1.00(29.82%)	0.000042365	1.620700624 Hartree
260	RY(9)C10 s(16.54%)p3.35(55.47%)d1.69(27.98%)	0.000026431	1.871393487 Hartree
261	RY(10)C10 s(8.75%)p7.24(63.33%)d3.19(27.92%)	0.000013781	2.802214734 Hartree
262	RY(11)C10 s(2.86%)p7.45(21.31%)d26.52(75.83%)	0.000009643	2.545955596 Hartree
263	RY(12)C10 s(22.55%)p0.57(12.87%)d2.86(64.59%)	0.000007532	4.533242439 Hartree
264	RY(13)C10 s(54.94%)p0.33(18.16%)d0.49(26.90%)	0.000005736	1.761967776 Hartree
265	RY(14)C10 s(30.56%)p1.44(44.11%)d0.83(25.32%)	0.000006443	4.923085951 Hartree
266	RY(15)C10 s(32.19%)p1.11(35.66%)d1.00(32.15%)	0.000002364	7.159152138 Hartree
267	RY(16)C10 s(2.63%)p22.98(60.54%)d13.98(36.83%)	0.000000011	2.742565537 Hartree
268	RY(17)C10 s(6.57%)p5.03(33.06%)d9.19(60.37%)	0.000000558	3.663373223 Hartree
269	RY(18)C10 s(12.01%)p3.58(42.98%)d3.75(45.02%)	0.000000363	3.781675178 Hartree
270	RY(19)C10 s(16.37%)p2.69(44.04%)d2.42(39.58%)	0.000000132	3.881634224 Hartree
271	RY(20)C10 s(7.41%)p2.85(21.08%)d9.65(71.52%)	0.000000077	3.295237199 Hartree
272	RY(21)C10 s(0.06%)p99.99(14.01%)d99.99(85.93%)	0.000000002	3.237380456 Hartree
273	RY(22)C10 s(6.83%)p10.05(68.58%)d3.60(24.60%)	0.000000990	2.243674697 Hartree
274	RY(1)C11 s(0.18%)p99.99(90.37%)d51.89(9.45%)	0.005462865	1.342196625 Hartree
275	RY(2)C11 s(0.00%)p1.00(98.90%)d0.01(1.10%)	0.001441880	1.433684946 Hartree
276	RY(3)C11 s(0.00%)p1.00(88.26%)d0.13(11.74%)	0.001168870	0.486390926 Hartree
277	RY(4)C11 s(39.81%)p0.08(3.34%)d1.43(56.85%)	0.000504934	2.155415274 Hartree
278	RY(5)C11 s(0.20%)p1.50(0.30%)d99.99(99.51%)	0.000425421	2.420266687 Hartree
279	RY(6)C11 s(0.00%)p1.00(41.52%)d1.41(58.48%)	0.000297863	2.141759419 Hartree
280	RY(7)C11 s(6.48%)p3.91(25.37%)d10.51(68.15%)	0.000085274	2.656162853 Hartree
281	RY(8)C11 s(0.00%)p1.00(87.20%)d0.15(12.80%)	0.000037354	1.869519188 Hartree
282	RY(9)C11 s(37.37%)p0.49(18.24%)d1.19(44.39%)	0.000037501	1.733127137 Hartree
283	RY(10)C11 s(20.30%)p1.39(28.23%)d2.53(51.46%)	0.000010916	3.424730855 Hartree
284	RY(11)C11 s(0.00%)p1.00(2.39%)d40.90(97.61%)	0.000008792	2.736170410 Hartree
285	RY(12)C11 s(13.56%)p5.41(73.38%)d0.96(13.06%)	0.000003407	2.808552204 Hartree
286	RY(13)C11 s(19.96%)p1.85(36.83%)d2.17(43.21%)	0.000001815	2.346180200 Hartree
287	RY(14)C11 s(0.00%)p1.00(89.24%)d0.12(10.76%)	0.000001645	0.775852988 Hartree
288	RY(15)C11 s(73.51%)p0.06(4.09%)d0.30(22.40%)	0.000000120	14.871780584 Hartree
289	RY(16)C11 s(8.47%)p0.00(0.04%)d10.79(91.48%)	0.000000023	3.580533256 Hartree
290	RY(17)C11 s(0.00%)p1.00(33.50%)d1.99(66.50%)	0.000000069	1.103885528 Hartree
291	RY(18)C11 s(0.00%)p1.00(1.81%)d54.35(98.19%)	0.000000011	3.379386900 Hartree
292	RY(19)C11 s(0.00%)p1.00(59.99%)d0.67(40.01%)	0.000000348	2.391296714 Hartree
293	RY(20)C11 s(69.16%)p0.14(9.57%)d0.31(21.27%)	0.000000566	4.755615500 Hartree
294	RY(21)C11 s(11.14%)p0.95(10.54%)d7.03(78.32%)	0.000000283	4.374452933 Hartree
295	RY(22)C11 s(0.00%)p1.00(97.06%)d0.03(2.94%)	0.000000027	2.849125187 Hartree
296	RY(1)C12 s(0.07%)p99.99(89.68%)d99.99(10.25%)	0.005805585	1.374326069 Hartree
297	RY(2)C12 s(0.05%)p99.99(99.28%)d14.10(0.67%)	0.001645948	1.355744107 Hartree
298	RY(3)C12 s(0.33%)p99.99(87.06%)d38.29(12.61%)	0.000975148	0.443211568 Hartree
