WebMO Job Summary

Overview

Quantity	Value
Route	#N B3LYP/6-31G(d) SP GFINPUT POP=(FULL,NBORead) Geom=Connectivity
Stoichiometry	C₁₄H₁₀
Symmetry	D2H
Basis	6-31G(d)
RB3LYP Energy	-539.462235246 Hartree
Dipole Moment	0.0000 Debye
Server	default (2770053)
CPU time	37.9 sec

Rotational Constants

Constant	Frequency (GHz)	Frequency (cm^-1)
a	2.8381379	0.09467009007
b	0.2481145	0.00827620887
c	0.2281677	0.00761085524

Molecular Orbitals

Display Range		- / 230
Orbital	Symmetry	Occupancy	Energy	Actions
1	B1U	2	-10.21432 Hartree
2	AG	2	-10.21432 Hartree
3	B2U	2	-10.19526 Hartree
4	B3G	2	-10.19526 Hartree
5	AG	2	-10.19525 Hartree
6	B1U	2	-10.19525 Hartree
7	B1U	2	-10.19424 Hartree
8	AG	2	-10.19424 Hartree
9	B3G	2	-10.19358 Hartree
10	B2U	2	-10.19358 Hartree
11	B1U	2	-10.19336 Hartree
12	AG	2	-10.19336 Hartree
13	AG	2	-10.18654 Hartree
14	B1U	2	-10.18435 Hartree
15	AG	2	-0.86119 Hartree
16	B1U	2	-0.85844 Hartree
17	AG	2	-0.78653 Hartree
18	B1U	2	-0.76411 Hartree
19	B2U	2	-0.74821 Hartree
20	B3G	2	-0.74807 Hartree
21	AG	2	-0.71054 Hartree
22	B1U	2	-0.63229 Hartree
23	B2U	2	-0.60795 Hartree
24	B3G	2	-0.60673 Hartree
25	AG	2	-0.60420 Hartree
26	B1U	2	-0.54346 Hartree
27	AG	2	-0.52729 Hartree
28	B1U	2	-0.48652 Hartree
29	AG	2	-0.47482 Hartree
30	B2U	2	-0.45576 Hartree
31	B3G	2	-0.45143 Hartree
32	B1U	2	-0.43814 Hartree
33	AG	2	-0.43076 Hartree
34	B2U	2	-0.42390 Hartree
35	B3G	2	-0.42366 Hartree
36	B3U	2	-0.38221 Hartree
37	B2G	2	-0.37131 Hartree
38	B1U	2	-0.36121 Hartree
39	AG	2	-0.35651 Hartree
40	B2U	2	-0.35124 Hartree
41	B3G	2	-0.34800 Hartree
42	B3U	2	-0.31333 Hartree
43	B2G	2	-0.26802 Hartree
44	B2U	2	-0.26410 Hartree
45	B1G	2	-0.25415 Hartree
46	AU	2	-0.25408 Hartree
47	B3U	2	-0.20905 Hartree
48	B2G	0	-0.04595 Hartree
49	B1G	0	-0.00228 Hartree
50	AU	0	-0.00215 Hartree
51	B3U	0	0.01065 Hartree
52	B3G	0	0.05543 Hartree
53	AG	0	0.09181 Hartree
54	B1U	0	0.09292 Hartree
55	B2G	0	0.10832 Hartree
56	B2U	0	0.13816 Hartree
57	B3G	0	0.14418 Hartree
58	AG	0	0.15049 Hartree
59	B1U	0	0.15743 Hartree
60	B3U	0	0.16203 Hartree
61	AG	0	0.18068 Hartree
62	B2U	0	0.18315 Hartree
63	B1U	0	0.18363 Hartree
64	B3G	0	0.19982 Hartree
65	B2G	0	0.21685 Hartree
66	B1U	0	0.23145 Hartree
67	AG	0	0.25833 Hartree
68	B2U	0	0.30211 Hartree
69	B3G	0	0.30232 Hartree
70	AG	0	0.30500 Hartree
71	B1U	0	0.31054 Hartree
72	B1U	0	0.32100 Hartree
73	B2U	0	0.33470 Hartree
74	B3G	0	0.36072 Hartree
75	AG	0	0.36849 Hartree
76	B2U	0	0.44958 Hartree
