WebMO Job Summary

Overview

Quantity	Value
Route	#N B3LYP/6-311+G(2d,p) SP GFINPUT POP=(FULL,NBORead) Geom=Connectivity
Stoichiometry	C₁₀H₁₂O
Symmetry	CS
Basis	6-311+G(2d,p)
RB3LYP Energy	-463.66453177 Hartree
Dipole Moment	3.8008 Debye
Server	batch (413707)
CPU time	636.8 sec

Rotational Constants

Constant	Frequency (GHz)	Frequency (cm^-1)
a	3.2252430	0.10758252631
b	0.5541751	0.01848529158
c	0.4770832	0.01591378259

Partial Charges

Atom	Symbol	Charge
1	C	-0.496089
2	C	-0.473082
3	H	0.123590
4	H	0.126250
5	H	0.126250
6	C	0.951734
7	C	-0.832201
8	C	-0.086261
9	C	0.768260
10	C	-0.904818
11	C	0.105013
12	H	0.082627
13	H	0.093396
14	C	0.495170
15	C	-0.521423
16	H	0.149598
17	H	0.138459
18	H	0.138459
19	O	-0.465372
20	H	0.124113
21	H	0.093814
22	H	0.131257
23	H	0.131257

Molecular Orbitals

Display Range		- / 368
Orbital	Symmetry	Occupancy	Energy	Actions
1	-	2	-19.10918 Hartree
2	-	2	-10.26174 Hartree
3	-	2	-10.19706 Hartree
4	-	2	-10.18922 Hartree
5	-	2	-10.18596 Hartree
6	-	2	-10.18556 Hartree
7	-	2	-10.18231 Hartree
8	-	2	-10.18215 Hartree
9	-	2	-10.18041 Hartree
10	-	2	-10.17395 Hartree
11	-	2	-10.17058 Hartree
12	-	2	-1.04342 Hartree
13	-	2	-0.87555 Hartree
14	-	2	-0.80714 Hartree
15	-	2	-0.76351 Hartree
16	-	2	-0.75748 Hartree
17	-	2	-0.72916 Hartree
18	-	2	-0.66004 Hartree
19	-	2	-0.61863 Hartree
20	-	2	-0.60016 Hartree
21	-	2	-0.56078 Hartree
22	-	2	-0.50705 Hartree
23	-	2	-0.47806 Hartree
24	-	2	-0.46520 Hartree
25	-	2	-0.46276 Hartree
26	-	2	-0.45757 Hartree
27	-	2	-0.44864 Hartree
28	-	2	-0.43296 Hartree
29	-	2	-0.42560 Hartree
30	-	2	-0.41194 Hartree
31	-	2	-0.38865 Hartree
32	-	2	-0.38685 Hartree
33	-	2	-0.37975 Hartree
34	-	2	-0.37056 Hartree
35	-	2	-0.35465 Hartree
36	-	2	-0.35061 Hartree
37	-	2	-0.34646 Hartree
38	-	2	-0.26896 Hartree
39	-	2	-0.25782 Hartree
40	-	2	-0.25630 Hartree
41	-	0	-0.06444 Hartree
42	-	0	-0.02383 Hartree
43	-	0	-0.00352 Hartree
44	-	0	0.00601 Hartree
45	-	0	0.01559 Hartree
46	-	0	0.01852 Hartree
47	-	0	0.02837 Hartree
48	-	0	0.03500 Hartree
49	-	0	0.04184 Hartree
50	-	0	0.04561 Hartree
51	-	0	0.05244 Hartree
52	-	0	0.05340 Hartree
53	-	0	0.05907 Hartree
54	-	0	0.07017 Hartree
55	-	0	0.07295 Hartree
56	-	0	0.08011 Hartree
57	-	0	0.08128 Hartree
58	-	0	0.08896 Hartree
59	-	0	0.10199 Hartree
60	-	0	0.10552 Hartree
61	-	0	0.10796 Hartree
62	-	0	0.10860 Hartree
63	-	0	0.12236 Hartree
64	-	0	0.12935 Hartree
65	-	0	0.13130 Hartree
66	-	0	0.14262 Hartree
67	-	0	0.14483 Hartree
68	-	0	0.14755 Hartree
69	-	0	0.14785 Hartree
70	-	0	0.15995 Hartree
71	-	0	0.16148 Hartree
72	-	0	0.17347 Hartree
73	-	0	0.17805 Hartree
74	-	0	0.18521 Hartree
75	-	0	0.18826 Hartree
76	-	0	0.19197 Hartree
77	-	0	0.19331 Hartree
78	-	0	0.19404 Hartree
79	-	0	0.19933 Hartree
80	-	0	0.20544 Hartree
81	-	0	0.21047 Hartree
82	-	0	0.21282 Hartree
83	-	0	0.21397 Hartree
84	-	0	0.21916 Hartree
85	-	0	0.23268 Hartree
86	-	0	0.23824 Hartree
87	-	0	0.23932 Hartree
88	-	0	0.24395 Hartree
89	-	0	0.24536 Hartree
90	-	0	0.25173 Hartree
91	-	0	0.25763 Hartree
92	-	0	0.26499 Hartree
93	-	0	0.27825 Hartree
94	-	0	0.28383 Hartree
95	-	0	0.28759 Hartree
96	-	0	0.29724 Hartree
97	-	0	0.29911 Hartree
98	-	0	0.30681 Hartree
99	-	0	0.31422 Hartree
100	-	0	0.32675 Hartree
101	-	0	0.33305 Hartree
102	-	0	0.34256 Hartree
103	-	0	0.34589 Hartree
104	-	0	0.37498 Hartree
105	-	0	0.38139 Hartree
106	-	0	0.38400 Hartree
107	-	0	0.38906 Hartree
108	-	0	0.41776 Hartree
109	-	0	0.41850 Hartree
110	-	0	0.44450 Hartree
111	-	0	0.45160 Hartree
112	-	0	0.45464 Hartree
113	-	0	0.47879 Hartree
114	-	0	0.48875 Hartree
115	-	0	0.50268 Hartree
116	-	0	0.51021 Hartree
117	-	0	0.51151 Hartree
118	-	0	0.52865 Hartree
119	-	0	0.52969 Hartree
120	-	0	0.52999 Hartree
121	-	0	0.54109 Hartree
122	-	0	0.54123 Hartree
123	-	0	0.54437 Hartree
124	-	0	0.55781 Hartree
125	-	0	0.56715 Hartree
126	-	0	0.57024 Hartree
127	-	0	0.58410 Hartree
128	-	0	0.59392 Hartree
129	-	0	0.59926 Hartree
130	-	0	0.60017 Hartree
131	-	0	0.60698 Hartree
132	-	0	0.61166 Hartree
133	-	0	0.63489 Hartree
134	-	0	0.63749 Hartree
135	-	0	0.64044 Hartree
136	-	0	0.64487 Hartree
137	-	0	0.65375 Hartree
138	-	0	0.65442 Hartree
139	-	0	0.66876 Hartree
140	-	0	0.68118 Hartree
141	-	0	0.68948 Hartree
142	-	0	0.69125 Hartree
143	-	0	0.69961 Hartree
144	-	0	0.70477 Hartree
145	-	0	0.71619 Hartree
146	-	0	0.72330 Hartree
147	-	0	0.73119 Hartree
148	-	0	0.73769 Hartree
149	-	0	0.75414 Hartree
150	-	0	0.76227 Hartree
151	-	0	0.76796 Hartree
152	-	0	0.78114 Hartree
153	-	0	0.80078 Hartree
154	-	0	0.81648 Hartree
155	-	0	0.81750 Hartree
156	-	0	0.82322 Hartree
157	-	0	0.84127 Hartree
158	-	0	0.84580 Hartree
159	-	0	0.84715 Hartree
160	-	0	0.84911 Hartree
161	-	0	0.86396 Hartree
162	-	0	0.87657 Hartree
163	-	0	0.89808 Hartree
164	-	0	0.92510 Hartree
165	-	0	0.93506 Hartree
166	-	0	0.94511 Hartree
167	-	0	0.98471 Hartree
168	-	0	0.98637 Hartree
169	-	0	0.99655 Hartree
170	-	0	1.01537 Hartree
171	-	0	1.04204 Hartree
172	-	0	1.05097 Hartree
173	-	0	1.05145 Hartree
174	-	0	1.06202 Hartree
175	-	0	1.07524 Hartree
176	-	0	1.10860 Hartree
177	-	0	1.12028 Hartree
178	-	0	1.12934 Hartree
179	-	0	1.12967 Hartree
180	-	0	1.15412 Hartree
181	-	0	1.16892 Hartree
182	-	0	1.17323 Hartree
183	-	0	1.18481 Hartree
184	-	0	1.19239 Hartree
185	-	0	1.20209 Hartree
186	-	0	1.22431 Hartree
187	-	0	1.23245 Hartree
188	-	0	1.24190 Hartree
189	-	0	1.26225 Hartree
190	-	0	1.26440 Hartree
191	-	0	1.27377 Hartree
192	-	0	1.30154 Hartree
193	-	0	1.30962 Hartree
194	-	0	1.32460 Hartree
195	-	0	1.33124 Hartree
196	-	0	1.33270 Hartree
197	-	0	1.34351 Hartree
198	-	0	1.37136 Hartree
199	-	0	1.37316 Hartree
200	-	0	1.38632 Hartree
201	-	0	1.39432 Hartree
202	-	0	1.44381 Hartree
203	-	0	1.44708 Hartree
204	-	0	1.45801 Hartree
205	-	0	1.48045 Hartree
206	-	0	1.51167 Hartree
207	-	0	1.53804 Hartree
208	-	0	1.56921 Hartree
209	-	0	1.60243 Hartree
210	-	0	1.64504 Hartree
211	-	0	1.66059 Hartree
212	-	0	1.67097 Hartree
213	-	0	1.70394 Hartree
214	-	0	1.71013 Hartree
215	-	0	1.71719 Hartree
216	-	0	1.73770 Hartree
217	-	0	1.74220 Hartree
218	-	0	1.74226 Hartree
219	-	0	1.77201 Hartree
220	-	0	1.77971 Hartree
221	-	0	1.80094 Hartree
222	-	0	1.82133 Hartree
223	-	0	1.85877 Hartree
224	-	0	1.86216 Hartree
225	-	0	1.87527 Hartree
226	-	0	1.92659 Hartree
227	-	0	1.96834 Hartree
228	-	0	1.97742 Hartree
229	-	0	1.98158 Hartree
230	-	0	2.01939 Hartree
231	-	0	2.02936 Hartree
232	-	0	2.06351 Hartree
233	-	0	2.13440 Hartree
234	-	0	2.15212 Hartree
235	-	0	2.17246 Hartree
236	-	0	2.20630 Hartree
237	-	0	2.22741 Hartree
238	-	0	2.23021 Hartree
239	-	0	2.26019 Hartree
240	-	0	2.29298 Hartree
241	-	0	2.31279 Hartree
242	-	0	2.32979 Hartree
243	-	0	2.34537 Hartree
244	-	0	2.36613 Hartree
245	-	0	2.37916 Hartree
246	-	0	2.38510 Hartree
247	-	0	2.41268 Hartree
248	-	0	2.44379 Hartree
249	-	0	2.44596 Hartree
250	-	0	2.49895 Hartree
251	-	0	2.52200 Hartree
252	-	0	2.55249 Hartree
253	-	0	2.58328 Hartree
254	-	0	2.61666 Hartree
255	-	0	2.63082 Hartree
256	-	0	2.63583 Hartree
257	-	0	2.65277 Hartree
258	-	0	2.66766 Hartree
259	-	0	2.72106 Hartree
260	-	0	2.74674 Hartree
261	-	0	2.74812 Hartree
262	-	0	2.75909 Hartree
263	-	0	2.76712 Hartree
264	-	0	2.78547 Hartree
265	-	0	2.78960 Hartree
266	-	0	2.80786 Hartree
267	-	0	2.86845 Hartree
268	-	0	2.87797 Hartree
269	-	0	2.88431 Hartree
270	-	0	2.89412 Hartree
271	-	0	2.91523 Hartree
272	-	0	2.91698 Hartree
273	-	0	2.95711 Hartree
274	-	0	3.01086 Hartree
275	-	0	3.03661 Hartree
276	-	0	3.05917 Hartree
277	-	0	3.06523 Hartree
278	-	0	3.10353 Hartree
279	-	0	3.11197 Hartree
280	-	0	3.11602 Hartree
281	-	0	3.12546 Hartree
282	-	0	3.16013 Hartree
283	-	0	3.18547 Hartree
284	-	0	3.20670 Hartree
285	-	0	3.23714 Hartree
286	-	0	3.24509 Hartree
287	-	0	3.26038 Hartree
288	-	0	3.28005 Hartree
289	-	0	3.31013 Hartree
290	-	0	3.31954 Hartree
291	-	0	3.34000 Hartree
292	-	0	3.35361 Hartree
293	-	0	3.36415 Hartree
294	-	0	3.37294 Hartree
295	-	0	3.38377 Hartree
296	-	0	3.40085 Hartree
297	-	0	3.42463 Hartree
298	-	0	3.43099 Hartree
299	-	0	3.44684 Hartree
300	-	0	3.46623 Hartree
301	-	0	3.46834 Hartree
302	-	0	3.48174 Hartree
303	-	0	3.50051 Hartree
304	-	0	3.51091 Hartree
305	-	0	3.51700 Hartree
306	-	0	3.51965 Hartree
307	-	0	3.54983 Hartree
308	-	0	3.56191 Hartree
309	-	0	3.56880 Hartree
310	-	0	3.60095 Hartree
311	-	0	3.61963 Hartree
312	-	0	3.62363 Hartree
313	-	0	3.63711 Hartree
314	-	0	3.63937 Hartree
315	-	0	3.64695 Hartree
316	-	0	3.65422 Hartree
317	-	0	3.67756 Hartree
318	-	0	3.68895 Hartree
319	-	0	3.72185 Hartree
320	-	0	3.73153 Hartree
321	-	0	3.73633 Hartree
322	-	0	3.78361 Hartree
323	-	0	3.81733 Hartree
324	-	0	3.82970 Hartree
325	-	0	3.85064 Hartree
326	-	0	3.88784 Hartree
327	-	0	3.91458 Hartree
328	-	0	3.94914 Hartree
329	-	0	3.97960 Hartree
330	-	0	4.02559 Hartree
331	-	0	4.07461 Hartree
332	-	0	4.10925 Hartree
333	-	0	4.11655 Hartree
334	-	0	4.13824 Hartree
335	-	0	4.16805 Hartree
336	-	0	4.19270 Hartree
337	-	0	4.19615 Hartree
338	-	0	4.20895 Hartree
339	-	0	4.23282 Hartree
340	-	0	4.27632 Hartree
341	-	0	4.30443 Hartree
342	-	0	4.39767 Hartree
343	-	0	4.51301 Hartree
344	-	0	4.55397 Hartree
345	-	0	4.67175 Hartree
346	-	0	4.70561 Hartree
347	-	0	4.82747 Hartree
348	-	0	4.96163 Hartree
349	-	0	5.08504 Hartree
350	-	0	5.30961 Hartree
351	-	0	5.40974 Hartree
352	-	0	6.05857 Hartree
353	-	0	6.82160 Hartree
354	-	0	6.88263 Hartree
355	-	0	7.05796 Hartree
356	-	0	7.25347 Hartree
357	-	0	7.30285 Hartree
358	-	0	23.67885 Hartree
359	-	0	23.90317 Hartree
360	-	0	23.94827 Hartree
361	-	0	24.00812 Hartree
362	-	0	24.03103 Hartree
363	-	0	24.06521 Hartree
364	-	0	24.13571 Hartree
365	-	0	24.17764 Hartree
366	-	0	24.19258 Hartree
367	-	0	24.23946 Hartree
368	-	0	50.05982 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom	Symbol	Charge
1	C	-0.40214
2	C	-0.57552
3	H	0.20581
4	H	0.19829
5	H	0.19829
6	C	0.00239
7	C	-0.21466
8	C	-0.13813
9	C	-0.16374
10	C	-0.16570
11	C	-0.20537
12	H	0.20385
13	H	0.20690
14	C	0.56442
15	C	-0.66611
16	H	0.22723
17	H	0.21862
18	H	0.21862
19	O	-0.56911
20	H	0.22919
21	H	0.20936
22	H	0.20875
23	H	0.20875