299	RY(4)C12 s(16.96%)p0.18(3.05%)d4.72(79.99%)	0.000489639	2.263080555 Hartree
300	RY(5)C12 s(29.33%)p0.09(2.75%)d2.32(67.91%)	0.000457074	2.225827838 Hartree
301	RY(6)C12 s(0.88%)p30.13(26.41%)d82.96(72.71%)	0.000275965	2.995196154 Hartree
302	RY(7)C12 s(2.53%)p6.42(16.22%)d32.17(81.26%)	0.000097903	2.420521281 Hartree
303	RY(8)C12 s(29.74%)p1.36(40.45%)d1.00(29.82%)	0.000042364	1.620767151 Hartree
304	RY(9)C12 s(16.55%)p3.35(55.48%)d1.69(27.97%)	0.000026434	1.871432835 Hartree
305	RY(10)C12 s(8.75%)p7.24(63.34%)d3.19(27.91%)	0.000013781	2.801391932 Hartree
306	RY(11)C12 s(2.86%)p7.46(21.32%)d26.52(75.82%)	0.000009643	2.545342450 Hartree
307	RY(12)C12 s(22.55%)p0.57(12.86%)d2.86(64.59%)	0.000007532	4.534323510 Hartree
308	RY(13)C12 s(54.95%)p0.33(18.15%)d0.49(26.90%)	0.000005736	1.762005922 Hartree
309	RY(14)C12 s(30.56%)p1.44(44.12%)d0.83(25.32%)	0.000006443	4.922943709 Hartree
310	RY(15)C12 s(32.18%)p1.11(35.67%)d1.00(32.15%)	0.000002364	7.158536791 Hartree
311	RY(16)C12 s(6.57%)p5.03(33.06%)d9.19(60.37%)	0.000000558	3.663387109 Hartree
312	RY(17)C12 s(2.63%)p22.98(60.54%)d13.98(36.83%)	0.000000011	2.742611970 Hartree
313	RY(18)C12 s(7.41%)p2.84(21.08%)d9.65(71.51%)	0.000000077	3.295358765 Hartree
314	RY(19)C12 s(16.37%)p2.69(44.04%)d2.42(39.58%)	0.000000132	3.881691622 Hartree
315	RY(20)C12 s(12.00%)p3.58(42.98%)d3.75(45.01%)	0.000000363	3.781587850 Hartree
316	RY(21)C12 s(0.06%)p99.99(14.01%)d99.99(85.93%)	0.000000002	3.237392446 Hartree
317	RY(22)C12 s(6.83%)p10.04(68.57%)d3.60(24.60%)	0.000000989	2.244670850 Hartree
318	RY(1)C13 s(0.36%)p99.99(91.17%)d23.41(8.47%)	0.005482579	1.376804756 Hartree
319	RY(2)C13 s(0.18%)p99.99(90.26%)d53.93(9.56%)	0.001649327	1.235084846 Hartree
320	RY(3)C13 s(0.51%)p99.99(80.16%)d38.15(19.34%)	0.001170769	0.652356220 Hartree
321	RY(4)C13 s(41.54%)p0.22(9.19%)d1.19(49.27%)	0.000515547	2.029642349 Hartree
322	RY(5)C13 s(5.51%)p3.85(21.19%)d13.30(73.30%)	0.000453976	1.984494487 Hartree
323	RY(6)C13 s(2.23%)p18.86(42.09%)d24.95(55.68%)	0.000288959	3.216542208 Hartree
324	RY(7)C13 s(26.19%)p0.56(14.60%)d2.26(59.21%)	0.000199448	1.650927300 Hartree
325	RY(8)C13 s(2.26%)p15.26(34.56%)d27.90(63.17%)	0.000134381	2.917730240 Hartree
326	RY(9)C13 s(4.82%)p11.12(53.64%)d8.62(41.54%)	0.000063551	1.855422955 Hartree
327	RY(10)C13 s(0.85%)p63.58(54.10%)d52.95(45.05%)	0.000046600	1.585763238 Hartree
328	RY(11)C13 s(15.43%)p4.25(65.58%)d1.23(18.99%)	0.000030754	3.561968951 Hartree
329	RY(12)C13 s(10.29%)p4.82(49.54%)d3.90(40.17%)	0.000016533	4.250285563 Hartree
330	RY(13)C13 s(13.07%)p0.71(9.30%)d5.94(77.63%)	0.000009940	3.555756130 Hartree
331	RY(14)C13 s(32.90%)p0.77(25.37%)d1.27(41.73%)	0.000007573	4.117445204 Hartree
332	RY(15)C13 s(40.77%)p0.99(40.20%)d0.47(19.03%)	0.000004548	6.212721770 Hartree
333	RY(16)C13 s(24.73%)p2.28(56.36%)d0.76(18.90%)	0.000004061	4.152457774 Hartree
334	RY(17)C13 s(13.47%)p3.13(42.15%)d3.29(44.38%)	0.000002677	3.477679930 Hartree
335	RY(18)C13 s(24.32%)p1.67(40.71%)d1.44(34.97%)	0.000001527	2.850108906 Hartree
336	RY(19)C13 s(7.93%)p2.40(19.07%)d9.20(73.00%)	0.000001030	4.051291816 Hartree
337	RY(20)C13 s(5.43%)p2.30(12.51%)d15.10(82.06%)	0.000000031	3.293488225 Hartree