77	B3G	0	0.48963 Hartree
78	AG	0	0.50254 Hartree
79	B3U	0	0.50624 Hartree
80	B1U	0	0.50994 Hartree
81	B2G	0	0.52192 Hartree
82	B2U	0	0.53373 Hartree
83	AG	0	0.53740 Hartree
84	B1U	0	0.54358 Hartree
85	B3U	0	0.55040 Hartree
86	B1U	0	0.56181 Hartree
87	B3G	0	0.56225 Hartree
88	AG	0	0.56577 Hartree
89	B1U	0	0.58785 Hartree
90	AG	0	0.59015 Hartree
91	B2G	0	0.59402 Hartree
92	B1G	0	0.59551 Hartree
93	AU	0	0.59580 Hartree
94	B2U	0	0.61279 Hartree
95	AG	0	0.61512 Hartree
96	B1U	0	0.61527 Hartree
97	B3G	0	0.61648 Hartree
98	B2U	0	0.62757 Hartree
99	B3U	0	0.64062 Hartree
100	B1G	0	0.66080 Hartree
101	AU	0	0.66171 Hartree
102	B2G	0	0.67580 Hartree
103	B3G	0	0.69270 Hartree
104	B3U	0	0.71554 Hartree
105	B2U	0	0.75208 Hartree
106	B2G	0	0.76942 Hartree
107	B1U	0	0.77668 Hartree
108	AG	0	0.78559 Hartree
109	B3U	0	0.78565 Hartree
110	B1U	0	0.83178 Hartree
111	AG	0	0.83314 Hartree
112	B2U	0	0.83362 Hartree
113	B3G	0	0.84000 Hartree
114	B2G	0	0.84984 Hartree
115	B2U	0	0.86044 Hartree
116	B3G	0	0.86884 Hartree
117	AG	0	0.87264 Hartree
118	B1U	0	0.89506 Hartree
119	AG	0	0.90540 Hartree
120	B1U	0	0.90985 Hartree
121	AG	0	0.91493 Hartree
122	B3G	0	0.93869 Hartree
123	B2U	0	0.94750 Hartree
124	B2U	0	0.99443 Hartree
125	B3G	0	0.99920 Hartree
126	B1U	0	1.00246 Hartree
127	B3G	0	1.06300 Hartree
128	AG	0	1.06807 Hartree
129	B1U	0	1.09943 Hartree
130	B2U	0	1.12239 Hartree
131	AG	0	1.13973 Hartree
132	B1U	0	1.16368 Hartree
133	B1U	0	1.18311 Hartree
134	B2U	0	1.18445 Hartree
135	AG	0	1.19149 Hartree
136	B3G	0	1.21717 Hartree
137	B1U	0	1.24578 Hartree
138	B1G	0	1.24747 Hartree
139	AU	0	1.24928 Hartree
140	B3U	0	1.26873 Hartree
141	B3G	0	1.27163 Hartree
142	AG	0	1.33419 Hartree
143	B1U	0	1.41273 Hartree
144	B3U	0	1.42727 Hartree
145	B2G	0	1.43329 Hartree
146	AG	0	1.43627 Hartree
147	B2U	0	1.44111 Hartree
148	B1G	0	1.45916 Hartree
149	B3G	0	1.46622 Hartree
150	AU	0	1.47244 Hartree
151	B2G	0	1.48667 Hartree
152	B3U	0	1.48891 Hartree
153	B1G	0	1.50709 Hartree
154	AU	0	1.50784 Hartree
155	B1G	0	1.57008 Hartree
156	B2G	0	1.58100 Hartree
157	AG	0	1.60300 Hartree
158	B1U	0	1.67052 Hartree
159	B2U	0	1.76547 Hartree
160	AG	0	1.81447 Hartree
161	B2U	0	1.81680 Hartree
162	B3G	0	1.82258 Hartree
163	B1U	0	1.84311 Hartree
164	B3U	0	1.85124 Hartree
165	AG	0	1.89397 Hartree
166	B1U	0	1.89858 Hartree
167	AU	0	1.92092 Hartree
168	AG	0	1.92230 Hartree
169	B1U	0	1.94276 Hartree
170	B2U	0	1.96989 Hartree
171	B3G	0	1.97151 Hartree
172	B1U	0	1.99162 Hartree