Natural Atomic Orbitals

Display Range		- / 369
Orbital	Description	Occupancy	Energy	Actions
1	C1 Cor(1S)	1.999230182	-10.043159338 Hartree
2	C1 Val(2S)	1.017821142	-0.234853229 Hartree
3	C1 Ryd(3S)	0.001951404	0.990338875 Hartree
4	C1 Ryd(4S)	0.000208278	1.101545503 Hartree
5	C1 Ryd(5S)	0.000002730	22.909319578 Hartree
6	C1 Val(2p)	1.123423891	-0.102645842 Hartree
7	C1 Ryd(4p)	0.003281828	0.626352381 Hartree
8	C1 Ryd(3p)	0.000291878	0.400120945 Hartree
9	C1 Ryd(5p)	0.000141425	3.237522239 Hartree
10	C1 Val(2p)	1.048033752	-0.088237828 Hartree
11	C1 Ryd(4p)	0.001448300	0.596902700 Hartree
12	C1 Ryd(3p)	0.000447548	0.355651728 Hartree
13	C1 Ryd(5p)	0.000164272	3.338063734 Hartree
14	C1 Val(2p)	1.198543487	-0.100055446 Hartree
15	C1 Ryd(4p)	0.001723482	0.612006670 Hartree
16	C1 Ryd(3p)	0.000141131	0.245601280 Hartree
17	C1 Ryd(5p)	0.000056177	3.216238231 Hartree
18	C1 Ryd(3d)	0.000487242	1.866954479 Hartree
19	C1 Ryd(4d)	0.000222099	3.258962281 Hartree
20	C1 Ryd(3d)	0.001461480	1.800011057 Hartree
21	C1 Ryd(4d)	0.000094771	3.080735835 Hartree
22	C1 Ryd(3d)	0.000462567	1.676934503 Hartree
23	C1 Ryd(4d)	0.000057852	2.730400998 Hartree
24	C1 Ryd(3d)	0.000997216	1.855196177 Hartree
25	C1 Ryd(4d)	0.000221701	3.281718064 Hartree
26	C1 Ryd(3d)	0.001141609	1.827904099 Hartree
27	C1 Ryd(4d)	0.000082732	3.062684812 Hartree
28	C2 Cor(1S)	1.999376985	-10.029633539 Hartree
29	C2 Val(2S)	1.084163487	-0.256698387 Hartree
30	C2 Ryd(3S)	0.000677779	0.730923611 Hartree
31	C2 Ryd(4S)	0.000203420	0.929437111 Hartree
32	C2 Ryd(5S)	0.000000711	23.198443961 Hartree
33	C2 Val(2p)	1.107544170	-0.093155439 Hartree
34	C2 Ryd(4p)	0.001142852	0.509749498 Hartree
35	C2 Ryd(3p)	0.000233812	0.222371733 Hartree
36	C2 Ryd(5p)	0.000100691	3.239588418 Hartree
37	C2 Val(2p)	1.169413663	-0.098797170 Hartree
38	C2 Ryd(4p)	0.002230920	0.698124504 Hartree
39	C2 Ryd(3p)	0.000251796	0.219359901 Hartree
40	C2 Ryd(5p)	0.000052306	3.263320952 Hartree
41	C2 Val(2p)	1.204511430	-0.098482490 Hartree
42	C2 Ryd(4p)	0.000676555	0.521076750 Hartree
43	C2 Ryd(3p)	0.000073434	0.209225401 Hartree
44	C2 Ryd(5p)	0.000019053	3.196622294 Hartree
45	C2 Ryd(3d)	0.000889031	1.900607267 Hartree
46	C2 Ryd(4d)	0.000013726	2.965410265 Hartree
47	C2 Ryd(3d)	0.001403440	1.905794094 Hartree
48	C2 Ryd(4d)	0.000045323	2.930554832 Hartree
49	C2 Ryd(3d)	0.000289317	1.659191285 Hartree
50	C2 Ryd(4d)	0.000037764	2.658219019 Hartree
51	C2 Ryd(3d)	0.000781504	1.836938706 Hartree
52	C2 Ryd(4d)	0.000055816	2.856096554 Hartree
53	C2 Ryd(3d)	0.001282798	1.852548129 Hartree
54	C2 Ryd(4d)	0.000047141	2.900031580 Hartree
55	H3 Val(1S)	0.793139415	0.031577428 Hartree
56	H3 Ryd(2S)	0.000517744	0.644274302 Hartree
57	H3 Ryd(3S)	0.000098620	2.132158913 Hartree
58	H3 Ryd(2p)	0.000102013	2.105802805 Hartree
59	H3 Ryd(2p)	0.000229661	2.821155348 Hartree
60	H3 Ryd(2p)	0.000104544	1.938766112 Hartree
61	H4 Val(1S)	0.800213689	0.027773974 Hartree
62	H4 Ryd(2S)	0.000890508	0.657119330 Hartree
63	H4 Ryd(3S)	0.000113329	2.181009733 Hartree
64	H4 Ryd(2p)	0.000166679	2.306527398 Hartree
65	H4 Ryd(2p)	0.000121039	2.039767291 Hartree
66	H4 Ryd(2p)	0.000201432	2.531884847 Hartree
67	H5 Val(1S)	0.800213689	0.027773974 Hartree
68	H5 Ryd(2S)	0.000890508	0.657119330 Hartree
69	H5 Ryd(3S)	0.000113329	2.181009733 Hartree
70	H5 Ryd(2p)	0.000166679	2.306527398 Hartree
71	H5 Ryd(2p)	0.000121039	2.039767291 Hartree
72	H5 Ryd(2p)	0.000201432	2.531884847 Hartree
73	C6 Cor(1S)	1.999028194	-10.048829731 Hartree
74	C6 Val(2S)	0.890210923	-0.148805159 Hartree
75	C6 Ryd(3S)	0.000793041	0.960294782 Hartree
76	C6 Ryd(4S)	0.000216144	1.906917636 Hartree
77	C6 Ryd(5S)	0.000008700	20.956446901 Hartree
78	C6 Val(2p)	1.082093803	-0.060942982 Hartree
79	C6 Ryd(4p)	0.004069083	0.997495030 Hartree
80	C6 Ryd(3p)	0.000396211	0.741996102 Hartree
81	C6 Ryd(5p)	0.000151962	3.531940862 Hartree
82	C6 Val(2p)	1.055492932	-0.060402812 Hartree
83	C6 Ryd(4p)	0.006326928	1.223741105 Hartree
84	C6 Ryd(3p)	0.000384981	0.978488065 Hartree
85	C6 Ryd(5p)	0.000084164	3.297829006 Hartree
86	C6 Val(2p)	0.951327847	-0.109740991 Hartree
87	C6 Ryd(3p)	0.001062555	0.579229808 Hartree
88	C6 Ryd(4p)	0.000336283	0.620499230 Hartree
89	C6 Ryd(5p)	0.000040714	2.571318597 Hartree
90	C6 Ryd(3d)	0.000742064	2.031956125 Hartree
91	C6 Ryd(4d)	0.000844836	3.796572288 Hartree
92	C6 Ryd(3d)	0.000107605	1.170813713 Hartree
93	C6 Ryd(4d)	0.000297998	3.440362477 Hartree
94	C6 Ryd(3d)	0.000299978	1.129275355 Hartree
95	C6 Ryd(4d)	0.000262243	3.474189991 Hartree
96	C6 Ryd(3d)	0.000839787	2.051426022 Hartree
97	C6 Ryd(4d)	0.000786552	3.656227675 Hartree
98	C6 Ryd(3d)	0.001320399	1.645789373 Hartree
99	C6 Ryd(4d)	0.000083679	3.554222541 Hartree
100	C7 Cor(1S)	1.999038629	-10.029948631 Hartree
101	C7 Val(2S)	0.937589785	-0.160099979 Hartree
102	C7 Ryd(4S)	0.001087837	1.384085183 Hartree
103	C7 Ryd(3S)	0.000131885	1.175924204 Hartree
104	C7 Ryd(5S)	0.000012159	20.821449418 Hartree
105	C7 Val(2p)	1.143018680	-0.058296269 Hartree
106	C7 Ryd(4p)	0.005228721	1.025755255 Hartree
107	C7 Ryd(3p)	0.000298363	0.565530763 Hartree
108	C7 Ryd(5p)	0.000095552	3.422851867 Hartree
109	C7 Val(2p)	1.105666636	-0.058765971 Hartree
110	C7 Ryd(4p)	0.003916028	1.160578803 Hartree
111	C7 Ryd(3p)	0.000385586	0.670208609 Hartree
112	C7 Ryd(5p)	0.000157818	3.463156496 Hartree
113	C7 Val(2p)	1.011598127	-0.115975438 Hartree
114	C7 Ryd(4p)	0.001032819	0.525120454 Hartree
115	C7 Ryd(3p)	0.000510320	0.351415073 Hartree
116	C7 Ryd(5p)	0.000020738	2.811422553 Hartree
117	C7 Ryd(3d)	0.000773088	2.225928208 Hartree
118	C7 Ryd(4d)	0.000823533	3.619338726 Hartree
119	C7 Ryd(3d)	0.000367671	1.445438406 Hartree
120	C7 Ryd(4d)	0.000041366	2.955959704 Hartree
121	C7 Ryd(3d)	0.000261220	1.467221634 Hartree
122	C7 Ryd(4d)	0.000095356	2.981778574 Hartree
123	C7 Ryd(3d)	0.000841825	2.240941912 Hartree
124	C7 Ryd(4d)	0.000286507	3.597605859 Hartree
125	C7 Ryd(3d)	0.001294688	1.901089333 Hartree
126	C7 Ryd(4d)	0.000083474	3.282620059 Hartree
127	C8 Cor(1S)	1.999066651	-10.031525318 Hartree
128	C8 Val(2S)	0.941650336	-0.160129131 Hartree
129	C8 Ryd(3S)	0.001625232	1.178920814 Hartree
130	C8 Ryd(4S)	0.000104136	1.554519809 Hartree
131	C8 Ryd(5S)	0.000014037	20.702851029 Hartree
132	C8 Val(2p)	1.162745710	-0.057917812 Hartree
133	C8 Ryd(4p)	0.006884806	1.033833493 Hartree
134	C8 Ryd(3p)	0.000280558	0.431826411 Hartree
135	C8 Ryd(5p)	0.000092410	3.512403530 Hartree
136	C8 Val(2p)	1.080588764	-0.047629036 Hartree
137	C8 Ryd(4p)	0.004921099	1.089974628 Hartree
138	C8 Ryd(3p)	0.000384444	0.643364611 Hartree
139	C8 Ryd(5p)	0.000192071	3.508386452 Hartree
140	C8 Val(2p)	0.933391495	-0.109558965 Hartree
141	C8 Ryd(4p)	0.000712068	0.530288297 Hartree
142	C8 Ryd(3p)	0.000472836	0.324520064 Hartree
143	C8 Ryd(5p)	0.000017153	2.802311193 Hartree
144	C8 Ryd(3d)	0.000822135	2.176242701 Hartree
145	C8 Ryd(4d)	0.000655685	3.651900084 Hartree
146	C8 Ryd(3d)	0.000366262	1.359467907 Hartree
147	C8 Ryd(4d)	0.000056402	2.988832920 Hartree
148	C8 Ryd(3d)	0.000238069	1.416921013 Hartree
149	C8 Ryd(4d)	0.000163390	3.049920789 Hartree
150	C8 Ryd(3d)	0.000764254	2.292994173 Hartree
151	C8 Ryd(4d)	0.000520583	3.664556444 Hartree
152	C8 Ryd(3d)	0.001326808	1.871643354 Hartree
153	C8 Ryd(4d)	0.000070004	3.340256878 Hartree
154	C9 Cor(1S)	1.998910858	-10.039626519 Hartree
155	C9 Val(2S)	0.906599963	-0.146450432 Hartree
156	C9 Ryd(3S)	0.001214261	1.068564451 Hartree
157	C9 Ryd(4S)	0.000100559	2.384972808 Hartree
158	C9 Ryd(5S)	0.000007077	20.349474408 Hartree
159	C9 Val(2p)	1.098980127	-0.067654543 Hartree
160	C9 Ryd(4p)	0.005526303	1.289619229 Hartree
161	C9 Ryd(3p)	0.000304464	0.616097676 Hartree
162	C9 Ryd(5p)	0.000166721	3.557503277 Hartree
163	C9 Val(2p)	1.089310174	-0.074371390 Hartree
164	C9 Ryd(4p)	0.006360104	1.319409439 Hartree
165	C9 Ryd(3p)	0.000143110	0.796651732 Hartree
166	C9 Ryd(5p)	0.000120323	3.435297981 Hartree
167	C9 Val(2p)	1.049469929	-0.114801506 Hartree
168	C9 Ryd(4p)	0.000835650	0.594964534 Hartree
169	C9 Ryd(3p)	0.000226792	0.499020737 Hartree
170	C9 Ryd(5p)	0.000033040	2.679080959 Hartree
171	C9 Ryd(3d)	0.000813370	1.932318678 Hartree
172	C9 Ryd(4d)	0.000665913	3.783632624 Hartree
173	C9 Ryd(3d)	0.000279925	1.211776408 Hartree
174	C9 Ryd(4d)	0.000225991	3.280819080 Hartree
175	C9 Ryd(3d)	0.000247156	1.157230079 Hartree
176	C9 Ryd(4d)	0.000146737	3.271754468 Hartree
177	C9 Ryd(3d)	0.001022003	2.169707220 Hartree
178	C9 Ryd(4d)	0.000778150	3.693871352 Hartree
179	C9 Ryd(3d)	0.001206166	1.612327159 Hartree
180	C9 Ryd(4d)	0.000048654	3.451358389 Hartree
181	C10 Cor(1S)	1.999077982	-10.038865821 Hartree
182	C10 Val(2S)	0.937731947	-0.167059226 Hartree
183	C10 Ryd(3S)	0.001164369	1.247678946 Hartree
184	C10 Ryd(4S)	0.000109081	1.306697668 Hartree
185	C10 Ryd(5S)	0.000011939	20.912981973 Hartree
186	C10 Val(2p)	1.134032929	-0.059246140 Hartree