338	RY(21)C13 s(10.69%)p1.60(17.08%)d6.76(72.23%)	0.000000277	3.084299969 Hartree
339	RY(22)C13 s(16.66%)p1.88(31.34%)d3.12(52.00%)	0.000000933	2.953962156 Hartree
340	RY(1)H14 s(95.13%)p0.05(4.87%)	0.000690241	0.932636291 Hartree
341	RY(2)H14 s(63.77%)p0.57(36.23%)	0.000229478	2.713133599 Hartree
342	RY(3)H14 s(1.16%)p85.16(98.84%)	0.000098180	1.907956154 Hartree
343	RY(4)H14 s(6.13%)p15.30(93.87%)	0.000050879	2.247300344 Hartree
344	RY(5)H14 s(33.87%)p1.95(66.13%)	0.000015833	2.216966497 Hartree
345	RY(1)H15 s(92.67%)p0.08(7.33%)	0.000816120	1.080696495 Hartree
346	RY(2)H15 s(63.25%)p0.58(36.75%)	0.000165882	2.540463416 Hartree
347	RY(3)H15 s(0.29%)p99.99(99.71%)	0.000080277	1.855862658 Hartree
348	RY(4)H15 s(0.55%)p99.99(99.45%)	0.000045396	2.260896374 Hartree
349	RY(5)H15 s(43.30%)p1.31(56.70%)	0.000022254	2.247876393 Hartree
350	RY(1)H16 s(86.53%)p0.16(13.47%)	0.000771974	1.207482759 Hartree
351	RY(2)H16 s(65.32%)p0.53(34.68%)	0.000153632	2.411082702 Hartree
352	RY(3)H16 s(0.00%)p1.00(100.00%)	0.000075558	1.834331229 Hartree
353	RY(4)H16 s(0.00%)p1.00(100.00%)	0.000044160	2.246811104 Hartree
354	RY(5)H16 s(48.22%)p1.07(51.78%)	0.000017850	2.154527101 Hartree
355	RY(1)H17 s(92.67%)p0.08(7.33%)	0.000816120	1.080696493 Hartree
356	RY(2)H17 s(63.25%)p0.58(36.75%)	0.000165882	2.540463416 Hartree
357	RY(3)H17 s(0.29%)p99.99(99.71%)	0.000080277	1.855862659 Hartree
358	RY(4)H17 s(0.55%)p99.99(99.45%)	0.000045396	2.260896374 Hartree
359	RY(5)H17 s(43.30%)p1.31(56.70%)	0.000022254	2.247876393 Hartree
360	RY(1)H18 s(95.13%)p0.05(4.87%)	0.000690241	0.932636288 Hartree
361	RY(2)H18 s(63.77%)p0.57(36.23%)	0.000229478	2.713133599 Hartree
362	RY(3)H18 s(1.16%)p85.16(98.84%)	0.000098180	1.907956154 Hartree
363	RY(4)H18 s(6.13%)p15.30(93.87%)	0.000050879	2.247300345 Hartree
364	RY(5)H18 s(33.87%)p1.95(66.13%)	0.000015833	2.216966497 Hartree
365	RY(1)H19 s(95.13%)p0.05(4.87%)	0.000690241	0.932636289 Hartree
366	RY(2)H19 s(63.77%)p0.57(36.23%)	0.000229478	2.713133599 Hartree
367	RY(3)H19 s(1.16%)p85.16(98.84%)	0.000098180	1.907956154 Hartree
368	RY(4)H19 s(6.13%)p15.30(93.87%)	0.000050879	2.247300344 Hartree
369	RY(5)H19 s(33.87%)p1.95(66.13%)	0.000015833	2.216966497 Hartree
370	RY(1)H20 s(92.67%)p0.08(7.33%)	0.000816120	1.080696493 Hartree
371	RY(2)H20 s(63.25%)p0.58(36.75%)	0.000165882	2.540463416 Hartree
372	RY(3)H20 s(0.29%)p99.99(99.71%)	0.000080277	1.855862659 Hartree
373	RY(4)H20 s(0.55%)p99.99(99.45%)	0.000045396	2.260896374 Hartree
374	RY(5)H20 s(43.30%)p1.31(56.70%)	0.000022254	2.247876393 Hartree
375	RY(1)H21 s(86.53%)p0.16(13.47%)	0.000771974	1.207482757 Hartree
376	RY(2)H21 s(65.32%)p0.53(34.68%)	0.000153632	2.411082702 Hartree
377	RY(3)H21 s(0.00%)p1.00(100.00%)	0.000075558	1.834331229 Hartree
378	RY(4)H21 s(0.00%)p1.00(100.00%)	0.000044160	2.246811104 Hartree
379	RY(5)H21 s(48.22%)p1.07(51.78%)	0.000017850	2.154527101 Hartree
380	RY(1)H22 s(92.67%)p0.08(7.33%)	0.000816120	1.080696493 Hartree
381	RY(2)H22 s(63.25%)p0.58(36.75%)	0.000165882	2.540463416 Hartree
382	RY(3)H22 s(0.29%)p99.99(99.71%)	0.000080277	1.855862659 Hartree
383	RY(4)H22 s(0.55%)p99.99(99.45%)	0.000045396	2.260896374 Hartree
384	RY(5)H22 s(43.30%)p1.31(56.70%)	0.000022254	2.247876393 Hartree