173	B3G	0	2.03149 Hartree
174	AG	0	2.04953 Hartree
175	B2G	0	2.07402 Hartree
176	B1U	0	2.07886 Hartree
177	B2U	0	2.09679 Hartree
178	AG	0	2.13770 Hartree
179	B1G	0	2.14262 Hartree
180	AU	0	2.14533 Hartree
181	B3G	0	2.15553 Hartree
182	B1U	0	2.16063 Hartree
183	AG	0	2.17952 Hartree
184	B2U	0	2.18821 Hartree
185	B3U	0	2.20621 Hartree
186	B2G	0	2.27388 Hartree
187	B1G	0	2.29331 Hartree
188	AU	0	2.30742 Hartree
189	B3U	0	2.30750 Hartree
190	B2G	0	2.30767 Hartree
191	B3U	0	2.38066 Hartree
192	B1U	0	2.39350 Hartree
193	B3G	0	2.44948 Hartree
194	AG	0	2.45899 Hartree
195	B1U	0	2.54497 Hartree
196	B2U	0	2.57746 Hartree
197	AG	0	2.57833 Hartree
198	B3G	0	2.59432 Hartree
199	B1G	0	2.64579 Hartree
200	AU	0	2.65052 Hartree
201	B1U	0	2.67916 Hartree
202	AG	0	2.72466 Hartree
203	AG	0	2.73014 Hartree
204	B1U	0	2.73456 Hartree
205	B2U	0	2.73828 Hartree
206	B3G	0	2.75423 Hartree
207	B2U	0	2.76665 Hartree
208	B1U	0	2.77675 Hartree
209	B3G	0	2.89916 Hartree
210	B2G	0	2.92897 Hartree
211	AG	0	2.94113 Hartree
212	B2U	0	3.04781 Hartree
213	B3G	0	3.28336 Hartree
214	B1U	0	3.34623 Hartree
215	AG	0	3.40989 Hartree
216	B1U	0	3.58469 Hartree
217	AG	0	4.06587 Hartree
218	B1U	0	4.08493 Hartree
219	AG	0	4.09393 Hartree
220	B2U	0	4.11174 Hartree
221	B3G	0	4.11413 Hartree
222	B1U	0	4.12631 Hartree
223	AG	0	4.23330 Hartree
224	B1U	0	4.30738 Hartree
225	B2U	0	4.32271 Hartree
226	B3G	0	4.32362 Hartree
227	AG	0	4.48138 Hartree
228	B1U	0	4.57996 Hartree
229	AG	0	4.75688 Hartree
230	B1U	0	4.98198 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom	Symbol	Charge
1	C	-0.11862
2	C	-0.19653
3	C	-0.23422
4	C	-0.22887
5	C	-0.23422
6	C	-0.19653
7	H	0.24349
8	H	0.23911
9	H	0.23744
10	H	0.23911
11	H	0.24349
12	C	0.00637
13	C	0.00637
14	C	-0.11862
15	C	-0.19653
16	C	-0.23422
17	C	-0.22887
18	C	-0.23422
19	C	-0.19653
20	H	0.24349
21	H	0.23911
22	H	0.23744
23	H	0.23911
24	H	0.24349

Natural Atomic Orbitals

Display Range		- / 230
Orbital	Description	Occupancy	Energy	Actions
1	C1 Cor(1S)	1.998946296	-10.060381303 Hartree
2	C1 Val(2S)	0.880297729	-0.123034659 Hartree
3	C1 Ryd(3S)	0.001120594	1.261161490 Hartree
4	C1 Ryd(4S)	0.000093842	3.862475138 Hartree
5	C1 Val(2p)	1.032264685	-0.101343287 Hartree
6	C1 Ryd(3p)	0.000526652	0.713407840 Hartree
7	C1 Val(2p)	1.113236340	-0.057059138 Hartree
8	C1 Ryd(3p)	0.002531266	1.027461337 Hartree
9	C1 Val(2p)	1.080632583	-0.042509000 Hartree
10	C1 Ryd(3p)	0.005799838	1.225565583 Hartree
11	C1 Ryd(3d)	0.000560562	1.918767268 Hartree