187	C10 Ryd(4p)	0.005696399	1.006443604 Hartree
188	C10 Ryd(3p)	0.000303219	0.556878005 Hartree
189	C10 Ryd(5p)	0.000116710	3.437227521 Hartree
190	C10 Val(2p)	1.103035827	-0.061672249 Hartree
191	C10 Ryd(4p)	0.003551914	1.145410923 Hartree
192	C10 Ryd(3p)	0.000403346	0.623302892 Hartree
193	C10 Ryd(5p)	0.000171892	3.444424958 Hartree
194	C10 Val(2p)	0.973883760	-0.119874626 Hartree
195	C10 Ryd(4p)	0.000966632	0.519386314 Hartree
196	C10 Ryd(3p)	0.000509032	0.339185112 Hartree
197	C10 Ryd(5p)	0.000023036	2.791478984 Hartree
198	C10 Ryd(3d)	0.000802782	2.205263204 Hartree
199	C10 Ryd(4d)	0.000820942	3.667734873 Hartree
200	C10 Ryd(3d)	0.000310377	1.380971272 Hartree
201	C10 Ryd(4d)	0.000064572	2.996913758 Hartree
202	C10 Ryd(3d)	0.000331035	1.406971277 Hartree
203	C10 Ryd(4d)	0.000126012	3.022346170 Hartree
204	C10 Ryd(3d)	0.000651167	2.219102836 Hartree
205	C10 Ryd(4d)	0.000388407	3.622430618 Hartree
206	C10 Ryd(3d)	0.001329957	1.850715774 Hartree
207	C10 Ryd(4d)	0.000088422	3.320078762 Hartree
208	C11 Cor(1S)	1.999043761	-10.031985123 Hartree
209	C11 Val(2S)	0.936216177	-0.162863000 Hartree
210	C11 Ryd(4S)	0.001251387	1.329323028 Hartree
211	C11 Ryd(3S)	0.000104849	0.747296077 Hartree
212	C11 Ryd(5S)	0.000011781	21.405044126 Hartree
213	C11 Val(2p)	1.153643683	-0.065275277 Hartree
214	C11 Ryd(4p)	0.006220357	1.053383038 Hartree
215	C11 Ryd(3p)	0.000261180	0.405398838 Hartree
216	C11 Ryd(5p)	0.000094373	3.481068364 Hartree
217	C11 Val(2p)	1.085993915	-0.059035118 Hartree
218	C11 Ryd(4p)	0.004525795	1.006606405 Hartree
219	C11 Ryd(3p)	0.000415628	0.622333068 Hartree
220	C11 Ryd(5p)	0.000160722	3.504335603 Hartree
221	C11 Val(2p)	1.010974265	-0.118072601 Hartree
222	C11 Ryd(4p)	0.000987934	0.519072703 Hartree
223	C11 Ryd(3p)	0.000439149	0.327221041 Hartree
224	C11 Ryd(5p)	0.000029953	2.805781949 Hartree
225	C11 Ryd(3d)	0.000799103	2.042394380 Hartree
226	C11 Ryd(4d)	0.000722539	3.635577448 Hartree
227	C11 Ryd(3d)	0.000351911	1.289059545 Hartree
228	C11 Ryd(4d)	0.000042631	3.065068880 Hartree
229	C11 Ryd(3d)	0.000218819	1.344601938 Hartree
230	C11 Ryd(4d)	0.000190134	3.112279993 Hartree
231	C11 Ryd(3d)	0.000735853	2.198964828 Hartree
232	C11 Ryd(4d)	0.000497574	3.700461343 Hartree
233	C11 Ryd(3d)	0.001383441	1.783075204 Hartree
234	C11 Ryd(4d)	0.000052710	3.384336243 Hartree
235	H12 Val(1S)	0.794519757	0.036099227 Hartree
236	H12 Ryd(2S)	0.000817434	1.302333252 Hartree
237	H12 Ryd(3S)	0.000136036	1.787487179 Hartree
238	H12 Ryd(2p)	0.000362080	2.861104222 Hartree
239	H12 Ryd(2p)	0.000114768	2.649735198 Hartree
240	H12 Ryd(2p)	0.000199726	1.933319766 Hartree
241	H13 Val(1S)	0.791626657	0.037675650 Hartree
242	H13 Ryd(2S)	0.000619753	1.210265270 Hartree
243	H13 Ryd(3S)	0.000158132	1.792987513 Hartree
244	H13 Ryd(2p)	0.000337734	2.836703084 Hartree
245	H13 Ryd(2p)	0.000145552	2.696172901 Hartree
246	H13 Ryd(2p)	0.000209131	1.920010305 Hartree
247	C14 Cor(1S)	1.999279882	-10.135335027 Hartree
248	C14 Val(2S)	0.845656734	-0.154309571 Hartree
249	C14 Ryd(3S)	0.004034836	0.935301954 Hartree
250	C14 Ryd(4S)	0.000146905	2.377287689 Hartree
251	C14 Ryd(5S)	0.000033809	20.897655179 Hartree
252	C14 Val(2p)	0.846612233	-0.021628318 Hartree
253	C14 Ryd(4p)	0.015417624	1.231984194 Hartree
254	C14 Ryd(3p)	0.000460789	0.529251943 Hartree
255	C14 Ryd(5p)	0.000110801	2.747958355 Hartree
256	C14 Val(2p)	0.978709919	-0.039383465 Hartree
257	C14 Ryd(4p)	0.005680647	1.311080421 Hartree
258	C14 Ryd(3p)	0.000591731	0.499270631 Hartree
259	C14 Ryd(5p)	0.000187209	2.435218715 Hartree
260	C14 Val(2p)	0.731996084	-0.113267431 Hartree
261	C14 Ryd(4p)	0.000870868	0.720464792 Hartree
262	C14 Ryd(3p)	0.000426918	0.379831601 Hartree
263	C14 Ryd(5p)	0.000187155	2.530038043 Hartree
264	C14 Ryd(4d)	0.001321689	3.434222963 Hartree
265	C14 Ryd(3d)	0.000061224	3.423190576 Hartree
266	C14 Ryd(4d)	0.001035620	2.857450667 Hartree
267	C14 Ryd(3d)	0.000047900	2.511468257 Hartree
268	C14 Ryd(4d)	0.000583815	2.708587737 Hartree
269	C14 Ryd(3d)	0.000105384	2.399776198 Hartree
270	C14 Ryd(4d)	0.001657180	3.285654101 Hartree
271	C14 Ryd(3d)	0.000041283	3.171979944 Hartree
272	C14 Ryd(4d)	0.000207859	2.938763826 Hartree
273	C14 Ryd(3d)	0.000116094	2.732575619 Hartree
274	C15 Cor(1S)	1.999279561	-10.033928402 Hartree
275	C15 Val(2S)	1.114528242	-0.269652954 Hartree
276	C15 Ryd(3S)	0.000454573	0.786046747 Hartree
277	C15 Ryd(4S)	0.000256177	1.088364268 Hartree
278	C15 Ryd(5S)	0.000002128	23.256477565 Hartree
279	C15 Val(2p)	1.144414083	-0.108422652 Hartree
280	C15 Ryd(4p)	0.001740565	0.637019348 Hartree
281	C15 Ryd(3p)	0.000163848	0.360612979 Hartree
282	C15 Ryd(5p)	0.000039006	2.924775092 Hartree
283	C15 Val(2p)	1.191550706	-0.110664279 Hartree
284	C15 Ryd(4p)	0.001976423	0.790180082 Hartree
285	C15 Ryd(3p)	0.000289620	0.309767331 Hartree
286	C15 Ryd(5p)	0.000064984	3.010886809 Hartree
287	C15 Val(2p)	1.205100057	-0.110943422 Hartree
288	C15 Ryd(4p)	0.000133859	0.582794547 Hartree
289	C15 Ryd(3p)	0.000021773	0.269810021 Hartree
290	C15 Ryd(5p)	0.000028493	2.983449122 Hartree
291	C15 Ryd(3d)	0.001614602	1.775549378 Hartree
292	C15 Ryd(4d)	0.000077362	3.203538943 Hartree
293	C15 Ryd(3d)	0.001167683	1.602771729 Hartree
294	C15 Ryd(4d)	0.000066196	3.099511755 Hartree
295	C15 Ryd(3d)	0.000764525	1.320629999 Hartree
296	C15 Ryd(4d)	0.000088388	2.814657837 Hartree
297	C15 Ryd(3d)	0.000905096	1.607881746 Hartree
298	C15 Ryd(4d)	0.000154537	3.122391944 Hartree
299	C15 Ryd(3d)	0.001180100	1.663615734 Hartree
300	C15 Ryd(4d)	0.000043892	3.147194230 Hartree
301	H16 Val(1S)	0.770783206	0.041229418 Hartree
302	H16 Ryd(2S)	0.001413456	0.942561849 Hartree
303	H16 Ryd(3S)	0.000095870	1.836716116 Hartree
304	H16 Ryd(2p)	0.000127481	2.076663151 Hartree
305	H16 Ryd(2p)	0.000236666	2.799172033 Hartree
306	H16 Ryd(2p)	0.000113978	1.897567123 Hartree
307	H17 Val(1S)	0.779953040	0.017208093 Hartree
308	H17 Ryd(2S)	0.000873979	0.657544398 Hartree
309	H17 Ryd(3S)	0.000090540	2.165742856 Hartree
310	H17 Ryd(2p)	0.000151629	2.254848143 Hartree
311	H17 Ryd(2p)	0.000127374	1.986406325 Hartree
312	H17 Ryd(2p)	0.000183797	2.504426492 Hartree
313	H18 Val(1S)	0.779953040	0.017208093 Hartree
314	H18 Ryd(2S)	0.000873979	0.657544398 Hartree
315	H18 Ryd(3S)	0.000090540	2.165742856 Hartree
316	H18 Ryd(2p)	0.000151629	2.254848143 Hartree
317	H18 Ryd(2p)	0.000127374	1.986406325 Hartree
318	H18 Ryd(2p)	0.000183797	2.504426492 Hartree
319	O19 Cor(1S)	1.999757125	-18.841593674 Hartree
320	O19 Val(2S)	1.693501397	-0.884638138 Hartree
321	O19 Ryd(4S)	0.000629121	1.839294550 Hartree
322	O19 Ryd(3S)	0.000113855	1.253850230 Hartree
323	O19 Ryd(5S)	0.000000170	49.519679122 Hartree
324	O19 Val(2p)	1.637831759	-0.295185196 Hartree
325	O19 Ryd(3p)	0.001623556	0.639686988 Hartree
326	O19 Ryd(4p)	0.000110289	1.275239068 Hartree
327	O19 Ryd(5p)	0.000055602	5.457946366 Hartree
328	O19 Val(2p)	1.838359794	-0.266882355 Hartree
329	O19 Ryd(3p)	0.004242474	0.826285449 Hartree
330	O19 Ryd(4p)	0.000061490	1.113846457 Hartree
331	O19 Ryd(5p)	0.000016950	5.196863467 Hartree
332	O19 Val(2p)	1.372725778	-0.245476724 Hartree
333	O19 Ryd(3p)	0.000935352	0.558105121 Hartree
334	O19 Ryd(4p)	0.000037841	0.949439955 Hartree
335	O19 Ryd(5p)	0.000009640	4.988952046 Hartree
336	O19 Ryd(3d)	0.005721643	1.978179867 Hartree
337	O19 Ryd(4d)	0.000046122	7.017522449 Hartree
338	O19 Ryd(3d)	0.004522776	1.608561608 Hartree
339	O19 Ryd(4d)	0.000022179	6.860099604 Hartree
340	O19 Ryd(3d)	0.000940726	1.528964334 Hartree
341	O19 Ryd(4d)	0.000004424	6.764838438 Hartree
342	O19 Ryd(3d)	0.005755171	1.909590834 Hartree
343	O19 Ryd(4d)	0.000064740	7.007541118 Hartree
344	O19 Ryd(3d)	0.002008788	1.758000343 Hartree
345	O19 Ryd(4d)	0.000008712	6.887308566 Hartree
346	H20 Val(1S)	0.768921038	0.063183353 Hartree
347	H20 Ryd(2S)	0.001036867	1.319219927 Hartree
348	H20 Ryd(3S)	0.000169188	1.721972074 Hartree
349	H20 Ryd(2p)	0.000350870	2.866686025 Hartree
350	H20 Ryd(2p)	0.000155555	2.685710969 Hartree
351	H20 Ryd(2p)	0.000180100	1.937980130 Hartree
352	H21 Val(1S)	0.789062825	0.046912813 Hartree
353	H21 Ryd(2S)	0.000747283	1.288534769 Hartree
354	H21 Ryd(3S)	0.000145095	1.768145121 Hartree
355	H21 Ryd(2p)	0.000324254	2.843735486 Hartree
356	H21 Ryd(2p)	0.000154347	2.709555635 Hartree
357	H21 Ryd(2p)	0.000207150	1.943739138 Hartree
358	H22 Val(1S)	0.789369537	0.023511806 Hartree
359	H22 Ryd(2S)	0.001208338	0.747500565 Hartree
360	H22 Ryd(3S)	0.000121952	2.180776946 Hartree
361	H22 Ryd(2p)	0.000199884	2.394945158 Hartree
362	H22 Ryd(2p)	0.000146968	2.222215872 Hartree
363	H22 Ryd(2p)	0.000200551	2.547541151 Hartree
364	H23 Val(1S)	0.789369537	0.023511806 Hartree
365	H23 Ryd(2S)	0.001208338	0.747500565 Hartree
366	H23 Ryd(3S)	0.000121952	2.180776946 Hartree
367	H23 Ryd(2p)	0.000199884	2.394945158 Hartree
368	H23 Ryd(2p)	0.000146968	2.222215872 Hartree
369	H23 Ryd(2p)	0.000200551	2.547541151 Hartree