Natural Bond Orbitals

Display Range		- / 384
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	CR(1)C1	377	1.999993607	-10.543931276 Hartree
2	CR(1)C2	378	1.999993660	-10.542899989 Hartree
3	CR(1)C3	379	1.999993607	-10.543931276 Hartree
4	CR(1)C4	380	1.999993352	-10.543567665 Hartree
5	CR(1)C5	381	1.999993064	-10.554257387 Hartree
6	CR(1)C6	382	1.999993352	-10.543567665 Hartree
7	CR(1)C8	383	1.999993064	-10.554257387 Hartree
8	CR(1)C9	384	1.999993352	-10.543567665 Hartree
9	CR(1)C10	385	1.999993607	-10.543931276 Hartree
10	CR(1)C11	386	1.999993660	-10.542899989 Hartree
11	CR(1)C12	387	1.999993607	-10.543931276 Hartree
12	CR(1)C13	388	1.999993352	-10.543567665 Hartree
13	BD(1)C1-C2	389, 390	1.978595793	-0.668509526 Hartree
14	BD(2)C1-C2	391, 392	1.660601421	-0.291673046 Hartree
15	BD(1)C1-C6	393, 394	1.977623672	-0.668368839 Hartree
16	BD(1)C1-H22	395, 396	1.981066566	-0.552446519 Hartree
17	BD(1)C2-C3	397, 398	1.978592892	-0.668509423 Hartree
18	BD(1)C2-H21	399, 400	1.981291299	-0.552827968 Hartree
19	BD(1)C3-C4	401, 402	1.977627481	-0.668369133 Hartree
20	BD(2)C3-C4	403, 404	1.667994922	-0.292591633 Hartree
21	BD(1)C3-H20	405, 406	1.981063753	-0.552445675 Hartree
22	BD(1)C4-C5	407, 408	1.970530132	-0.661402498 Hartree
23	BD(1)C4-H19	409, 410	1.980049356	-0.550852828 Hartree
24	BD(1)C5-C6	411, 412	1.970558331	-0.661319129 Hartree
25	BD(2)C5-C6	413, 414	1.642080440	-0.288167693 Hartree
26	BD(1)C5-C8	415, 416	1.969875901	-0.624468140 Hartree
27	BD(1)C6-H7	417, 418	1.980046131	-0.550854041 Hartree
28	BD(1)C8-C9	419, 420	1.970530132	-0.661402498 Hartree
29	BD(1)C8-C13	421, 422	1.970558331	-0.661319129 Hartree
30	BD(2)C8-C13	423, 424	1.642080440	-0.288167693 Hartree
31	BD(1)C9-C10	425, 426	1.977627481	-0.668369133 Hartree
32	BD(2)C9-C10	427, 428	1.667994922	-0.292591633 Hartree
33	BD(1)C9-H18	429, 430	1.980049356	-0.550852828 Hartree
34	BD(1)C10-C11	431, 432	1.978592892	-0.668509423 Hartree
35	BD(1)C10-H17	433, 434	1.981063753	-0.552445675 Hartree
36	BD(1)C11-C12	435, 436	1.978595793	-0.668509526 Hartree
37	BD(2)C11-C12	437, 438	1.660601421	-0.291673046 Hartree
38	BD(1)C11-H16	439, 440	1.981291299	-0.552827968 Hartree
39	BD(1)C12-C13	441, 442	1.977623672	-0.668368839 Hartree
40	BD(1)C12-H15	443, 444	1.981066566	-0.552446519 Hartree
41	BD(1)C13-H14	445, 446	1.980046131	-0.550854041 Hartree
42	BD*(1)C1-C2		0.015879784	0.637537914 Hartree
43	BD*(2)C1-C2		0.335913706	0.063827747 Hartree
44	BD*(1)C1-C6		0.015205363	0.639566843 Hartree
45	BD*(1)C1-H22		0.013923768	0.502344541 Hartree
46	BD*(1)C2-C3		0.015877487	0.637541019 Hartree
47	BD*(1)C2-H21		0.013854859	0.503265606 Hartree
48	BD*(1)C3-C4		0.015206812	0.639565859 Hartree
49	BD*(2)C3-C4		0.325685727	0.065335760 Hartree
50	BD*(1)C3-H20		0.013921601	0.502347108 Hartree
51	BD*(1)C4-C5		0.024025889	0.631292813 Hartree
52	BD*(1)C4-H19		0.014299981	0.503657717 Hartree
53	BD*(1)C5-C6		0.024002431	0.631093049 Hartree
54	BD*(2)C5-C6		0.358136718	0.068041193 Hartree
55	BD*(1)C5-C8		0.031110368	0.536959199 Hartree
56	BD*(1)C6-H7		0.014298404	0.503664325 Hartree
57	BD*(1)C8-C9		0.024025889	0.631292813 Hartree
58	BD*(1)C8-C13		0.024002431	0.631093049 Hartree
59	BD*(2)C8-C13		0.358136718	0.068041193 Hartree
60	BD*(1)C9-C10		0.015206812	0.639565859 Hartree
61	BD*(2)C9-C10		0.325685727	0.065335760 Hartree
62	BD*(1)C9-H18		0.014299981	0.503657717 Hartree
63	BD*(1)C10-C11		0.015877487	0.637541019 Hartree
64	BD*(1)C10-H17		0.013921601	0.502347108 Hartree
65	BD*(1)C11-C12		0.015879784	0.637537914 Hartree
66	BD*(2)C11-C12		0.335913706	0.063827747 Hartree
67	BD*(1)C11-H16		0.013854859	0.503265606 Hartree
68	BD*(1)C12-C13		0.015205363	0.639566843 Hartree
69	BD*(1)C12-H15		0.013923768	0.502344541 Hartree
70	BD*(1)C13-H14		0.014298404	0.503664325 Hartree
71	RY(1)C1	447	0.005805585	1.374326064 Hartree
72	RY(2)C1	448	0.001645948	1.355744106 Hartree
73	RY(3)C1	449	0.000975148	0.443211567 Hartree