12	C1 Ryd(3d)	0.000598558	1.936397979 Hartree
13	C1 Ryd(3d)	0.000837756	2.504677959 Hartree
14	C1 Ryd(3d)	0.000410789	2.374086243 Hartree
15	C1 Ryd(3d)	0.000766990	2.614088353 Hartree
16	C2 Cor(1S)	1.999050921	-10.047219814 Hartree
17	C2 Val(2S)	0.956004590	-0.162109731 Hartree
18	C2 Ryd(3S)	0.000643077	1.203910726 Hartree
19	C2 Ryd(4S)	0.000046360	4.029416088 Hartree
20	C2 Val(2p)	0.986200628	-0.103097250 Hartree
21	C2 Ryd(3p)	0.000605523	0.623419429 Hartree
22	C2 Val(2p)	1.150208525	-0.046872029 Hartree
23	C2 Ryd(3p)	0.004841423	1.019540289 Hartree
24	C2 Val(2p)	1.092446107	-0.039906385 Hartree
25	C2 Ryd(3p)	0.003738000	0.848683773 Hartree
26	C2 Ryd(3d)	0.000336835	1.849856944 Hartree
27	C2 Ryd(3d)	0.000493695	1.907162216 Hartree
28	C2 Ryd(3d)	0.000851814	2.397669953 Hartree
29	C2 Ryd(3d)	0.000534465	2.320467531 Hartree
30	C2 Ryd(3d)	0.000525767	2.441902055 Hartree
31	C3 Cor(1S)	1.999093191	-10.046344314 Hartree
32	C3 Val(2S)	0.961792072	-0.170198937 Hartree
33	C3 Ryd(3S)	0.000557728	1.274734298 Hartree
34	C3 Ryd(4S)	0.000034572	3.935327679 Hartree
35	C3 Val(2p)	0.996106086	-0.102788896 Hartree
36	C3 Ryd(3p)	0.000544376	0.620980156 Hartree
37	C3 Val(2p)	1.166013611	-0.050824043 Hartree
38	C3 Ryd(3p)	0.005093239	1.025661886 Hartree
39	C3 Val(2p)	1.097538728	-0.039998150 Hartree
40	C3 Ryd(3p)	0.004651857	0.798420250 Hartree
41	C3 Ryd(3d)	0.000371607	1.832444363 Hartree
42	C3 Ryd(3d)	0.000501189	1.910289795 Hartree
43	C3 Ryd(3d)	0.000806042	2.379126339 Hartree
44	C3 Ryd(3d)	0.000569655	2.272379344 Hartree
45	C3 Ryd(3d)	0.000550761	2.417910034 Hartree
46	C4 Cor(1S)	1.999097490	-10.047400621 Hartree
47	C4 Val(2S)	0.963929204	-0.171910447 Hartree
48	C4 Ryd(3S)	0.000518943	1.258794786 Hartree
49	C4 Ryd(4S)	0.000031660	3.949161004 Hartree
50	C4 Val(2p)	0.993132599	-0.103026935 Hartree
51	C4 Ryd(3p)	0.000763119	0.621717255 Hartree
52	C4 Val(2p)	1.061734623	-0.035119440 Hartree
53	C4 Ryd(3p)	0.004383317	0.691405420 Hartree
54	C4 Val(2p)	1.197364340	-0.054781088 Hartree
55	C4 Ryd(3p)	0.005134698	1.123998865 Hartree
56	C4 Ryd(3d)	0.000514659	1.943262733 Hartree
57	C4 Ryd(3d)	0.000321195	1.796321601 Hartree
58	C4 Ryd(3d)	0.000621707	2.392003802 Hartree
59	C4 Ryd(3d)	0.000390442	2.399603726 Hartree
60	C4 Ryd(3d)	0.000927519	2.252499051 Hartree
61	C5 Cor(1S)	1.999093191	-10.046344314 Hartree
62	C5 Val(2S)	0.961792072	-0.170198937 Hartree
63	C5 Ryd(3S)	0.000557728	1.274734298 Hartree
64	C5 Ryd(4S)	0.000034572	3.935327679 Hartree