Natural Hybrid Orbitals

Display Range		- / 369
Orbital	Description	Occupancy	Energy	Actions
1	BD(1)C1(C2) 1s(28.72%)p2.48(71.23%)d0.00(0.06%)	1.018174994	-0.128066503 Hartree
2	BD(1)C2(C1) 2s(29.60%)p2.38(70.32%)d0.00(0.09%)	0.977821388	-0.111298489 Hartree
3	BD(1)C1(C6) 1s(29.07%)p2.44(70.83%)d0.00(0.10%)	0.989958300	-0.104457416 Hartree
4	BD(1)C6(C1) 6s(31.56%)p2.17(68.40%)d0.00(0.04%)	1.012786306	-0.113687250 Hartree
5	BD(1)C1(H22) 1s(21.16%)p3.72(78.75%)d0.00(0.09%)	1.193200320	-0.138968658 Hartree
6	BD(1)H22(C1) 22s(99.97%)p0.00(0.03%)	0.789608253	0.025484188 Hartree
7	BD(1)C1(H23) 1s(21.16%)p3.72(78.75%)d0.00(0.09%)	1.193200320	-0.138968658 Hartree
8	BD(1)H23(C1) 23s(99.97%)p0.00(0.03%)	0.789608253	0.025484188 Hartree
9	BD(1)C2(H3) 2s(23.30%)p3.29(76.61%)d0.00(0.09%)	1.199750121	-0.138134840 Hartree
10	BD(1)H3(C2) 3s(99.98%)p0.00(0.02%)	0.793328328	0.032799656 Hartree
11	BD(1)C2(H4) 2s(23.56%)p3.24(76.34%)d0.00(0.10%)	1.197214234	-0.142139482 Hartree
12	BD(1)H4(C2) 4s(99.98%)p0.00(0.02%)	0.800414169	0.029495823 Hartree
13	BD(1)C2(H5) 2s(23.56%)p3.24(76.34%)d0.00(0.10%)	1.197214234	-0.142139482 Hartree
14	BD(1)H5(C2) 5s(99.98%)p0.00(0.02%)	0.800414169	0.029495823 Hartree
15	BD(1)C6(C7) 6s(34.42%)p1.90(65.51%)d0.00(0.06%)	1.010184166	-0.073265454 Hartree
16	BD(1)C7(C6) 7s(35.71%)p1.80(64.18%)d0.00(0.11%)	0.988279996	-0.060559743 Hartree
17	BD(2)C6(C7) 6s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.951808826	-0.109181970 Hartree
18	BD(2)C7(C6) 7s(0.00%)p1.00(99.97%)d0.00(0.03%)	1.012455741	-0.116066521 Hartree
19	BD(1)C6(C11) 6s(33.93%)p1.94(65.99%)d0.00(0.08%)	1.007411174	-0.073345865 Hartree
20	BD(1)C11(C6) 11s(35.93%)p1.78(63.96%)d0.00(0.11%)	0.988564751	-0.064417755 Hartree
21	BD(1)C7(C8) 7s(35.84%)p1.79(64.05%)d0.00(0.11%)	0.999792781	-0.064498006 Hartree
22	BD(1)C8(C7) 8s(36.12%)p1.77(63.77%)d0.00(0.11%)	0.992345626	-0.060298541 Hartree
23	BD(1)C7(H21) 7s(28.32%)p2.53(71.64%)d0.00(0.04%)	1.204049608	-0.134091171 Hartree
24	BD(1)H21(C7) 21s(99.96%)p0.00(0.04%)	0.789425801	0.049583028 Hartree
25	BD(1)C8(C9) 8s(35.11%)p1.85(64.79%)d0.00(0.11%)	0.975183534	-0.053114010 Hartree
26	BD(1)C9(C8) 9s(34.41%)p1.90(65.51%)d0.00(0.08%)	1.019766084	-0.075959645 Hartree
27	BD(2)C8(C9) 8s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.933951526	-0.108666882 Hartree
28	BD(2)C9(C8) 9s(0.00%)p1.00(99.99%)d0.00(0.01%)	1.049720178	-0.114572659 Hartree
29	BD(1)C8(H20) 8s(28.65%)p2.49(71.30%)d0.00(0.04%)	1.223498351	-0.135258614 Hartree
30	BD(1)H20(C8) 20s(99.96%)p0.00(0.04%)	0.769277796	0.065960803 Hartree
31	BD(1)C9(C10) 9s(34.68%)p1.88(65.23%)d0.00(0.09%)	1.014638018	-0.077762590 Hartree
32	BD(1)C10(C9) 10s(35.53%)p1.81(64.37%)d0.00(0.10%)	0.982941042	-0.062468872 Hartree
33	BD(1)C9(C14) 9s(30.81%)p2.24(69.13%)d0.00(0.06%)	1.063893491	-0.123167146 Hartree
34	BD(1)C14(C9) 14s(35.23%)p1.84(64.72%)d0.00(0.05%)	0.981736198	-0.095229385 Hartree
35	BD(1)C10(C11) 10s(36.18%)p1.76(63.72%)d0.00(0.10%)	0.997181191	-0.066950036 Hartree
36	BD(1)C11(C10) 11s(36.02%)p1.77(63.87%)d0.00(0.11%)	0.994933606	-0.067033611 Hartree
37	BD(2)C10(C11) 10s(0.00%)p1.00(99.97%)d0.00(0.03%)	0.974635337	-0.120027169 Hartree
38	BD(2)C11(C10) 11s(0.00%)p1.00(99.98%)d0.00(0.02%)	1.011667697	-0.118293783 Hartree
39	BD(1)C10(H13) 10s(28.15%)p2.55(71.80%)d0.00(0.04%)	1.200316546	-0.140759317 Hartree
40	BD(1)H13(C10) 13s(99.96%)p0.00(0.04%)	0.791990659	0.040018724 Hartree
41	BD(1)C11(H12) 11s(27.92%)p2.58(72.04%)d0.00(0.04%)	1.198604085	-0.138684663 Hartree
42	BD(1)H12(C11) 12s(99.96%)p0.00(0.04%)	0.794882615	0.038672729 Hartree
43	BD(1)C14(C15) 14s(34.07%)p1.93(65.90%)d0.00(0.03%)	1.001374135	-0.129377399 Hartree
44	BD(1)C15(C14) 15s(28.28%)p2.53(71.58%)d0.00(0.14%)	1.042039549	-0.131458427 Hartree
45	BD(1)C14(O19) 14s(30.61%)p2.26(69.29%)d0.00(0.11%)	0.694416342	0.030151179 Hartree
46	BD(1)O19(C14) 19s(42.71%)p1.33(56.83%)d0.01(0.46%)	1.311803712	-0.495288194 Hartree
47	BD(2)C14(O19) 14s(0.00%)p1.00(99.86%)d0.00(0.14%)	0.733128895	-0.112104789 Hartree
48	BD(2)O19(C14) 19s(0.00%)p1.00(99.62%)d0.00(0.38%)	1.378276973	-0.247139013 Hartree
49	BD(1)C15(H16) 15s(24.57%)p3.07(75.36%)d0.00(0.07%)	1.222114704	-0.148649711 Hartree
50	BD(1)H16(C15) 16s(99.98%)p0.00(0.02%)	0.770975038	0.042957774 Hartree
51	BD(1)C15(H17) 15s(23.55%)p3.24(76.34%)d0.00(0.10%)	1.198838946	-0.153258920 Hartree
52	BD(1)H17(C15) 17s(99.98%)p0.00(0.02%)	0.780130179	0.018630679 Hartree
53	BD(1)C15(H18) 15s(23.55%)p3.24(76.34%)d0.00(0.10%)	1.198838946	-0.153258920 Hartree
54	BD(1)H18(C15) 18s(99.98%)p0.00(0.02%)	0.780130179	0.018630679 Hartree
55	CR(1)C1 s(100.00%)p0.00(0.00%)	1.999226682	-10.043085242 Hartree
56	CR(1)C2 s(100.00%)p0.00(0.00%)	1.999374883	-10.029483481 Hartree
57	CR(1)C6 s(100.00%)	1.999028907	-10.048857247 Hartree
58	CR(1)C7 s(100.00%)p0.00(0.00%)	1.999041279	-10.030246130 Hartree
59	CR(1)C8 s(100.00%)p0.00(0.00%)	1.999069063	-10.031741323 Hartree
60	CR(1)C9 s(100.00%)	1.998911625	-10.039800428 Hartree
61	CR(1)C10 s(100.00%)p0.00(0.00%)	1.999080475	-10.039120625 Hartree
62	CR(1)C11 s(100.00%)p0.00(0.00%)	1.999046740	-10.032250837 Hartree
63	CR(1)C14 s(100.00%)p0.00(0.00%)	1.999281212	-10.135182087 Hartree
64	CR(1)C15 s(100.00%)p0.00(0.00%)	1.999276593	-10.033946669 Hartree
65	CR(1)O19 s(100.00%)p0.00(0.00%)	1.999755399	-18.842916559 Hartree
66	LP(1)O19 s(57.22%)p0.75(42.68%)d0.00(0.10%)	1.978951038	-0.685805704 Hartree
67	LP(2)O19 s(0.03%)p99.99(99.69%)d7.94(0.28%)	1.893584262	-0.263877361 Hartree
68	RY*(1)C1 s(3.32%)p27.75(92.15%)d1.36(4.53%)	0.003640811	0.886779085 Hartree
69	RY*(2)C1 s(0.00%)p1.00(83.64%)d0.20(16.36%)	0.001914164	0.864358192 Hartree
70	RY*(3)C1 s(21.68%)p2.48(53.86%)d1.13(24.46%)	0.000939817	1.368990410 Hartree
71	RY*(4)C1 s(25.53%)p1.86(47.56%)d1.05(26.92%)	0.000549875	1.307103655 Hartree
72	RY*(5)C1 s(13.93%)p3.26(45.40%)d2.92(40.66%)	0.000404506	1.276583875 Hartree
73	RY*(6)C1 s(33.30%)p1.68(55.98%)d0.32(10.72%)	0.000277180	1.407981003 Hartree
74	RY*(7)C1 s(0.00%)p1.00(3.08%)d31.46(96.92%)	0.000286492	2.076620796 Hartree
75	RY*(8)C1 s(6.62%)p7.62(50.45%)d6.48(42.93%)	0.000158274	2.335831761 Hartree
76	RY*(9)C1 s(0.00%)p1.00(2.68%)d36.33(97.32%)	0.000058225	1.536212321 Hartree
77	RY*(10)C1 s(30.51%)p1.01(30.72%)d1.27(38.77%)	0.000061664	1.665825348 Hartree
78	RY*(11)C1 s(23.34%)p0.98(22.90%)d2.30(53.76%)	0.000046944	1.469891695 Hartree
79	RY*(12)C1 s(0.00%)p1.00(99.01%)d0.01(0.99%)	0.000000118	3.238554401 Hartree
80	RY*(13)C1 s(5.90%)p1.47(8.70%)d14.48(85.40%)	0.000004225	3.022616045 Hartree
81	RY*(14)C1 s(98.69%)p0.01(0.69%)d0.01(0.61%)	0.000001202	22.667232253 Hartree
82	RY*(15)C1 s(11.51%)p6.72(77.38%)d0.97(11.11%)	0.000001360	2.653546242 Hartree
83	RY*(16)C1 s(0.00%)p1.00(12.89%)d6.76(87.11%)	0.000003869	3.310353324 Hartree
84	RY*(17)C1 s(21.86%)p0.66(14.51%)d2.91(63.63%)	0.000008286	2.352945603 Hartree
85	RY*(18)C1 s(0.00%)p1.00(5.28%)d17.92(94.72%)	0.000003564	1.990520409 Hartree
86	RY*(19)C1 s(0.52%)p92.33(47.85%)d99.61(51.63%)	0.000006123	1.382178779 Hartree
87	RY*(20)C1 s(0.00%)p1.00(93.54%)d0.07(6.46%)	0.000000642	0.343004417 Hartree
88	RY*(21)C1 s(0.85%)p55.55(46.96%)d61.74(52.20%)	0.000009318	1.426016919 Hartree
89	RY*(22)C1 s(2.34%)p2.23(5.21%)d39.59(92.45%)	0.000002900	3.472614428 Hartree
90	RY*(1)C2 s(4.02%)p22.69(91.11%)d1.21(4.87%)	0.002183457	0.834013433 Hartree
91	RY*(2)C2 s(0.00%)p1.00(82.86%)d0.21(17.14%)	0.000832835	0.964391289 Hartree
92	RY*(3)C2 s(38.01%)p1.44(54.87%)d0.19(7.11%)	0.000412886	1.683463583 Hartree
93	RY*(4)C2 s(23.49%)p2.25(52.84%)d1.01(23.67%)	0.000272535	0.989777091 Hartree
94	RY*(5)C2 s(20.34%)p2.37(48.25%)d1.54(31.40%)	0.000190947	0.836276518 Hartree
95	RY*(6)C2 s(0.30%)p99.99(49.08%)d99.99(50.63%)	0.000104330	1.367280474 Hartree
96	RY*(7)C2 s(0.00%)p1.00(9.32%)d9.73(90.68%)	0.000071348	1.451623043 Hartree
97	RY*(8)C2 s(0.00%)p1.00(61.94%)d0.61(38.06%)	0.000020419	0.518981802 Hartree
98	RY*(9)C2 s(30.30%)p2.14(64.86%)d0.16(4.84%)	0.000012436	2.333619115 Hartree
99	RY*(10)C2 s(11.67%)p4.33(50.55%)d3.24(37.78%)	0.000007798	0.839427814 Hartree
100	RY*(11)C2 s(38.87%)p1.55(60.26%)d0.02(0.87%)	0.000003941	1.987935915 Hartree
101	RY*(12)C2 s(0.00%)p1.00(99.99%)d0.00(0.01%)	0.000000039	3.199183880 Hartree
102	RY*(13)C2 s(0.91%)p32.23(29.23%)d77.04(69.86%)	0.000001193	1.349769866 Hartree
103	RY*(14)C2 s(0.98%)p3.58(3.53%)d97.01(95.49%)	0.000002916	3.133024680 Hartree
104	RY*(15)C2 s(0.00%)p1.00(41.19%)d1.43(58.81%)	0.000000957	1.196649584 Hartree
105	RY*(16)C2 s(0.00%)p1.00(3.75%)d25.67(96.25%)	0.000000112	2.456539541 Hartree
106	RY*(17)C2 s(17.27%)p3.78(65.25%)d1.01(17.48%)	0.000005374	1.600742569 Hartree
107	RY*(18)C2 s(0.00%)p1.00(1.09%)d90.53(98.91%)	0.000000007	3.290194382 Hartree
108	RY*(19)C2 s(11.95%)p0.70(8.36%)d6.67(79.70%)	0.000008526	1.658892341 Hartree
109	RY*(20)C2 s(1.40%)p10.71(14.99%)d59.74(83.61%)	0.000009993	2.347272056 Hartree
110	RY*(21)C2 s(99.60%)p0.00(0.36%)d0.00(0.03%)	0.000000229	23.057411450 Hartree
111	RY*(22)C2 s(0.88%)p7.63(6.71%)d99.99(92.41%)	0.000001788	3.293594189 Hartree
112	RY*(1)H3 s(91.92%)p0.09(8.08%)	0.000560708	0.843839321 Hartree
113	RY*(2)H3 s(57.52%)p0.74(42.48%)	0.000130825	2.056079481 Hartree
114	RY*(3)H3 s(0.00%)p1.00(100.00%)	0.000104544	1.938766112 Hartree
115	RY*(4)H3 s(44.04%)p1.27(55.96%)	0.000056945	2.134497314 Hartree
116	RY*(5)H3 s(6.55%)p14.26(93.45%)	0.000010647	2.667753026 Hartree
117	RY*(1)H4 s(97.84%)p0.02(2.16%)	0.000910275	0.719043096 Hartree
118	RY*(2)H4 s(50.23%)p0.99(49.77%)	0.000164882	2.043295979 Hartree
119	RY*(3)H4 s(2.15%)p45.59(97.85%)	0.000116720	2.041812916 Hartree
120	RY*(4)H4 s(48.52%)p1.06(51.48%)	0.000060125	2.145319403 Hartree
121	RY*(5)H4 s(1.29%)p76.79(98.71%)	0.000040505	2.765115356 Hartree
122	RY*(1)H5 s(97.84%)p0.02(2.16%)	0.000910275	0.719043096 Hartree