74	RY(4)C1	450	0.000489639	2.263080558 Hartree
75	RY(5)C1	451	0.000457074	2.225827843 Hartree
76	RY(6)C1	452	0.000275965	2.995196139 Hartree
77	RY(7)C1	453	0.000097903	2.420521024 Hartree
78	RY(8)C1	454	0.000042364	1.620766128 Hartree
79	RY(9)C1	455	0.000026434	1.871432332 Hartree
80	RY(10)C1	456	0.000013781	2.801374698 Hartree
81	RY(11)C1	457	0.000009643	2.545343485 Hartree
82	RY(12)C1	458	0.000007532	4.534303033 Hartree
83	RY(13)C1	459	0.000005736	1.761993415 Hartree
84	RY(14)C1	460	0.000006443	4.922996748 Hartree
85	RY(15)C1	461	0.000002364	7.158503797 Hartree
86	RY(16)C1	462	0.000000558	3.663346267 Hartree
87	RY(17)C1	463	0.000000011	2.742556454 Hartree
88	RY(18)C1	464	0.000000077	3.295571692 Hartree
89	RY(19)C1	465	0.000000132	3.881590820 Hartree
90	RY(20)C1	466	0.000000363	3.781578456 Hartree
91	RY(21)C1	467	0.000000002	3.237414226 Hartree
92	RY(22)C1	468	0.000000989	2.244669190 Hartree
93	RY(1)C2	469	0.005462865	1.342196626 Hartree
94	RY(2)C2	470	0.001441880	1.433684941 Hartree
95	RY(3)C2	471	0.001168870	0.486390926 Hartree
96	RY(4)C2	472	0.000504934	2.155415295 Hartree
97	RY(5)C2	473	0.000425421	2.420266687 Hartree
98	RY(6)C2	474	0.000297863	2.141759308 Hartree
99	RY(7)C2	475	0.000085274	2.656162945 Hartree
100	RY(8)C2	476	0.000037354	1.869519007 Hartree
101	RY(9)C2	477	0.000037501	1.733127141 Hartree
102	RY(10)C2	478	0.000010916	3.424729570 Hartree
103	RY(11)C2	479	0.000008792	2.736170422 Hartree
104	RY(12)C2	480	0.000003407	2.808544519 Hartree
105	RY(13)C2	481	0.000001815	2.346183247 Hartree
106	RY(14)C2	482	0.000001645	0.775853092 Hartree
107	RY(15)C2	483	0.000000120	14.871548639 Hartree
108	RY(16)C2	484	0.000000023	3.580563111 Hartree
109	RY(17)C2	485	0.000000069	1.103885800 Hartree
110	RY(18)C2	486	0.000000011	3.379386881 Hartree
111	RY(19)C2	487	0.000000348	2.391296683 Hartree
112	RY(20)C2	488	0.000000566	4.755756058 Hartree
113	RY(21)C2	489	0.000000283	4.374521572 Hartree
114	RY(22)C2	490	0.000000027	2.849124807 Hartree
115	RY(1)C3	491	0.005805731	1.374313729 Hartree
116	RY(2)C3	492	0.001645694	1.356087683 Hartree
117	RY(3)C3	493	0.000997789	0.479098651 Hartree
118	RY(4)C3	494	0.000485476	2.201373935 Hartree
119	RY(5)C3	495	0.000447161	2.251551250 Hartree
120	RY(6)C3	496	0.000275965	2.995144685 Hartree
121	RY(7)C3	497	0.000097904	2.420460986 Hartree
122	RY(8)C3	498	0.000042365	1.620701675 Hartree
123	RY(9)C3	499	0.000026431	1.871393075 Hartree
124	RY(10)C3	500	0.000013781	2.802204521 Hartree
125	RY(11)C3	501	0.000009643	2.545948604 Hartree
126	RY(12)C3	502	0.000007533	4.533036677 Hartree
127	RY(13)C3	503	0.000005736	1.761981611 Hartree
128	RY(14)C3	504	0.000006443	4.923276954 Hartree
129	RY(15)C3	505	0.000002364	7.159134613 Hartree
130	RY(16)C3	506	0.000000011	2.742660342 Hartree
131	RY(17)C3	507	0.000000558	3.663411377 Hartree
132	RY(18)C3	508	0.000000363	3.781721936 Hartree
133	RY(19)C3	509	0.000000132	3.881416289 Hartree
134	RY(20)C3	510	0.000000077	3.295322449 Hartree
135	RY(21)C3	511	0.000000002	3.237427684 Hartree
136	RY(22)C3	512	0.000000990	2.243614561 Hartree
137	RY(1)C4	513	0.005483438	1.376900710 Hartree
138	RY(2)C4	514	0.001650447	1.235565922 Hartree
139	RY(3)C4	515	0.001056078	0.580028402 Hartree
140	RY(4)C4	516	0.000527572	2.025597399 Hartree
141	RY(5)C4	517	0.000481340	2.053473534 Hartree
142	RY(6)C4	518	0.000289228	3.226953531 Hartree
143	RY(7)C4	519	0.000199324	1.650699465 Hartree
144	RY(8)C4	520	0.000134457	2.917144093 Hartree
145	RY(9)C4	521	0.000063503	1.854741569 Hartree
146	RY(10)C4	522	0.000046599	1.586155821 Hartree
147	RY(11)C4	523	0.000030748	3.558842683 Hartree
148	RY(12)C4	524	0.000016529	4.250926243 Hartree
149	RY(13)C4	525	0.000009941	3.556696369 Hartree
150	RY(14)C4	526	0.000007573	4.117232952 Hartree
151	RY(15)C4	527	0.000004549	6.210031604 Hartree
152	RY(16)C4	528	0.000004061	4.153851303 Hartree
153	RY(17)C4	529	0.000002679	3.478415044 Hartree
154	RY(18)C4	530	0.000001527	2.850033150 Hartree