65	C5 Val(2p)	0.996106086	-0.102788896 Hartree
66	C5 Ryd(3p)	0.000544376	0.620980156 Hartree
67	C5 Val(2p)	1.166013611	-0.050824043 Hartree
68	C5 Ryd(3p)	0.005093239	1.025661886 Hartree
69	C5 Val(2p)	1.097538728	-0.039998150 Hartree
70	C5 Ryd(3p)	0.004651857	0.798420250 Hartree
71	C5 Ryd(3d)	0.000371607	1.832444363 Hartree
72	C5 Ryd(3d)	0.000501189	1.910289795 Hartree
73	C5 Ryd(3d)	0.000806042	2.379126339 Hartree
74	C5 Ryd(3d)	0.000569655	2.272379344 Hartree
75	C5 Ryd(3d)	0.000550761	2.417910034 Hartree
76	C6 Cor(1S)	1.999050921	-10.047219814 Hartree
77	C6 Val(2S)	0.956004590	-0.162109731 Hartree
78	C6 Ryd(3S)	0.000643077	1.203910726 Hartree
79	C6 Ryd(4S)	0.000046360	4.029416088 Hartree
80	C6 Val(2p)	0.986200628	-0.103097250 Hartree
81	C6 Ryd(3p)	0.000605523	0.623419429 Hartree
82	C6 Val(2p)	1.150208525	-0.046872029 Hartree
83	C6 Ryd(3p)	0.004841423	1.019540289 Hartree
84	C6 Val(2p)	1.092446107	-0.039906385 Hartree
85	C6 Ryd(3p)	0.003738000	0.848683773 Hartree
86	C6 Ryd(3d)	0.000336835	1.849856944 Hartree
87	C6 Ryd(3d)	0.000493695	1.907162216 Hartree
88	C6 Ryd(3d)	0.000851814	2.397669953 Hartree
89	C6 Ryd(3d)	0.000534465	2.320467531 Hartree
90	C6 Ryd(3d)	0.000525767	2.441902055 Hartree
91	H7 Val(1S)	0.755644431	0.097746418 Hartree
92	H7 Ryd(2S)	0.000865955	0.563871272 Hartree
93	H8 Val(1S)	0.760053963	0.094302329 Hartree
94	H8 Ryd(2S)	0.000840593	0.564702555 Hartree
95	H9 Val(1S)	0.761738500	0.093758724 Hartree
96	H9 Ryd(2S)	0.000825126	0.563588738 Hartree
97	H10 Val(1S)	0.760053963	0.094302329 Hartree
98	H10 Ryd(2S)	0.000840593	0.564702555 Hartree
99	H11 Val(1S)	0.755644431	0.097746418 Hartree
100	H11 Ryd(2S)	0.000865955	0.563871272 Hartree
101	C12 Cor(1S)	1.998625672	-10.027419703 Hartree
102	C12 Val(2S)	0.859476492	-0.060649381 Hartree
103	C12 Ryd(3S)	0.002513014	1.713601434 Hartree
104	C12 Ryd(4S)	0.000196686	2.925625264 Hartree
105	C12 Val(2p)	0.999281600	-0.064403311 Hartree
106	C12 Ryd(3p)	0.000781684	0.682879286 Hartree
107	C12 Val(2p)	0.997929498	-0.063452776 Hartree
108	C12 Ryd(3p)	0.004411392	0.796585588 Hartree
109	C12 Val(2p)	1.125285272	0.057081613 Hartree
110	C12 Ryd(3p)	0.002647338	1.806409070 Hartree
111	C12 Ryd(3d)	0.000014091	1.747841806 Hartree
112	C12 Ryd(3d)	0.000920716	2.158580713 Hartree
113	C12 Ryd(3d)	0.000841568	2.288824018 Hartree
114	C12 Ryd(3d)	0.000015265	1.787406800 Hartree
115	C12 Ryd(3d)	0.000691315	3.251266403 Hartree
116	C13 Cor(1S)	1.998625672	-10.027419703 Hartree