123	RY*(2)H5 s(50.23%)p0.99(49.77%)	0.000164882	2.043295979 Hartree
124	RY*(3)H5 s(2.15%)p45.59(97.85%)	0.000116720	2.041812916 Hartree
125	RY*(4)H5 s(48.52%)p1.06(51.48%)	0.000060125	2.145319403 Hartree
126	RY*(5)H5 s(1.29%)p76.79(98.71%)	0.000040505	2.765115356 Hartree
127	RY*(1)C6 s(2.57%)p35.39(90.86%)d2.56(6.57%)	0.006645039	1.302778064 Hartree
128	RY*(2)C6 s(1.05%)p83.75(88.16%)d10.25(10.79%)	0.004099450	1.127360453 Hartree
129	RY*(3)C6 s(17.05%)p1.81(30.85%)d3.06(52.10%)	0.001627865	2.183418347 Hartree
130	RY*(4)C6 s(0.00%)p1.00(83.70%)d0.19(16.30%)	0.001275618	1.007126832 Hartree
131	RY*(5)C6 s(15.42%)p0.64(9.93%)d4.84(74.65%)	0.000869108	2.098548208 Hartree
132	RY*(6)C6 s(32.74%)p0.45(14.87%)d1.60(52.39%)	0.000462818	1.323274382 Hartree
133	RY*(7)C6 s(0.00%)p1.00(1.16%)d85.22(98.84%)	0.000441418	3.077995830 Hartree
134	RY*(8)C6 s(33.28%)p1.07(35.50%)d0.94(31.23%)	0.000330407	1.681140337 Hartree
135	RY*(9)C6 s(0.00%)p1.00(20.97%)d3.77(79.03%)	0.000179865	1.631672187 Hartree
136	RY*(10)C6 s(32.26%)p1.02(32.98%)d1.08(34.76%)	0.000145834	2.279030011 Hartree
137	RY*(11)C6 s(13.04%)p5.33(69.45%)d1.34(17.52%)	0.000071379	3.722446041 Hartree
138	RY*(12)C6 s(9.06%)p2.60(23.56%)d7.44(67.38%)	0.000064479	2.730340705 Hartree
139	RY*(13)C6 s(6.34%)p8.03(50.88%)d6.75(42.78%)	0.000067182	2.594460749 Hartree
140	RY*(14)C6 s(0.00%)p1.00(10.40%)d8.62(89.60%)	0.000028449	1.597359662 Hartree
141	RY*(15)C6 s(7.15%)p4.01(28.67%)d8.98(64.18%)	0.000036283	3.301606828 Hartree
142	RY*(16)C6 s(22.39%)p2.60(58.13%)d0.87(19.48%)	0.000030728	2.408400376 Hartree
143	RY*(17)C6 s(12.67%)p4.91(62.25%)d1.98(25.07%)	0.000010015	3.277405767 Hartree
144	RY*(18)C6 s(0.00%)p1.00(11.27%)d7.87(88.73%)	0.000000156	2.314357138 Hartree
145	RY*(19)C6 s(90.13%)p0.04(3.40%)d0.07(6.47%)	0.000001365	17.855161946 Hartree
146	RY*(20)C6 s(0.00%)p1.00(75.76%)d0.32(24.24%)	0.000000835	0.706841782 Hartree
147	RY*(21)C6 s(0.00%)p1.00(96.78%)d0.03(3.22%)	0.000000056	2.649776719 Hartree
148	RY*(22)C6 s(4.95%)p0.12(0.60%)d19.10(94.46%)	0.000001881	3.436146432 Hartree
149	RY*(1)C7 s(0.27%)p99.99(89.80%)d37.38(9.94%)	0.005437989	1.314078892 Hartree
150	RY*(2)C7 s(0.36%)p99.99(97.80%)d5.10(1.84%)	0.002122924	1.422838008 Hartree
151	RY*(3)C7 s(0.00%)p1.00(84.43%)d0.18(15.57%)	0.000994719	0.500847486 Hartree
152	RY*(4)C7 s(44.66%)p0.20(8.74%)d1.04(46.60%)	0.000807049	1.933815407 Hartree
153	RY*(5)C7 s(18.15%)p2.90(52.61%)d1.61(29.24%)	0.000418828	2.034793049 Hartree
154	RY*(6)C7 s(0.00%)p1.00(3.37%)d28.67(96.63%)	0.000351942	2.480595571 Hartree
155	RY*(7)C7 s(17.44%)p1.90(33.20%)d2.83(49.37%)	0.000226936	1.310093284 Hartree
156	RY*(8)C7 s(32.88%)p0.53(17.51%)d1.51(49.61%)	0.000199045	1.353353527 Hartree
157	RY*(9)C7 s(27.93%)p0.42(11.80%)d2.16(60.27%)	0.000149263	2.049982833 Hartree
158	RY*(10)C7 s(0.00%)p1.00(19.10%)d4.24(80.90%)	0.000074572	0.966662869 Hartree
159	RY*(11)C7 s(10.90%)p3.55(38.70%)d4.63(50.41%)	0.000076484	1.947747513 Hartree
160	RY*(12)C7 s(16.92%)p1.84(31.10%)d3.07(51.98%)	0.000046554	3.167621599 Hartree
161	RY*(13)C7 s(10.28%)p4.93(50.71%)d3.80(39.01%)	0.000036640	3.082764254 Hartree
162	RY*(14)C7 s(0.00%)p1.00(71.08%)d0.41(28.92%)	0.000041016	0.702000736 Hartree
163	RY*(15)C7 s(13.46%)p4.78(64.30%)d1.65(22.24%)	0.000023921	2.777616625 Hartree
164	RY*(16)C7 s(0.00%)p1.00(3.51%)d27.52(96.49%)	0.000002260	2.978406234 Hartree
165	RY*(17)C7 s(0.00%)p1.00(98.10%)d0.02(1.90%)	0.000001429	2.850881532 Hartree
166	RY*(18)C7 s(0.00%)p1.00(20.44%)d3.89(79.56%)	0.000005937	2.059053053 Hartree
167	RY*(19)C7 s(8.54%)p4.97(42.42%)d5.74(49.04%)	0.000004840	3.100169954 Hartree
168	RY*(20)C7 s(91.01%)p0.06(5.02%)d0.04(3.97%)	0.000003791	19.538355687 Hartree
169	RY*(21)C7 s(7.21%)p7.06(50.91%)d5.81(41.88%)	0.000009320	1.991593523 Hartree
170	RY*(22)C7 s(0.14%)p38.79(5.51%)d99.99(94.35%)	0.000003544	3.514524741 Hartree
171	RY*(1)C8 s(0.09%)p99.99(92.39%)d83.51(7.52%)	0.007080624	1.292097969 Hartree
172	RY*(2)C8 s(0.22%)p99.99(95.68%)d18.64(4.10%)	0.003171779	1.073691427 Hartree
173	RY*(3)C8 s(70.87%)p0.04(2.88%)d0.37(26.24%)	0.000991310	1.583525753 Hartree
174	RY*(4)C8 s(0.00%)p1.00(72.20%)d0.39(27.80%)	0.000933162	0.729221041 Hartree
175	RY*(5)C8 s(5.64%)p7.90(44.57%)d8.83(49.79%)	0.000503389	2.525305844 Hartree
176	RY*(6)C8 s(0.00%)p1.00(5.86%)d16.07(94.14%)	0.000374226	2.691059179 Hartree
177	RY*(7)C8 s(10.78%)p1.12(12.07%)d7.15(77.15%)	0.000286905	1.981986447 Hartree
178	RY*(8)C8 s(6.89%)p10.24(70.58%)d3.27(22.52%)	0.000206533	1.468871023 Hartree
179	RY*(9)C8 s(33.47%)p0.79(26.53%)d1.20(40.00%)	0.000157002	1.988764383 Hartree
180	RY*(10)C8 s(0.00%)p1.00(70.83%)d0.41(29.17%)	0.000140882	0.790444162 Hartree
181	RY*(11)C8 s(14.86%)p3.17(47.08%)d2.56(38.06%)	0.000076311	2.789550105 Hartree
182	RY*(12)C8 s(28.69%)p1.29(37.00%)d1.20(34.31%)	0.000059236	2.485359318 Hartree
183	RY*(13)C8 s(7.83%)p0.52(4.05%)d11.26(88.13%)	0.000042089	2.390242205 Hartree
184	RY*(14)C8 s(4.74%)p11.47(54.33%)d8.64(40.93%)	0.000015217	2.930469947 Hartree
185	RY*(15)C8 s(0.00%)p1.00(32.22%)d2.10(67.78%)	0.000005985	1.005873308 Hartree
186	RY*(16)C8 s(0.00%)p1.00(3.16%)d30.67(96.84%)	0.000001334	2.873083117 Hartree
187	RY*(17)C8 s(0.00%)p1.00(99.37%)d0.01(0.63%)	0.000002857	2.834647468 Hartree
188	RY*(18)C8 s(0.00%)p1.00(16.41%)d5.09(83.59%)	0.000007702	1.547041825 Hartree
189	RY*(19)C8 s(92.53%)p0.03(3.09%)d0.05(4.39%)	0.000005037	19.909394667 Hartree
190	RY*(20)C8 s(21.69%)p1.16(25.26%)d2.45(53.04%)	0.000008348	2.645997519 Hartree
191	RY*(21)C8 s(1.38%)p58.16(80.04%)d13.50(18.58%)	0.000008021	2.098169451 Hartree
192	RY*(22)C8 s(0.45%)p10.28(4.58%)d99.99(94.97%)	0.000001349	3.473459545 Hartree
193	RY*(1)C9 s(2.00%)p45.55(90.97%)d3.52(7.03%)	0.006676571	1.403333782 Hartree
194	RY*(2)C9 s(1.68%)p55.77(93.46%)d2.90(4.87%)	0.005142853	1.301747409 Hartree
195	RY*(3)C9 s(61.53%)p0.17(10.23%)d0.46(28.24%)	0.001180389	1.413245218 Hartree
196	RY*(4)C9 s(0.00%)p1.00(81.25%)d0.23(18.75%)	0.001005073	0.698261940 Hartree
197	RY*(5)C9 s(12.98%)p0.35(4.48%)d6.36(82.54%)	0.000719207	2.169249910 Hartree
198	RY*(6)C9 s(5.29%)p6.40(33.86%)d11.50(60.85%)	0.000591994	2.653015660 Hartree
199	RY*(7)C9 s(0.00%)p1.00(1.92%)d51.02(98.08%)	0.000440440	2.730187643 Hartree
200	RY*(8)C9 s(7.24%)p7.36(53.28%)d5.45(39.48%)	0.000280311	1.798546172 Hartree
201	RY*(9)C9 s(0.00%)p1.00(6.24%)d15.03(93.76%)	0.000241407	1.889958909 Hartree
202	RY*(10)C9 s(14.43%)p0.85(12.29%)d5.08(73.28%)	0.000122759	2.867965325 Hartree
203	RY*(11)C9 s(32.39%)p0.27(8.86%)d1.81(58.75%)	0.000099362	1.792686829 Hartree
204	RY*(12)C9 s(2.46%)p36.86(90.79%)d2.74(6.74%)	0.000081868	2.895206126 Hartree
205	RY*(13)C9 s(0.00%)p1.00(20.09%)d3.98(79.91%)	0.000056542	1.540332699 Hartree
206	RY*(14)C9 s(38.68%)p0.18(6.93%)d1.41(54.39%)	0.000059704	3.139424971 Hartree
207	RY*(15)C9 s(11.24%)p5.60(63.03%)d2.29(25.73%)	0.000041696	2.601812954 Hartree
208	RY*(16)C9 s(7.25%)p8.35(60.52%)d4.45(32.23%)	0.000047885	2.866793797 Hartree
209	RY*(17)C9 s(3.67%)p18.11(66.47%)d8.13(29.86%)	0.000020338	2.785773171 Hartree
210	RY*(18)C9 s(0.00%)p1.00(6.74%)d13.83(93.26%)	0.000000476	2.509785595 Hartree
211	RY*(19)C9 s(0.00%)p1.00(98.26%)d0.02(1.74%)	0.000000013	2.673932050 Hartree
212	RY*(20)C9 s(94.01%)p0.05(4.53%)d0.02(1.46%)	0.000002190	18.296541792 Hartree
213	RY*(21)C9 s(0.00%)p1.00(85.52%)d0.17(14.48%)	0.000001090	0.651958583 Hartree
214	RY*(22)C9 s(5.25%)p0.08(0.43%)d17.96(94.32%)	0.000001957	3.464050233 Hartree
215	RY*(1)C10 s(0.24%)p99.99(90.54%)d38.38(9.22%)	0.005852637	1.300993455 Hartree
216	RY*(2)C10 s(4.88%)p19.04(92.88%)d0.46(2.24%)	0.001928094	1.455825519 Hartree
217	RY*(3)C10 s(0.00%)p1.00(80.05%)d0.25(19.95%)	0.000946580	0.460728896 Hartree
218	RY*(4)C10 s(37.85%)p0.28(10.53%)d1.36(51.62%)	0.000877910	1.921830688 Hartree
219	RY*(5)C10 s(19.86%)p2.25(44.66%)d1.79(35.48%)	0.000494919	1.786828753 Hartree
220	RY*(6)C10 s(0.00%)p1.00(2.55%)d38.29(97.45%)	0.000481391	2.537651036 Hartree
221	RY*(7)C10 s(7.33%)p4.41(32.33%)d8.23(60.34%)	0.000262370	1.791782825 Hartree
222	RY*(8)C10 s(32.21%)p0.51(16.39%)d1.60(51.40%)	0.000156830	1.858547879 Hartree
223	RY*(9)C10 s(27.08%)p1.18(32.08%)d1.51(40.84%)	0.000147078	2.225328104 Hartree
224	RY*(10)C10 s(0.00%)p1.00(37.10%)d1.70(62.90%)	0.000103847	0.962040996 Hartree
225	RY*(11)C10 s(18.99%)p0.65(12.30%)d3.62(68.71%)	0.000064165	2.114472990 Hartree
226	RY*(12)C10 s(23.71%)p1.95(46.12%)d1.27(30.17%)	0.000065254	1.732793777 Hartree
227	RY*(13)C10 s(3.69%)p11.40(42.09%)d14.68(54.22%)	0.000061825	2.786775644 Hartree
228	RY*(14)C10 s(0.00%)p1.00(59.64%)d0.68(40.36%)	0.000034521	0.660036711 Hartree
229	RY*(15)C10 s(5.98%)p11.53(68.96%)d4.19(25.05%)	0.000032845	3.493950062 Hartree
230	RY*(16)C10 s(0.00%)p1.00(4.25%)d22.52(95.75%)	0.000004104	2.860931853 Hartree
231	RY*(17)C10 s(0.00%)p1.00(96.04%)d0.04(3.96%)	0.000002730	2.808783218 Hartree
232	RY*(18)C10 s(0.00%)p1.00(20.40%)d3.90(79.60%)	0.000005946	2.167232720 Hartree
233	RY*(19)C10 s(22.59%)p2.00(45.13%)d1.43(32.28%)	0.000011898	2.888265283 Hartree
234	RY*(20)C10 s(93.42%)p0.01(1.35%)d0.06(5.23%)	0.000002870	19.861311626 Hartree
235	RY*(21)C10 s(1.80%)p35.22(63.40%)d19.33(34.80%)	0.000008210	1.835038890 Hartree
236	RY*(22)C10 s(0.52%)p2.58(1.33%)d99.99(98.15%)	0.000003072	3.495082477 Hartree
237	RY*(1)C11 s(0.34%)p99.99(90.30%)d27.32(9.36%)	0.006618786	1.278290769 Hartree
238	RY*(2)C11 s(0.25%)p99.99(97.48%)d9.07(2.27%)	0.002260857	1.128635642 Hartree
239	RY*(3)C11 s(0.00%)p1.00(77.00%)d0.30(23.00%)	0.001062100	0.469289100 Hartree
240	RY*(4)C11 s(39.40%)p0.23(8.93%)d1.31(51.67%)	0.000969266	1.884910266 Hartree
241	RY*(5)C11 s(24.94%)p1.84(45.82%)d1.17(29.25%)	0.000494494	1.685177341 Hartree
242	RY*(6)C11 s(0.00%)p1.00(7.53%)d12.29(92.47%)	0.000357959	2.866418686 Hartree
243	RY*(7)C11 s(12.35%)p4.18(51.66%)d2.91(35.99%)	0.000262542	2.052332076 Hartree