155	RY(19)C4	531	0.000001030	4.051660755 Hartree
156	RY(20)C4	532	0.000000933	2.953865069 Hartree
157	RY(21)C4	533	0.000000277	3.084415921 Hartree
158	RY(22)C4	534	0.000000031	3.293415131 Hartree
159	RY(1)C5	535	0.007314509	1.400746989 Hartree
160	RY(2)C5	536	0.005114512	1.051683258 Hartree
161	RY(3)C5	537	0.001173931	1.561254308 Hartree
162	RY(4)C5	538	0.000730748	2.801786451 Hartree
163	RY(5)C5	539	0.000585289	2.819585250 Hartree
164	RY(6)C5	540	0.000538127	2.817220372 Hartree
165	RY(7)C5	541	0.000298905	2.472172877 Hartree
166	RY(8)C5	542	0.000260119	4.117251277 Hartree
167	RY(9)C5	543	0.000227622	1.856398823 Hartree
168	RY(10)C5	544	0.000160679	3.425851965 Hartree
169	RY(11)C5	545	0.000151894	2.330325427 Hartree
170	RY(12)C5	546	0.000077096	1.314599872 Hartree
171	RY(13)C5	547	0.000077430	6.139345967 Hartree
172	RY(14)C5	548	0.000033939	3.097352104 Hartree
173	RY(15)C5	549	0.000013112	7.786094909 Hartree
174	RY(16)C5	550	0.000007274	2.546638188 Hartree
175	RY(17)C5	551	0.000004903	0.708064620 Hartree
176	RY(18)C5	552	0.000003537	3.190945135 Hartree
177	RY(19)C5	553	0.000001284	3.305458221 Hartree
178	RY(20)C5	554	0.000000685	2.635544732 Hartree
179	RY(21)C5	555	0.000000438	3.491648731 Hartree
180	RY(22)C5	556	0.000000506	2.875995778 Hartree
181	RY(1)C6	557	0.005482579	1.376804759 Hartree
182	RY(2)C6	558	0.001649327	1.235084838 Hartree
183	RY(3)C6	559	0.001170769	0.652356220 Hartree
184	RY(4)C6	560	0.000515547	2.029642291 Hartree
185	RY(5)C6	561	0.000453976	1.984494499 Hartree
186	RY(6)C6	562	0.000288959	3.216542209 Hartree
187	RY(7)C6	563	0.000199448	1.650927266 Hartree
188	RY(8)C6	564	0.000134381	2.917729611 Hartree
189	RY(9)C6	565	0.000063551	1.855421691 Hartree
190	RY(10)C6	566	0.000046600	1.585762562 Hartree
191	RY(11)C6	567	0.000030754	3.561976563 Hartree
192	RY(12)C6	568	0.000016533	4.250285136 Hartree
193	RY(13)C6	569	0.000009940	3.555755243 Hartree
194	RY(14)C6	570	0.000007573	4.117292116 Hartree
195	RY(15)C6	571	0.000004548	6.212790430 Hartree
196	RY(16)C6	572	0.000004061	4.152704399 Hartree
197	RY(17)C6	573	0.000002677	3.477676490 Hartree
198	RY(18)C6	574	0.000001528	2.850121422 Hartree
199	RY(19)C6	575	0.000001030	4.051529043 Hartree
200	RY(20)C6	576	0.000000031	3.293446010 Hartree
201	RY(21)C6	577	0.000000277	3.084128286 Hartree
202	RY(22)C6	578	0.000000933	2.953746835 Hartree
203	RY(1)H7	579	0.000690241	0.932636289 Hartree
204	RY(2)H7	580	0.000229478	2.713133599 Hartree
205	RY(3)H7	581	0.000098180	1.907956154 Hartree
206	RY(4)H7	582	0.000050879	2.247300345 Hartree
207	RY(5)H7	583	0.000015833	2.216966497 Hartree
208	RY(1)C8	584	0.007314509	1.400746979 Hartree
209	RY(2)C8	585	0.005114512	1.051683259 Hartree
210	RY(3)C8	586	0.001173931	1.561254310 Hartree
211	RY(4)C8	587	0.000730748	2.801786598 Hartree
212	RY(5)C8	588	0.000585289	2.819585261 Hartree
213	RY(6)C8	589	0.000538127	2.817220375 Hartree
214	RY(7)C8	590	0.000298905	2.472172897 Hartree
215	RY(8)C8	591	0.000260119	4.117251811 Hartree
216	RY(9)C8	592	0.000227622	1.856398473 Hartree
217	RY(10)C8	593	0.000160679	3.425851423 Hartree
218	RY(11)C8	594	0.000151894	2.330325455 Hartree
219	RY(12)C8	595	0.000077096	1.314600779 Hartree
220	RY(13)C8	596	0.000077430	6.139344293 Hartree
221	RY(14)C8	597	0.000033939	3.097351284 Hartree
222	RY(15)C8	598	0.000013112	7.786099156 Hartree
223	RY(16)C8	599	0.000007274	2.546638144 Hartree
224	RY(17)C8	600	0.000004903	0.708064611 Hartree
225	RY(18)C8	601	0.000003537	3.190945186 Hartree
226	RY(19)C8	602	0.000001284	3.305458319 Hartree
227	RY(20)C8	603	0.000000685	2.635459323 Hartree
228	RY(21)C8	604	0.000000438	3.491739912 Hartree
229	RY(22)C8	605	0.000000506	2.875995724 Hartree
230	RY(1)C9	606	0.005483438	1.376900709 Hartree
231	RY(2)C9	607	0.001650447	1.235565922 Hartree
232	RY(3)C9	608	0.001056078	0.580028401 Hartree
233	RY(4)C9	609	0.000527572	2.025597405 Hartree
234	RY(5)C9	610	0.000481340	2.053473547 Hartree