117	C13 Val(2S)	0.859476492	-0.060649381 Hartree
118	C13 Ryd(3S)	0.002513014	1.713601434 Hartree
119	C13 Ryd(4S)	0.000196686	2.925625264 Hartree
120	C13 Val(2p)	0.999281600	-0.064403311 Hartree
121	C13 Ryd(3p)	0.000781684	0.682879286 Hartree
122	C13 Val(2p)	0.997929498	-0.063452776 Hartree
123	C13 Ryd(3p)	0.004411392	0.796585588 Hartree
124	C13 Val(2p)	1.125285272	0.057081613 Hartree
125	C13 Ryd(3p)	0.002647338	1.806409070 Hartree
126	C13 Ryd(3d)	0.000014091	1.747841806 Hartree
127	C13 Ryd(3d)	0.000920716	2.158580713 Hartree
128	C13 Ryd(3d)	0.000841568	2.288824018 Hartree
129	C13 Ryd(3d)	0.000015265	1.787406800 Hartree
130	C13 Ryd(3d)	0.000691315	3.251266403 Hartree
131	C14 Cor(1S)	1.998946296	-10.060381303 Hartree
132	C14 Val(2S)	0.880297729	-0.123034659 Hartree
133	C14 Ryd(3S)	0.001120594	1.261161490 Hartree
134	C14 Ryd(4S)	0.000093842	3.862475138 Hartree
135	C14 Val(2p)	1.032264685	-0.101343287 Hartree
136	C14 Ryd(3p)	0.000526652	0.713407840 Hartree
137	C14 Val(2p)	1.113236340	-0.057059138 Hartree
138	C14 Ryd(3p)	0.002531266	1.027461337 Hartree
139	C14 Val(2p)	1.080632583	-0.042509000 Hartree
140	C14 Ryd(3p)	0.005799838	1.225565583 Hartree
141	C14 Ryd(3d)	0.000560562	1.918767268 Hartree
142	C14 Ryd(3d)	0.000598558	1.936397979 Hartree
143	C14 Ryd(3d)	0.000837756	2.504677959 Hartree
144	C14 Ryd(3d)	0.000410789	2.374086243 Hartree
145	C14 Ryd(3d)	0.000766990	2.614088353 Hartree
146	C15 Cor(1S)	1.999050921	-10.047219814 Hartree
147	C15 Val(2S)	0.956004590	-0.162109731 Hartree
148	C15 Ryd(3S)	0.000643077	1.203910726 Hartree
149	C15 Ryd(4S)	0.000046360	4.029416088 Hartree
150	C15 Val(2p)	0.986200628	-0.103097250 Hartree
151	C15 Ryd(3p)	0.000605523	0.623419429 Hartree
152	C15 Val(2p)	1.150208525	-0.046872029 Hartree
153	C15 Ryd(3p)	0.004841423	1.019540289 Hartree
154	C15 Val(2p)	1.092446107	-0.039906385 Hartree
155	C15 Ryd(3p)	0.003738000	0.848683773 Hartree
156	C15 Ryd(3d)	0.000336835	1.849856944 Hartree
157	C15 Ryd(3d)	0.000493695	1.907162216 Hartree
158	C15 Ryd(3d)	0.000851814	2.397669953 Hartree
159	C15 Ryd(3d)	0.000534465	2.320467531 Hartree
160	C15 Ryd(3d)	0.000525767	2.441902055 Hartree
161	C16 Cor(1S)	1.999093191	-10.046344314 Hartree
162	C16 Val(2S)	0.961792072	-0.170198937 Hartree
163	C16 Ryd(3S)	0.000557728	1.274734298 Hartree
164	C16 Ryd(4S)	0.000034572	3.935327679 Hartree
165	C16 Val(2p)	0.996106086	-0.102788896 Hartree
166	C16 Ryd(3p)	0.000544376	0.620980156 Hartree