244	RY*(8)C11 s(27.72%)p1.03(28.42%)d1.58(43.86%)	0.000146961	2.148255166 Hartree
245	RY*(9)C11 s(0.00%)p1.00(48.31%)d1.07(51.69%)	0.000132468	0.923649346 Hartree
246	RY*(10)C11 s(33.18%)p0.83(27.39%)d1.19(39.42%)	0.000082646	1.729624320 Hartree
247	RY*(11)C11 s(22.29%)p0.98(21.94%)d2.50(55.77%)	0.000059905	1.696183215 Hartree
248	RY*(12)C11 s(11.52%)p1.58(18.22%)d6.10(70.27%)	0.000041786	2.742816744 Hartree
249	RY*(13)C11 s(17.74%)p3.42(60.58%)d1.22(21.68%)	0.000018823	3.343952894 Hartree
250	RY*(14)C11 s(4.88%)p4.83(23.60%)d14.65(71.52%)	0.000005689	2.941852691 Hartree
251	RY*(15)C11 s(0.00%)p1.00(19.39%)d4.16(80.61%)	0.000007113	1.350477927 Hartree
252	RY*(16)C11 s(6.17%)p8.79(54.22%)d6.42(39.61%)	0.000013262	1.807788666 Hartree
253	RY*(17)C11 s(0.00%)p1.00(96.69%)d0.03(3.31%)	0.000001997	2.813296004 Hartree
254	RY*(18)C11 s(6.94%)p8.58(59.49%)d4.84(33.58%)	0.000006847	2.733044485 Hartree
255	RY*(19)C11 s(0.00%)p1.00(49.96%)d1.00(50.04%)	0.000003648	1.252797588 Hartree
256	RY*(20)C11 s(90.59%)p0.08(7.53%)d0.02(1.89%)	0.000002203	19.651240603 Hartree
257	RY*(21)C11 s(0.00%)p1.00(1.15%)d85.93(98.85%)	0.000001815	2.787378581 Hartree
258	RY*(22)C11 s(1.84%)p2.47(4.53%)d51.02(93.63%)	0.000001576	3.458721460 Hartree
259	RY*(1)H12 s(99.89%)p0.00(0.11%)	0.000820420	1.298430443 Hartree
260	RY*(2)H12 s(0.00%)p1.00(100.00%)	0.000199726	1.933319766 Hartree
261	RY*(3)H12 s(84.19%)p0.19(15.81%)	0.000154864	2.120031653 Hartree
262	RY*(4)H12 s(0.17%)p99.99(99.83%)	0.000052468	2.599086248 Hartree
263	RY*(5)H12 s(15.79%)p5.33(84.21%)	0.000039707	2.580538005 Hartree
264	RY*(1)H13 s(98.80%)p0.01(1.20%)	0.000627495	1.250570319 Hartree
265	RY*(2)H13 s(0.00%)p1.00(100.00%)	0.000209131	1.920010305 Hartree
266	RY*(3)H13 s(91.08%)p0.10(8.92%)	0.000168974	2.013761438 Hartree
267	RY*(4)H13 s(5.09%)p18.64(94.91%)	0.000063438	2.643836575 Hartree
268	RY*(5)H13 s(5.07%)p18.72(94.93%)	0.000037262	2.625617363 Hartree
269	RY*(1)C14 s(12.14%)p7.23(87.72%)d0.01(0.14%)	0.015969660	1.017956990 Hartree
270	RY*(2)C14 s(2.24%)p33.06(74.08%)d10.57(23.68%)	0.003997215	1.778367515 Hartree
271	RY*(3)C14 s(12.14%)p3.46(42.01%)d3.78(45.85%)	0.001951000	2.070037799 Hartree
272	RY*(4)C14 s(0.00%)p1.00(37.41%)d1.67(62.59%)	0.001415432	1.729812639 Hartree
273	RY*(5)C14 s(26.65%)p1.41(37.45%)d1.35(35.90%)	0.000712448	1.699188338 Hartree
274	RY*(6)C14 s(0.00%)p1.00(23.33%)d3.29(76.67%)	0.000662775	1.694930047 Hartree
275	RY*(7)C14 s(33.16%)p0.87(28.96%)d1.14(37.88%)	0.000340153	2.402828304 Hartree
276	RY*(8)C14 s(18.54%)p4.09(75.88%)d0.30(5.57%)	0.000290228	1.338565026 Hartree
277	RY*(9)C14 s(14.12%)p1.26(17.82%)d4.82(68.06%)	0.000122177	4.301785264 Hartree
278	RY*(10)C14 s(0.00%)p1.00(40.82%)d1.45(59.18%)	0.000044996	1.553694813 Hartree
279	RY*(11)C14 s(3.24%)p16.76(54.34%)d13.08(42.41%)	0.000051680	2.995098502 Hartree
280	RY*(12)C14 s(72.23%)p0.24(17.25%)d0.15(10.52%)	0.000047575	4.820403354 Hartree
281	RY*(13)C14 s(15.81%)p0.63(9.89%)d4.70(74.30%)	0.000007263	2.826998633 Hartree
282	RY*(14)C14 s(4.98%)p2.37(11.78%)d16.73(83.24%)	0.000009113	3.219254209 Hartree
283	RY*(15)C14 s(62.23%)p0.00(0.19%)d0.60(37.57%)	0.000001553	12.326742005 Hartree
284	RY*(16)C14 s(0.00%)p1.00(0.37%)d99.99(99.63%)	0.000001077	2.935060243 Hartree
285	RY*(17)C14 s(19.45%)p2.10(40.93%)d2.04(39.62%)	0.000009798	6.167240251 Hartree
286	RY*(18)C14 s(0.00%)p1.00(0.83%)d99.99(99.17%)	0.000000068	3.055381419 Hartree
287	RY*(19)C14 s(2.67%)p36.32(96.88%)d0.17(0.45%)	0.000008520	1.854496196 Hartree
288	RY*(20)C14 s(0.51%)p9.55(4.89%)d99.99(94.60%)	0.000002176	3.111415037 Hartree
289	RY*(21)C14 s(0.00%)p1.00(97.48%)d0.03(2.52%)	0.000000063	0.391654912 Hartree
290	RY*(22)C14 s(0.00%)p1.00(99.90%)d0.00(0.10%)	0.000000438	2.745920581 Hartree
291	RY*(1)C15 s(7.04%)p12.65(89.09%)d0.55(3.86%)	0.002325758	0.858411432 Hartree
292	RY*(2)C15 s(19.31%)p2.82(54.40%)d1.36(26.29%)	0.001104889	0.879193877 Hartree
293	RY*(3)C15 s(21.48%)p1.30(27.95%)d2.35(50.56%)	0.000558296	0.984662264 Hartree
294	RY*(4)C15 s(0.00%)p1.00(40.77%)d1.45(59.23%)	0.000328274	0.929758518 Hartree
295	RY*(5)C15 s(7.28%)p7.74(56.39%)d4.99(36.33%)	0.000211075	0.864253470 Hartree
296	RY*(6)C15 s(0.00%)p1.00(14.82%)d5.75(85.18%)	0.000174680	1.483795856 Hartree
297	RY*(7)C15 s(14.30%)p2.97(42.51%)d3.02(43.18%)	0.000150821	2.210799356 Hartree
298	RY*(8)C15 s(14.55%)p4.00(58.24%)d1.87(27.21%)	0.000058624	2.131241278 Hartree
299	RY*(9)C15 s(0.00%)p1.00(43.98%)d1.27(56.02%)	0.000030361	0.737494882 Hartree
300	RY*(10)C15 s(32.44%)p1.40(45.46%)d0.68(22.09%)	0.000011335	0.885215448 Hartree
301	RY*(11)C15 s(14.90%)p1.65(24.61%)d4.06(60.49%)	0.000014045	1.149371650 Hartree
302	RY*(12)C15 s(0.00%)p1.00(97.69%)d0.02(2.31%)	0.000000034	3.002101302 Hartree
303	RY*(13)C15 s(24.09%)p3.04(73.28%)d0.11(2.63%)	0.000008955	0.624935837 Hartree
304	RY*(14)C15 s(1.63%)p0.53(0.86%)d59.77(97.51%)	0.000002107	3.369669647 Hartree
305	RY*(15)C15 s(19.94%)p3.24(64.59%)d0.78(15.47%)	0.000009328	2.332048536 Hartree
306	RY*(16)C15 s(0.00%)p1.00(23.72%)d3.22(76.28%)	0.000000118	2.732325706 Hartree
307	RY*(17)C15 s(98.66%)p0.01(1.08%)d0.00(0.26%)	0.000000166	22.799752269 Hartree
308	RY*(18)C15 s(0.00%)p1.00(1.90%)d51.60(98.10%)	0.000000001	3.243905716 Hartree
309	RY*(19)C15 s(0.00%)p1.00(77.26%)d0.29(22.74%)	0.000000200	0.540451042 Hartree
310	RY*(20)C15 s(1.93%)p0.33(0.63%)d50.45(97.44%)	0.000001957	3.495895255 Hartree
311	RY*(21)C15 s(22.29%)p2.48(55.20%)d1.01(22.50%)	0.000004637	1.808927201 Hartree
312	RY*(22)C15 s(0.19%)p31.22(5.93%)d99.99(93.88%)	0.000002079	3.280677601 Hartree
313	RY*(1)H16 s(98.07%)p0.02(1.93%)	0.001440756	0.980349862 Hartree
314	RY*(2)H16 s(60.57%)p0.65(39.43%)	0.000122248	2.119454727 Hartree
315	RY*(3)H16 s(0.00%)p1.00(100.00%)	0.000113978	1.897567123 Hartree
316	RY*(4)H16 s(18.66%)p4.36(81.34%)	0.000090078	2.214014394 Hartree
317	RY*(5)H16 s(22.73%)p3.40(77.27%)	0.000028559	2.339565810 Hartree
318	RY*(1)H17 s(96.89%)p0.03(3.11%)	0.000900849	0.749835159 Hartree
319	RY*(2)H17 s(36.49%)p1.74(63.51%)	0.000126845	1.998138885 Hartree
320	RY*(3)H17 s(4.10%)p23.37(95.90%)	0.000125319	2.015019264 Hartree
321	RY*(4)H17 s(57.15%)p0.75(42.85%)	0.000067632	2.203437332 Hartree
322	RY*(5)H17 s(5.39%)p17.55(94.61%)	0.000029534	2.601114988 Hartree
323	RY*(1)H18 s(96.89%)p0.03(3.11%)	0.000900849	0.749835159 Hartree
324	RY*(2)H18 s(36.49%)p1.74(63.51%)	0.000126845	1.998138885 Hartree
325	RY*(3)H18 s(4.10%)p23.37(95.90%)	0.000125319	2.015019264 Hartree
326	RY*(4)H18 s(57.15%)p0.75(42.85%)	0.000067632	2.203437332 Hartree
327	RY*(5)H18 s(5.39%)p17.55(94.61%)	0.000029534	2.601114988 Hartree
328	RY*(1)O19 s(1.84%)p52.52(96.89%)d0.68(1.26%)	0.004700511	0.895626677 Hartree
329	RY*(2)O19 s(0.00%)p1.00(94.28%)d0.06(5.72%)	0.000821938	0.776396063 Hartree
330	RY*(3)O19 s(59.28%)p0.56(32.94%)d0.13(7.78%)	0.000585359	1.349106686 Hartree
331	RY*(4)O19 s(14.72%)p4.00(58.83%)d1.80(26.45%)	0.000216652	1.310454968 Hartree
332	RY*(5)O19 s(13.02%)p1.95(25.40%)d4.73(61.59%)	0.000132680	2.129889218 Hartree
333	RY*(6)O19 s(0.00%)p1.00(20.59%)d3.86(79.41%)	0.000096191	1.468932411 Hartree
334	RY*(7)O19 s(12.90%)p2.25(29.09%)d4.50(58.01%)	0.000081613	2.192161823 Hartree
335	RY*(8)O19 s(12.62%)p6.37(80.42%)d0.55(6.96%)	0.000035979	1.540901313 Hartree
336	RY*(9)O19 s(2.77%)p10.46(28.96%)d24.65(68.27%)	0.000037660	2.446492843 Hartree
337	RY*(10)O19 s(8.81%)p7.14(62.93%)d3.21(28.27%)	0.000014853	2.122942359 Hartree
338	RY*(11)O19 s(0.00%)p1.00(79.40%)d0.26(20.60%)	0.000001776	1.110157770 Hartree
339	RY*(12)O19 s(0.00%)p1.00(99.23%)d0.01(0.77%)	0.000000030	4.992783363 Hartree
340	RY*(13)O19 s(99.94%)p0.00(0.02%)d0.00(0.04%)	0.000000026	49.505265651 Hartree
341	RY*(14)O19 s(0.62%)p7.07(4.36%)d99.99(95.03%)	0.000000575	6.376055986 Hartree
342	RY*(15)O19 s(0.00%)p1.00(3.55%)d27.17(96.45%)	0.000001083	1.568121541 Hartree
343	RY*(16)O19 s(0.00%)p1.00(2.36%)d41.39(97.64%)	0.000000340	6.670154788 Hartree
344	RY*(17)O19 s(0.32%)p99.99(95.36%)d13.44(4.32%)	0.000000915	4.929436428 Hartree
345	RY*(18)O19 s(0.00%)p1.00(0.98%)d99.99(99.02%)	0.000000384	6.674077457 Hartree
346	RY*(19)O19 s(70.08%)p0.11(7.50%)d0.32(22.42%)	0.000005166	1.386040755 Hartree
347	RY*(20)O19 s(0.53%)p2.17(1.16%)d99.99(98.31%)	0.000000384	6.774779276 Hartree
348	RY*(21)O19 s(2.56%)p29.33(74.96%)d8.80(22.49%)	0.000001806	4.045275606 Hartree
349	RY*(22)O19 s(0.04%)p54.49(1.99%)d99.99(97.98%)	0.000000168	6.675993739 Hartree
350	RY*(1)H20 s(97.39%)p0.03(2.61%)	0.001066614	1.365306200 Hartree
351	RY*(2)H20 s(85.45%)p0.17(14.55%)	0.000191938	2.071170901 Hartree
352	RY*(3)H20 s(0.00%)p1.00(100.00%)	0.000180100	1.937980130 Hartree
353	RY*(4)H20 s(3.78%)p25.46(96.22%)	0.000061470	2.613905057 Hartree
354	RY*(5)H20 s(13.43%)p6.45(86.57%)	0.000035700	2.540429387 Hartree
355	RY*(1)H21 s(99.04%)p0.01(0.96%)	0.000756005	1.311682458 Hartree
356	RY*(2)H21 s(0.00%)p1.00(100.00%)	0.000207150	1.943739138 Hartree
357	RY*(3)H21 s(89.19%)p0.12(10.81%)	0.000157673	2.021654989 Hartree
358	RY*(4)H21 s(1.65%)p59.50(98.35%)	0.000045913	2.618800079 Hartree
359	RY*(5)H21 s(10.15%)p8.85(89.85%)	0.000048413	2.655163269 Hartree
360	RY*(1)H22 s(98.35%)p0.02(1.65%)	0.001230937	0.795080272 Hartree
361	RY*(2)H22 s(55.44%)p0.80(44.56%)	0.000176736	2.071044488 Hartree
362	RY*(3)H22 s(3.15%)p30.70(96.85%)	0.000144964	2.177985856 Hartree
363	RY*(4)H22 s(33.25%)p2.01(66.75%)	0.000039401	2.553205850 Hartree
364	RY*(5)H22 s(9.84%)p9.16(90.16%)	0.000046940	2.493690842 Hartree
365	RY*(1)H23 s(98.35%)p0.02(1.65%)	0.001230937	0.795080272 Hartree
366	RY*(2)H23 s(55.44%)p0.80(44.56%)	0.000176736	2.071044488 Hartree
367	RY*(3)H23 s(3.15%)p30.70(96.85%)	0.000144964	2.177985857 Hartree
368	RY*(4)H23 s(33.25%)p2.01(66.75%)	0.000039401	2.553205850 Hartree
369	RY*(5)H23 s(9.84%)p9.16(90.16%)	0.000046940	2.493690842 Hartree