235	RY(6)C9	611	0.000289228	3.226953549 Hartree
236	RY(7)C9	612	0.000199324	1.650699561 Hartree
237	RY(8)C9	613	0.000134457	2.917143976 Hartree
238	RY(9)C9	614	0.000063503	1.854742076 Hartree
239	RY(10)C9	615	0.000046599	1.586155625 Hartree
240	RY(11)C9	616	0.000030748	3.558841466 Hartree
241	RY(12)C9	617	0.000016529	4.250926638 Hartree
242	RY(13)C9	618	0.000009941	3.556695241 Hartree
243	RY(14)C9	619	0.000007573	4.117282639 Hartree
244	RY(15)C9	620	0.000004549	6.210121296 Hartree
245	RY(16)C9	621	0.000004061	4.153704833 Hartree
246	RY(17)C9	622	0.000002679	3.478392931 Hartree
247	RY(18)C9	623	0.000001527	2.850032232 Hartree
248	RY(19)C9	624	0.000001030	4.051533286 Hartree
249	RY(20)C9	625	0.000000933	2.953963870 Hartree
250	RY(21)C9	626	0.000000277	3.084472994 Hartree
251	RY(22)C9	627	0.000000031	3.293428065 Hartree
252	RY(1)C10	628	0.005805731	1.374313728 Hartree
253	RY(2)C10	629	0.001645694	1.356087681 Hartree
254	RY(3)C10	630	0.000997789	0.479098652 Hartree
255	RY(4)C10	631	0.000485476	2.201373977 Hartree
256	RY(5)C10	632	0.000447161	2.251551260 Hartree
257	RY(6)C10	633	0.000275965	2.995144672 Hartree
258	RY(7)C10	634	0.000097904	2.420461183 Hartree
259	RY(8)C10	635	0.000042365	1.620700624 Hartree
260	RY(9)C10	636	0.000026431	1.871393487 Hartree
261	RY(10)C10	637	0.000013781	2.802214734 Hartree
262	RY(11)C10	638	0.000009643	2.545955596 Hartree
263	RY(12)C10	639	0.000007532	4.533242439 Hartree
264	RY(13)C10	640	0.000005736	1.761967776 Hartree
265	RY(14)C10	641	0.000006443	4.923085951 Hartree
266	RY(15)C10	642	0.000002364	7.159152138 Hartree
267	RY(16)C10	643	0.000000011	2.742565537 Hartree
268	RY(17)C10	644	0.000000558	3.663373223 Hartree
269	RY(18)C10	645	0.000000363	3.781675178 Hartree
270	RY(19)C10	646	0.000000132	3.881634224 Hartree
271	RY(20)C10	647	0.000000077	3.295237199 Hartree
272	RY(21)C10	648	0.000000002	3.237380456 Hartree
273	RY(22)C10	649	0.000000990	2.243674697 Hartree
274	RY(1)C11	650	0.005462865	1.342196625 Hartree
275	RY(2)C11	651	0.001441880	1.433684946 Hartree
276	RY(3)C11	652	0.001168870	0.486390926 Hartree
277	RY(4)C11	653	0.000504934	2.155415274 Hartree
278	RY(5)C11	654	0.000425421	2.420266687 Hartree
279	RY(6)C11	655	0.000297863	2.141759419 Hartree
280	RY(7)C11	656	0.000085274	2.656162853 Hartree
281	RY(8)C11	657	0.000037354	1.869519188 Hartree
282	RY(9)C11	658	0.000037501	1.733127137 Hartree
283	RY(10)C11	659	0.000010916	3.424730855 Hartree
284	RY(11)C11	660	0.000008792	2.736170410 Hartree
285	RY(12)C11	661	0.000003407	2.808552204 Hartree
286	RY(13)C11	662	0.000001815	2.346180200 Hartree
287	RY(14)C11	663	0.000001645	0.775852988 Hartree
288	RY(15)C11	664	0.000000120	14.871780584 Hartree
289	RY(16)C11	665	0.000000023	3.580533256 Hartree
290	RY(17)C11	666	0.000000069	1.103885528 Hartree
291	RY(18)C11	667	0.000000011	3.379386900 Hartree
292	RY(19)C11	668	0.000000348	2.391296714 Hartree
293	RY(20)C11	669	0.000000566	4.755615500 Hartree
294	RY(21)C11	670	0.000000283	4.374452933 Hartree
295	RY(22)C11	671	0.000000027	2.849125187 Hartree
296	RY(1)C12	672	0.005805585	1.374326069 Hartree
297	RY(2)C12	673	0.001645948	1.355744107 Hartree
298	RY(3)C12	674	0.000975148	0.443211568 Hartree
299	RY(4)C12	675	0.000489639	2.263080555 Hartree
300	RY(5)C12	676	0.000457074	2.225827838 Hartree
301	RY(6)C12	677	0.000275965	2.995196154 Hartree
302	RY(7)C12	678	0.000097903	2.420521281 Hartree
303	RY(8)C12	679	0.000042364	1.620767151 Hartree
304	RY(9)C12	680	0.000026434	1.871432835 Hartree
305	RY(10)C12	681	0.000013781	2.801391932 Hartree
306	RY(11)C12	682	0.000009643	2.545342450 Hartree
307	RY(12)C12	683	0.000007532	4.534323510 Hartree
308	RY(13)C12	684	0.000005736	1.762005922 Hartree
309	RY(14)C12	685	0.000006443	4.922943709 Hartree
310	RY(15)C12	686	0.000002364	7.158536791 Hartree
311	RY(16)C12	687	0.000000558	3.663387109 Hartree
312	RY(17)C12	688	0.000000011	2.742611970 Hartree