167	C16 Val(2p)	1.166013611	-0.050824043 Hartree
168	C16 Ryd(3p)	0.005093239	1.025661886 Hartree
169	C16 Val(2p)	1.097538728	-0.039998150 Hartree
170	C16 Ryd(3p)	0.004651857	0.798420250 Hartree
171	C16 Ryd(3d)	0.000371607	1.832444363 Hartree
172	C16 Ryd(3d)	0.000501189	1.910289795 Hartree
173	C16 Ryd(3d)	0.000806042	2.379126339 Hartree
174	C16 Ryd(3d)	0.000569655	2.272379344 Hartree
175	C16 Ryd(3d)	0.000550761	2.417910034 Hartree
176	C17 Cor(1S)	1.999097490	-10.047400621 Hartree
177	C17 Val(2S)	0.963929204	-0.171910447 Hartree
178	C17 Ryd(3S)	0.000518943	1.258794786 Hartree
179	C17 Ryd(4S)	0.000031660	3.949161004 Hartree
180	C17 Val(2p)	0.993132599	-0.103026935 Hartree
181	C17 Ryd(3p)	0.000763119	0.621717255 Hartree
182	C17 Val(2p)	1.061734623	-0.035119440 Hartree
183	C17 Ryd(3p)	0.004383317	0.691405420 Hartree
184	C17 Val(2p)	1.197364340	-0.054781088 Hartree
185	C17 Ryd(3p)	0.005134698	1.123998865 Hartree
186	C17 Ryd(3d)	0.000514659	1.943262733 Hartree
187	C17 Ryd(3d)	0.000321195	1.796321601 Hartree
188	C17 Ryd(3d)	0.000621707	2.392003802 Hartree
189	C17 Ryd(3d)	0.000390442	2.399603726 Hartree
190	C17 Ryd(3d)	0.000927519	2.252499051 Hartree
191	C18 Cor(1S)	1.999093191	-10.046344314 Hartree
192	C18 Val(2S)	0.961792072	-0.170198937 Hartree
193	C18 Ryd(3S)	0.000557728	1.274734298 Hartree
194	C18 Ryd(4S)	0.000034572	3.935327679 Hartree
195	C18 Val(2p)	0.996106086	-0.102788896 Hartree
196	C18 Ryd(3p)	0.000544376	0.620980156 Hartree
197	C18 Val(2p)	1.166013611	-0.050824043 Hartree
198	C18 Ryd(3p)	0.005093239	1.025661886 Hartree
199	C18 Val(2p)	1.097538728	-0.039998150 Hartree
200	C18 Ryd(3p)	0.004651857	0.798420250 Hartree
201	C18 Ryd(3d)	0.000371607	1.832444363 Hartree
202	C18 Ryd(3d)	0.000501189	1.910289795 Hartree
203	C18 Ryd(3d)	0.000806042	2.379126339 Hartree
204	C18 Ryd(3d)	0.000569655	2.272379344 Hartree
205	C18 Ryd(3d)	0.000550761	2.417910034 Hartree
206	C19 Cor(1S)	1.999050921	-10.047219814 Hartree
207	C19 Val(2S)	0.956004590	-0.162109731 Hartree
208	C19 Ryd(3S)	0.000643077	1.203910726 Hartree
209	C19 Ryd(4S)	0.000046360	4.029416088 Hartree
210	C19 Val(2p)	0.986200628	-0.103097250 Hartree
211	C19 Ryd(3p)	0.000605523	0.623419429 Hartree
212	C19 Val(2p)	1.150208525	-0.046872029 Hartree
213	C19 Ryd(3p)	0.004841423	1.019540289 Hartree
214	C19 Val(2p)	1.092446107	-0.039906385 Hartree
215	C19 Ryd(3p)	0.003738000	0.848683773 Hartree
216	C19 Ryd(3d)	0.000336835	1.849856944 Hartree
217	C19 Ryd(3d)	0.000493695	1.907162216 Hartree