Natural Bond Orbitals

Display Range		- / 369
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	BD(1)C1-C2	1, 2	1.990542238	-0.617640181 Hartree
2	BD(1)C1-C6	3, 4	1.978649931	-0.629407265 Hartree
3	BD(1)C1-H22	5, 6	1.966641240	-0.494606645 Hartree
4	BD(1)C1-H23	7, 8	1.966641240	-0.494606645 Hartree
5	BD(1)C2-H3	9, 10	1.987880531	-0.503518533 Hartree
6	BD(1)C2-H4	11, 12	1.988814283	-0.505461456 Hartree
7	BD(1)C2-H5	13, 14	1.988814283	-0.505461456 Hartree
8	BD(1)C6-C7	15, 16	1.973160535	-0.700845075 Hartree
9	BD(2)C6-C7	17, 18	1.628813438	-0.255153918 Hartree
10	BD(1)C6-C11	19, 20	1.973283948	-0.698439110 Hartree
11	BD(1)C7-C8	21, 22	1.977817090	-0.703828537 Hartree
12	BD(1)C7-H21	23, 24	1.977923896	-0.518713336 Hartree
13	BD(1)C8-C9	25, 26	1.972290444	-0.694259820 Hartree
14	BD(2)C8-C9	27, 28	1.622579413	-0.252326298 Hartree
15	BD(1)C8-H20	29, 30	1.977539934	-0.511353114 Hartree
16	BD(1)C9-C10	31, 32	1.974206032	-0.700238844 Hartree
17	BD(1)C9-C14	33, 34	1.977677075	-0.653891466 Hartree
18	BD(1)C10-C11	35, 36	1.977433552	-0.709471895 Hartree
19	BD(2)C10-C11	37, 38	1.680011921	-0.261833158 Hartree
20	BD(1)C10-H13	39, 40	1.978140189	-0.527540057 Hartree
21	BD(1)C11-H12	41, 42	1.978327452	-0.520420759 Hartree
22	BD(1)C14-C15	43, 44	1.989386322	-0.639717579 Hartree
23	BD(1)C14-O19	45, 46	1.994919925	-1.074529439 Hartree
24	BD(2)C14-O19	47, 48	1.973050525	-0.375039953 Hartree
25	BD(1)C15-H16	49, 50	1.989006380	-0.509984920 Hartree
26	BD(1)C15-H17	51, 52	1.973083916	-0.515717200 Hartree
27	BD(1)C15-H18	53, 54	1.973083916	-0.515717200 Hartree
28	CR(1)C1	55	1.999226682	-10.043085242 Hartree
29	CR(1)C2	56	1.999374883	-10.029483481 Hartree
30	CR(1)C6	57	1.999028907	-10.048857247 Hartree
31	CR(1)C7	58	1.999041279	-10.030246130 Hartree
32	CR(1)C8	59	1.999069063	-10.031741323 Hartree
33	CR(1)C9	60	1.998911625	-10.039800428 Hartree
34	CR(1)C10	61	1.999080475	-10.039120625 Hartree
35	CR(1)C11	62	1.999046740	-10.032250837 Hartree
36	CR(1)C14	63	1.999281212	-10.135182087 Hartree
37	CR(1)C15	64	1.999276593	-10.033946669 Hartree
38	CR(1)O19	65	1.999755399	-18.842916559 Hartree
39	LP(1)O19	66	1.978951038	-0.685805704 Hartree
40	LP(2)O19	67	1.893584262	-0.263877361 Hartree
41	RY*(1)C1	68	0.003640811	0.886779085 Hartree
42	RY*(2)C1	69	0.001914164	0.864358192 Hartree
43	RY*(3)C1	70	0.000939817	1.368990410 Hartree
44	RY*(4)C1	71	0.000549875	1.307103655 Hartree
45	RY*(5)C1	72	0.000404506	1.276583875 Hartree
46	RY*(6)C1	73	0.000277180	1.407981003 Hartree
47	RY*(7)C1	74	0.000286492	2.076620796 Hartree
48	RY*(8)C1	75	0.000158274	2.335831761 Hartree
49	RY*(9)C1	76	0.000058225	1.536212321 Hartree
50	RY*(10)C1	77	0.000061664	1.665825348 Hartree
51	RY*(11)C1	78	0.000046944	1.469891695 Hartree
52	RY*(12)C1	79	0.000000118	3.238554401 Hartree
53	RY*(13)C1	80	0.000004225	3.022616045 Hartree
54	RY*(14)C1	81	0.000001202	22.667232253 Hartree
55	RY*(15)C1	82	0.000001360	2.653546242 Hartree
56	RY*(16)C1	83	0.000003869	3.310353324 Hartree
57	RY*(17)C1	84	0.000008286	2.352945603 Hartree
58	RY*(18)C1	85	0.000003564	1.990520409 Hartree
59	RY*(19)C1	86	0.000006123	1.382178779 Hartree
60	RY*(20)C1	87	0.000000642	0.343004417 Hartree
61	RY*(21)C1	88	0.000009318	1.426016919 Hartree
62	RY*(22)C1	89	0.000002900	3.472614428 Hartree
63	RY*(1)C2	90	0.002183457	0.834013433 Hartree
64	RY*(2)C2	91	0.000832835	0.964391289 Hartree
65	RY*(3)C2	92	0.000412886	1.683463583 Hartree
66	RY*(4)C2	93	0.000272535	0.989777091 Hartree
67	RY*(5)C2	94	0.000190947	0.836276518 Hartree
68	RY*(6)C2	95	0.000104330	1.367280474 Hartree
69	RY*(7)C2	96	0.000071348	1.451623043 Hartree
70	RY*(8)C2	97	0.000020419	0.518981802 Hartree
71	RY*(9)C2	98	0.000012436	2.333619115 Hartree
72	RY*(10)C2	99	0.000007798	0.839427814 Hartree
73	RY*(11)C2	100	0.000003941	1.987935915 Hartree
74	RY*(12)C2	101	0.000000039	3.199183880 Hartree
75	RY*(13)C2	102	0.000001193	1.349769866 Hartree
76	RY*(14)C2	103	0.000002916	3.133024680 Hartree
77	RY*(15)C2	104	0.000000957	1.196649584 Hartree
78	RY*(16)C2	105	0.000000112	2.456539541 Hartree
79	RY*(17)C2	106	0.000005374	1.600742569 Hartree
80	RY*(18)C2	107	0.000000007	3.290194382 Hartree
81	RY*(19)C2	108	0.000008526	1.658892341 Hartree
82	RY*(20)C2	109	0.000009993	2.347272056 Hartree
83	RY*(21)C2	110	0.000000229	23.057411450 Hartree
84	RY*(22)C2	111	0.000001788	3.293594189 Hartree
85	RY*(1)H3	112	0.000560708	0.843839321 Hartree
86	RY*(2)H3	113	0.000130825	2.056079481 Hartree
87	RY*(3)H3	114	0.000104544	1.938766112 Hartree
88	RY*(4)H3	115	0.000056945	2.134497314 Hartree
89	RY*(5)H3	116	0.000010647	2.667753026 Hartree
90	RY*(1)H4	117	0.000910275	0.719043096 Hartree
91	RY*(2)H4	118	0.000164882	2.043295979 Hartree
92	RY*(3)H4	119	0.000116720	2.041812916 Hartree
93	RY*(4)H4	120	0.000060125	2.145319403 Hartree
94	RY*(5)H4	121	0.000040505	2.765115356 Hartree
95	RY*(1)H5	122	0.000910275	0.719043096 Hartree
96	RY*(2)H5	123	0.000164882	2.043295979 Hartree
97	RY*(3)H5	124	0.000116720	2.041812916 Hartree
98	RY*(4)H5	125	0.000060125	2.145319403 Hartree
99	RY*(5)H5	126	0.000040505	2.765115356 Hartree
100	RY*(1)C6	127	0.006645039	1.302778064 Hartree
101	RY*(2)C6	128	0.004099450	1.127360453 Hartree
102	RY*(3)C6	129	0.001627865	2.183418347 Hartree
103	RY*(4)C6	130	0.001275618	1.007126832 Hartree
104	RY*(5)C6	131	0.000869108	2.098548208 Hartree
105	RY*(6)C6	132	0.000462818	1.323274382 Hartree
106	RY*(7)C6	133	0.000441418	3.077995830 Hartree
107	RY*(8)C6	134	0.000330407	1.681140337 Hartree
108	RY*(9)C6	135	0.000179865	1.631672187 Hartree
109	RY*(10)C6	136	0.000145834	2.279030011 Hartree
110	RY*(11)C6	137	0.000071379	3.722446041 Hartree
111	RY*(12)C6	138	0.000064479	2.730340705 Hartree
112	RY*(13)C6	139	0.000067182	2.594460749 Hartree
113	RY*(14)C6	140	0.000028449	1.597359662 Hartree
114	RY*(15)C6	141	0.000036283	3.301606828 Hartree
115	RY*(16)C6	142	0.000030728	2.408400376 Hartree
116	RY*(17)C6	143	0.000010015	3.277405767 Hartree
117	RY*(18)C6	144	0.000000156	2.314357138 Hartree
118	RY*(19)C6	145	0.000001365	17.855161946 Hartree
119	RY*(20)C6	146	0.000000835	0.706841782 Hartree
120	RY*(21)C6	147	0.000000056	2.649776719 Hartree
121	RY*(22)C6	148	0.000001881	3.436146432 Hartree
122	RY*(1)C7	149	0.005437989	1.314078892 Hartree
123	RY*(2)C7	150	0.002122924	1.422838008 Hartree
124	RY*(3)C7	151	0.000994719	0.500847486 Hartree
125	RY*(4)C7	152	0.000807049	1.933815407 Hartree
126	RY*(5)C7	153	0.000418828	2.034793049 Hartree
127	RY*(6)C7	154	0.000351942	2.480595571 Hartree
128	RY*(7)C7	155	0.000226935	1.310093284 Hartree
129	RY*(8)C7	156	0.000199045	1.353353527 Hartree
130	RY*(9)C7	157	0.000149263	2.049982833 Hartree
131	RY*(10)C7	158	0.000074572	0.966662869 Hartree
132	RY*(11)C7	159	0.000076484	1.947747513 Hartree
133	RY*(12)C7	160	0.000046554	3.167621599 Hartree
134	RY*(13)C7	161	0.000036640	3.082764254 Hartree
135	RY*(14)C7	162	0.000041016	0.702000736 Hartree
136	RY*(15)C7	163	0.000023921	2.777616625 Hartree
137	RY*(16)C7	164	0.000002260	2.978406234 Hartree
138	RY*(17)C7	165	0.000001429	2.850881532 Hartree
139	RY*(18)C7	166	0.000005937	2.059053053 Hartree
140	RY*(19)C7	167	0.000004840	3.100169954 Hartree
141	RY*(20)C7	168	0.000003791	19.538355687 Hartree
142	RY*(21)C7	169	0.000009320	1.991593523 Hartree
143	RY*(22)C7	170	0.000003544	3.514524741 Hartree
144	RY*(1)C8	171	0.007080624	1.292097969 Hartree
145	RY*(2)C8	172	0.003171779	1.073691427 Hartree
146	RY*(3)C8	173	0.000991310	1.583525753 Hartree
147	RY*(4)C8	174	0.000933162	0.729221041 Hartree
148	RY*(5)C8	175	0.000503389	2.525305844 Hartree
149	RY*(6)C8	176	0.000374226	2.691059179 Hartree
150	RY*(7)C8	177	0.000286905	1.981986447 Hartree
151	RY*(8)C8	178	0.000206533	1.468871023 Hartree
152	RY*(9)C8	179	0.000157002	1.988764383 Hartree
153	RY*(10)C8	180	0.000140882	0.790444162 Hartree
154	RY*(11)C8	181	0.000076311	2.789550105 Hartree
155	RY*(12)C8	182	0.000059236	2.485359318 Hartree
156	RY*(13)C8	183	0.000042089	2.390242205 Hartree
157	RY*(14)C8	184	0.000015217	2.930469947 Hartree
158	RY*(15)C8	185	0.000005985	1.005873308 Hartree
159	RY*(16)C8	186	0.000001334	2.873083117 Hartree
160	RY*(17)C8	187	0.000002857	2.834647468 Hartree
161	RY*(18)C8	188	0.000007702	1.547041825 Hartree
162	RY*(19)C8	189	0.000005037	19.909394667 Hartree
163	RY*(20)C8	190	0.000008348	2.645997519 Hartree
164	RY*(21)C8	191	0.000008021	2.098169451 Hartree
165	RY*(22)C8	192	0.000001349	3.473459545 Hartree
166	RY*(1)C9	193	0.006676571	1.403333782 Hartree
167	RY*(2)C9	194	0.005142853	1.301747409 Hartree
168	RY*(3)C9	195	0.001180389	1.413245218 Hartree
169	RY*(4)C9	196	0.001005073	0.698261940 Hartree
170	RY*(5)C9	197	0.000719207	2.169249910 Hartree
171	RY*(6)C9	198	0.000591994	2.653015660 Hartree
172	RY*(7)C9	199	0.000440440	2.730187643 Hartree
173	RY*(8)C9	200	0.000280311	1.798546172 Hartree
174	RY*(9)C9	201	0.000241407	1.889958909 Hartree
175	RY*(10)C9	202	0.000122759	2.867965325 Hartree
176	RY*(11)C9	203	0.000099362	1.792686829 Hartree
177	RY*(12)C9	204	0.000081868	2.895206126 Hartree
178	RY*(13)C9	205	0.000056542	1.540332699 Hartree
179	RY*(14)C9	206	0.000059704	3.139424971 Hartree
180	RY*(15)C9	207	0.000041696	2.601812954 Hartree
181	RY*(16)C9	208	0.000047885	2.866793797 Hartree
182	RY*(17)C9	209	0.000020338	2.785773171 Hartree
183	RY*(18)C9	210	0.000000476	2.509785595 Hartree
184	RY*(19)C9	211	0.000000013	2.673932050 Hartree
185	RY*(20)C9	212	0.000002190	18.296541792 Hartree
186	RY*(21)C9	213	0.000001090	0.651958583 Hartree
187	RY*(22)C9	214	0.000001957	3.464050233 Hartree
188	RY*(1)C10	215	0.005852637	1.300993455 Hartree
189	RY*(2)C10	216	0.001928094	1.455825519 Hartree
190	RY*(3)C10	217	0.000946580	0.460728896 Hartree