313	RY(18)C12	689	0.000000077	3.295358765 Hartree
314	RY(19)C12	690	0.000000132	3.881691622 Hartree
315	RY(20)C12	691	0.000000363	3.781587850 Hartree
316	RY(21)C12	692	0.000000002	3.237392446 Hartree
317	RY(22)C12	693	0.000000989	2.244670850 Hartree
318	RY(1)C13	694	0.005482579	1.376804756 Hartree
319	RY(2)C13	695	0.001649327	1.235084846 Hartree
320	RY(3)C13	696	0.001170769	0.652356220 Hartree
321	RY(4)C13	697	0.000515547	2.029642349 Hartree
322	RY(5)C13	698	0.000453976	1.984494487 Hartree
323	RY(6)C13	699	0.000288959	3.216542208 Hartree
324	RY(7)C13	700	0.000199448	1.650927300 Hartree
325	RY(8)C13	701	0.000134381	2.917730240 Hartree
326	RY(9)C13	702	0.000063551	1.855422955 Hartree
327	RY(10)C13	703	0.000046600	1.585763238 Hartree
328	RY(11)C13	704	0.000030754	3.561968951 Hartree
329	RY(12)C13	705	0.000016533	4.250285563 Hartree
330	RY(13)C13	706	0.000009940	3.555756130 Hartree
331	RY(14)C13	707	0.000007573	4.117445204 Hartree
332	RY(15)C13	708	0.000004548	6.212721770 Hartree
333	RY(16)C13	709	0.000004061	4.152457774 Hartree
334	RY(17)C13	710	0.000002677	3.477679930 Hartree
335	RY(18)C13	711	0.000001527	2.850108906 Hartree
336	RY(19)C13	712	0.000001030	4.051291816 Hartree
337	RY(20)C13	713	0.000000031	3.293488225 Hartree
338	RY(21)C13	714	0.000000277	3.084299969 Hartree
339	RY(22)C13	715	0.000000933	2.953962156 Hartree
340	RY(1)H14	716	0.000690241	0.932636291 Hartree
341	RY(2)H14	717	0.000229478	2.713133599 Hartree
342	RY(3)H14	718	0.000098180	1.907956154 Hartree
343	RY(4)H14	719	0.000050879	2.247300344 Hartree
344	RY(5)H14	720	0.000015833	2.216966497 Hartree
345	RY(1)H15	721	0.000816120	1.080696495 Hartree
346	RY(2)H15	722	0.000165882	2.540463416 Hartree
347	RY(3)H15	723	0.000080277	1.855862658 Hartree
348	RY(4)H15	724	0.000045396	2.260896374 Hartree
349	RY(5)H15	725	0.000022254	2.247876393 Hartree
350	RY(1)H16	726	0.000771974	1.207482759 Hartree
351	RY(2)H16	727	0.000153632	2.411082702 Hartree
352	RY(3)H16	728	0.000075558	1.834331229 Hartree
353	RY(4)H16	729	0.000044160	2.246811104 Hartree
354	RY(5)H16	730	0.000017850	2.154527101 Hartree
355	RY(1)H17	731	0.000816120	1.080696493 Hartree
356	RY(2)H17	732	0.000165882	2.540463416 Hartree
357	RY(3)H17	733	0.000080277	1.855862659 Hartree
358	RY(4)H17	734	0.000045396	2.260896374 Hartree
359	RY(5)H17	735	0.000022254	2.247876393 Hartree
360	RY(1)H18	736	0.000690241	0.932636288 Hartree
361	RY(2)H18	737	0.000229478	2.713133599 Hartree
362	RY(3)H18	738	0.000098180	1.907956154 Hartree
363	RY(4)H18	739	0.000050879	2.247300345 Hartree
364	RY(5)H18	740	0.000015833	2.216966497 Hartree
365	RY(1)H19	741	0.000690241	0.932636289 Hartree
366	RY(2)H19	742	0.000229478	2.713133599 Hartree
367	RY(3)H19	743	0.000098180	1.907956154 Hartree
368	RY(4)H19	744	0.000050879	2.247300344 Hartree
369	RY(5)H19	745	0.000015833	2.216966497 Hartree
370	RY(1)H20	746	0.000816120	1.080696493 Hartree
371	RY(2)H20	747	0.000165882	2.540463416 Hartree
372	RY(3)H20	748	0.000080277	1.855862659 Hartree
373	RY(4)H20	749	0.000045396	2.260896374 Hartree
374	RY(5)H20	750	0.000022254	2.247876393 Hartree
375	RY(1)H21	751	0.000771974	1.207482757 Hartree
376	RY(2)H21	752	0.000153632	2.411082702 Hartree
377	RY(3)H21	753	0.000075558	1.834331229 Hartree
378	RY(4)H21	754	0.000044160	2.246811104 Hartree
379	RY(5)H21	755	0.000017850	2.154527101 Hartree
380	RY(1)H22	756	0.000816120	1.080696493 Hartree
381	RY(2)H22	757	0.000165882	2.540463416 Hartree
382	RY(3)H22	758	0.000080277	1.855862659 Hartree
383	RY(4)H22	759	0.000045396	2.260896374 Hartree
384	RY(5)H22	760	0.000022254	2.247876393 Hartree

Quote

VIRTUE IS LEARNED AT YOUR MOTHER'S KNEE, VICES ARE PICKED UP AT SOME OTHER JOINT.

WebMO Job Summary

125030: Biphenyl, Natural Bond Orbitals 6.0/NRT - Gaussian

Calculated Quantities

Overview

Rotational Constants

Partial Charges

Molecular Orbitals

Natural Population Analysis

Natural Atomic Orbitals

Natural Hybrid Orbitals

Natural Bond Orbitals

Quote