191	RY*(4)C10	218	0.000877910	1.921830688 Hartree
192	RY*(5)C10	219	0.000494919	1.786828753 Hartree
193	RY*(6)C10	220	0.000481391	2.537651036 Hartree
194	RY*(7)C10	221	0.000262370	1.791782825 Hartree
195	RY*(8)C10	222	0.000156830	1.858547879 Hartree
196	RY*(9)C10	223	0.000147078	2.225328104 Hartree
197	RY*(10)C10	224	0.000103847	0.962040996 Hartree
198	RY*(11)C10	225	0.000064165	2.114472990 Hartree
199	RY*(12)C10	226	0.000065254	1.732793777 Hartree
200	RY*(13)C10	227	0.000061825	2.786775644 Hartree
201	RY*(14)C10	228	0.000034521	0.660036711 Hartree
202	RY*(15)C10	229	0.000032845	3.493950062 Hartree
203	RY*(16)C10	230	0.000004104	2.860931853 Hartree
204	RY*(17)C10	231	0.000002730	2.808783218 Hartree
205	RY*(18)C10	232	0.000005946	2.167232720 Hartree
206	RY*(19)C10	233	0.000011898	2.888265283 Hartree
207	RY*(20)C10	234	0.000002870	19.861311626 Hartree
208	RY*(21)C10	235	0.000008210	1.835038890 Hartree
209	RY*(22)C10	236	0.000003072	3.495082477 Hartree
210	RY*(1)C11	237	0.006618786	1.278290769 Hartree
211	RY*(2)C11	238	0.002260857	1.128635642 Hartree
212	RY*(3)C11	239	0.001062100	0.469289100 Hartree
213	RY*(4)C11	240	0.000969266	1.884910266 Hartree
214	RY*(5)C11	241	0.000494494	1.685177341 Hartree
215	RY*(6)C11	242	0.000357959	2.866418686 Hartree
216	RY*(7)C11	243	0.000262542	2.052332076 Hartree
217	RY*(8)C11	244	0.000146961	2.148255166 Hartree
218	RY*(9)C11	245	0.000132468	0.923649346 Hartree
219	RY*(10)C11	246	0.000082646	1.729624320 Hartree
220	RY*(11)C11	247	0.000059905	1.696183215 Hartree
221	RY*(12)C11	248	0.000041786	2.742816744 Hartree
222	RY*(13)C11	249	0.000018823	3.343952894 Hartree
223	RY*(14)C11	250	0.000005689	2.941852691 Hartree
224	RY*(15)C11	251	0.000007113	1.350477927 Hartree
225	RY*(16)C11	252	0.000013262	1.807788666 Hartree
226	RY*(17)C11	253	0.000001997	2.813296004 Hartree
227	RY*(18)C11	254	0.000006848	2.733044485 Hartree
228	RY*(19)C11	255	0.000003648	1.252797588 Hartree
229	RY*(20)C11	256	0.000002203	19.651240603 Hartree
230	RY*(21)C11	257	0.000001815	2.787378581 Hartree
231	RY*(22)C11	258	0.000001576	3.458721460 Hartree
232	RY*(1)H12	259	0.000820420	1.298430443 Hartree
233	RY*(2)H12	260	0.000199726	1.933319766 Hartree
234	RY*(3)H12	261	0.000154864	2.120031653 Hartree
235	RY*(4)H12	262	0.000052468	2.599086248 Hartree
236	RY*(5)H12	263	0.000039707	2.580538005 Hartree
237	RY*(1)H13	264	0.000627495	1.250570319 Hartree
238	RY*(2)H13	265	0.000209131	1.920010305 Hartree
239	RY*(3)H13	266	0.000168974	2.013761438 Hartree
240	RY*(4)H13	267	0.000063438	2.643836575 Hartree
241	RY*(5)H13	268	0.000037262	2.625617363 Hartree
242	RY*(1)C14	269	0.015969660	1.017956990 Hartree
243	RY*(2)C14	270	0.003997215	1.778367515 Hartree
244	RY*(3)C14	271	0.001951000	2.070037799 Hartree
245	RY*(4)C14	272	0.001415432	1.729812639 Hartree
246	RY*(5)C14	273	0.000712448	1.699188338 Hartree
247	RY*(6)C14	274	0.000662775	1.694930047 Hartree
248	RY*(7)C14	275	0.000340153	2.402828304 Hartree
249	RY*(8)C14	276	0.000290228	1.338565026 Hartree
250	RY*(9)C14	277	0.000122177	4.301785264 Hartree
251	RY*(10)C14	278	0.000044996	1.553694813 Hartree
252	RY*(11)C14	279	0.000051680	2.995098502 Hartree
253	RY*(12)C14	280	0.000047575	4.820403354 Hartree
254	RY*(13)C14	281	0.000007263	2.826998633 Hartree
255	RY*(14)C14	282	0.000009113	3.219254209 Hartree
256	RY*(15)C14	283	0.000001553	12.326742005 Hartree
257	RY*(16)C14	284	0.000001077	2.935060243 Hartree
258	RY*(17)C14	285	0.000009798	6.167240251 Hartree
259	RY*(18)C14	286	0.000000068	3.055381419 Hartree
260	RY*(19)C14	287	0.000008520	1.854496196 Hartree
261	RY*(20)C14	288	0.000002176	3.111415037 Hartree
262	RY*(21)C14	289	0.000000063	0.391654912 Hartree
263	RY*(22)C14	290	0.000000438	2.745920581 Hartree
264	RY*(1)C15	291	0.002325758	0.858411432 Hartree
265	RY*(2)C15	292	0.001104889	0.879193877 Hartree
266	RY*(3)C15	293	0.000558296	0.984662264 Hartree
267	RY*(4)C15	294	0.000328274	0.929758518 Hartree
268	RY*(5)C15	295	0.000211075	0.864253470 Hartree
269	RY*(6)C15	296	0.000174680	1.483795856 Hartree
270	RY*(7)C15	297	0.000150821	2.210799356 Hartree
271	RY*(8)C15	298	0.000058624	2.131241278 Hartree
272	RY*(9)C15	299	0.000030361	0.737494882 Hartree
273	RY*(10)C15	300	0.000011335	0.885215448 Hartree
274	RY*(11)C15	301	0.000014045	1.149371650 Hartree
275	RY*(12)C15	302	0.000000034	3.002101302 Hartree
276	RY*(13)C15	303	0.000008955	0.624935837 Hartree
277	RY*(14)C15	304	0.000002107	3.369669647 Hartree
278	RY*(15)C15	305	0.000009328	2.332048536 Hartree
279	RY*(16)C15	306	0.000000118	2.732325706 Hartree
280	RY*(17)C15	307	0.000000166	22.799752269 Hartree
281	RY*(18)C15	308	0.000000001	3.243905716 Hartree
282	RY*(19)C15	309	0.000000200	0.540451042 Hartree
283	RY*(20)C15	310	0.000001957	3.495895255 Hartree
284	RY*(21)C15	311	0.000004637	1.808927201 Hartree
285	RY*(22)C15	312	0.000002079	3.280677601 Hartree
286	RY*(1)H16	313	0.001440756	0.980349862 Hartree
287	RY*(2)H16	314	0.000122248	2.119454727 Hartree
288	RY*(3)H16	315	0.000113978	1.897567123 Hartree
289	RY*(4)H16	316	0.000090078	2.214014394 Hartree
290	RY*(5)H16	317	0.000028559	2.339565810 Hartree
291	RY*(1)H17	318	0.000900849	0.749835159 Hartree
292	RY*(2)H17	319	0.000126845	1.998138885 Hartree
293	RY*(3)H17	320	0.000125319	2.015019264 Hartree
294	RY*(4)H17	321	0.000067632	2.203437332 Hartree
295	RY*(5)H17	322	0.000029534	2.601114988 Hartree
296	RY*(1)H18	323	0.000900849	0.749835159 Hartree
297	RY*(2)H18	324	0.000126845	1.998138885 Hartree
298	RY*(3)H18	325	0.000125319	2.015019264 Hartree
299	RY*(4)H18	326	0.000067632	2.203437332 Hartree
300	RY*(5)H18	327	0.000029534	2.601114988 Hartree
301	RY*(1)O19	328	0.004700511	0.895626677 Hartree
302	RY*(2)O19	329	0.000821938	0.776396063 Hartree
303	RY*(3)O19	330	0.000585359	1.349106686 Hartree
304	RY*(4)O19	331	0.000216652	1.310454968 Hartree
305	RY*(5)O19	332	0.000132680	2.129889218 Hartree
306	RY*(6)O19	333	0.000096191	1.468932411 Hartree
307	RY*(7)O19	334	0.000081613	2.192161823 Hartree
308	RY*(8)O19	335	0.000035979	1.540901313 Hartree
309	RY*(9)O19	336	0.000037660	2.446492843 Hartree
310	RY*(10)O19	337	0.000014853	2.122942359 Hartree
311	RY*(11)O19	338	0.000001776	1.110157770 Hartree
312	RY*(12)O19	339	0.000000030	4.992783363 Hartree
313	RY*(13)O19	340	0.000000026	49.505265651 Hartree
314	RY*(14)O19	341	0.000000575	6.376055986 Hartree
315	RY*(15)O19	342	0.000001083	1.568121541 Hartree
316	RY*(16)O19	343	0.000000340	6.670154788 Hartree
317	RY*(17)O19	344	0.000000915	4.929436428 Hartree
318	RY*(18)O19	345	0.000000384	6.674077457 Hartree
319	RY*(19)O19	346	0.000005166	1.386040755 Hartree
320	RY*(20)O19	347	0.000000384	6.774779276 Hartree
321	RY*(21)O19	348	0.000001806	4.045275606 Hartree
322	RY*(22)O19	349	0.000000168	6.675993739 Hartree
323	RY*(1)H20	350	0.001066614	1.365306200 Hartree
324	RY*(2)H20	351	0.000191938	2.071170901 Hartree
325	RY*(3)H20	352	0.000180100	1.937980130 Hartree
326	RY*(4)H20	353	0.000061470	2.613905057 Hartree
327	RY*(5)H20	354	0.000035700	2.540429387 Hartree
328	RY*(1)H21	355	0.000756005	1.311682458 Hartree
329	RY*(2)H21	356	0.000207150	1.943739138 Hartree
330	RY*(3)H21	357	0.000157673	2.021654989 Hartree
331	RY*(4)H21	358	0.000045913	2.618800079 Hartree
332	RY*(5)H21	359	0.000048413	2.655163269 Hartree
333	RY*(1)H22	360	0.001230937	0.795080272 Hartree
334	RY*(2)H22	361	0.000176736	2.071044488 Hartree
335	RY*(3)H22	362	0.000144964	2.177985856 Hartree
336	RY*(4)H22	363	0.000039401	2.553205850 Hartree
337	RY*(5)H22	364	0.000046940	2.493690842 Hartree
338	RY*(1)H23	365	0.001230937	0.795080272 Hartree
339	RY*(2)H23	366	0.000176736	2.071044488 Hartree
340	RY*(3)H23	367	0.000144964	2.177985857 Hartree
341	RY*(4)H23	368	0.000039401	2.553205850 Hartree
342	RY*(5)H23	369	0.000046940	2.493690842 Hartree
343	BD*(1)C1-C2		0.005454143	0.378275189 Hartree
344	BD*(1)C1-C6		0.024094675	0.411262599 Hartree
345	BD*(1)C1-H22		0.016167332	0.381122175 Hartree
346	BD*(1)C1-H23		0.016167332	0.381122175 Hartree
347	BD*(1)C2-H3		0.005197917	0.398183348 Hartree
348	BD*(1)C2-H4		0.008814120	0.392817796 Hartree
349	BD*(1)C2-H5		0.008814120	0.392817796 Hartree
350	BD*(1)C6-C7		0.025303626	0.567019878 Hartree
351	BD*(2)C6-C7		0.335451128	0.029905427 Hartree
352	BD*(1)C6-C11		0.022691976	0.560675490 Hartree
353	BD*(1)C7-C8		0.014321316	0.579031989 Hartree
354	BD*(1)C7-H21		0.015551514	0.434205193 Hartree
355	BD*(1)C8-C9		0.022659173	0.565186165 Hartree
356	BD*(2)C8-C9		0.361092291	0.029086758 Hartree
357	BD*(1)C8-H20		0.015236213	0.442055303 Hartree
358	BD*(1)C9-C10		0.023373027	0.560007382 Hartree
359	BD*(1)C9-C14		0.067952614	0.435494934 Hartree
360	BD*(1)C10-C11		0.014681244	0.575488247 Hartree
361	BD*(2)C10-C11		0.306291114	0.023512206 Hartree
362	BD*(1)C10-H13		0.014167016	0.426799464 Hartree
363	BD*(1)C11-H12		0.015159248	0.420408825 Hartree
364	BD*(1)C14-C15		0.054027361	0.378881753 Hartree
365	BD*(1)C14-O19		0.011300128	0.609392424 Hartree
366	BD*(2)C14-O19		0.138355343	0.015796152 Hartree
367	BD*(1)C15-H16		0.004083361	0.404292984 Hartree
368	BD*(1)C15-H17		0.005885209	0.381088959 Hartree
369	BD*(1)C15-H18		0.005885209	0.381088959 Hartree

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SUCCESS-- IF YOU HAVE TRIED TO DO SOMETHING AND FAILED YOU ARE BETTER OFF THAN IF YOU HAD TRIED TO DO NOTHING AND SUCCEEDED. -- FROM THE BACK OF A SUGAR PACKET

WebMO Job Summary

402538: C10H12O, Natural Bond Orbitals - Gaussian

Calculated Quantities

Overview

Rotational Constants

Partial Charges

Molecular Orbitals

Natural Population Analysis

Natural Atomic Orbitals

Natural Hybrid Orbitals

Natural Bond Orbitals

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