218	C19 Ryd(3d)	0.000851814	2.397669953 Hartree
219	C19 Ryd(3d)	0.000534465	2.320467531 Hartree
220	C19 Ryd(3d)	0.000525767	2.441902055 Hartree
221	H20 Val(1S)	0.755644431	0.097746418 Hartree
222	H20 Ryd(2S)	0.000865955	0.563871272 Hartree
223	H21 Val(1S)	0.760053963	0.094302329 Hartree
224	H21 Ryd(2S)	0.000840593	0.564702555 Hartree
225	H22 Val(1S)	0.761738500	0.093758724 Hartree
226	H22 Ryd(2S)	0.000825126	0.563588738 Hartree
227	H23 Val(1S)	0.760053963	0.094302329 Hartree
228	H23 Ryd(2S)	0.000840593	0.564702555 Hartree
229	H24 Val(1S)	0.755644431	0.097746418 Hartree
230	H24 Ryd(2S)	0.000865955	0.563871272 Hartree

Natural Hybrid Orbitals

Display Range		- / 230
Orbital	Description	Occupancy	Energy	Actions
1	BD(1)C1(C2) 1s(34.36%)p1.91(65.61%)d0.00(0.03%)	1.030974657	-0.076008105 Hartree
2	BD(1)C2(C1) 2s(34.37%)p1.91(65.58%)d0.00(0.04%)	0.965166203	-0.041948825 Hartree
3	BD(2)C1(C2) 1s(0.00%)p1.00(99.98%)d0.00(0.02%)	1.032165424	-0.100928904 Hartree
4	BD(2)C2(C1) 2s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.986446504	-0.102766561 Hartree
5	BD(1)C1(C6) 1s(34.36%)p1.91(65.61%)d0.00(0.03%)	1.030974657	-0.076008105 Hartree
6	BD(1)C6(C1) 6s(34.37%)p1.91(65.58%)d0.00(0.04%)	0.965166203	-0.041948825 Hartree
7	BD(1)C1(C12) 1s(31.22%)p2.20(68.73%)d0.00(0.04%)	1.013758832	-0.063513909 Hartree
8	BD(1)C12(C1) 12s(47.99%)p1.08(51.98%)d0.00(0.03%)	0.985831774	-0.075343869 Hartree
9	BD(1)C2(C3) 2s(35.73%)p1.80(64.23%)d0.00(0.04%)	0.998988735	-0.051015734 Hartree
10	BD(1)C3(C2) 3s(35.24%)p1.84(64.71%)d0.00(0.04%)	0.995536775	-0.050444281 Hartree
11	BD(1)C2(H11) 2s(29.86%)p2.35(70.09%)d0.00(0.05%)	1.238065085	-0.138457600 Hartree
12	BD(1)H11(C2) 11s(100.00%)	0.755642970	0.098484603 Hartree
13	BD(1)C3(C4) 3s(35.16%)p1.84(64.80%)d0.00(0.04%)	0.999846809	-0.054454260 Hartree
14	BD(1)C4(C3) 4s(35.12%)p1.85(64.84%)d0.00(0.04%)	0.996881248	-0.052655227 Hartree
15	BD(2)C3(C4) 3s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.996503972	-0.103277876 Hartree
16	BD(2)C4(C3) 4s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.993570827	-0.103599822 Hartree
17	BD(1)C3(H10) 3s(29.56%)p2.38(70.39%)d0.00(0.05%)	1.234155087	-0.137700558 Hartree
18	BD(1)H10(C3) 10s(100.00%)	0.760052561	0.095031887 Hartree
19	BD(1)C4(C5) 4s(35.12%)p1.85(64.84%)d0.00(0.04%)	0.996881248	-0.052655227 Hartree
20	BD(1)C5(C4) 5s(35.16%)p1.84(64.80%)d0.00(0.04%)	0.999846809	-0.054454260 Hartree
21	BD(1)C4(H9) 4s(29.72%)p2.36(70.23%)d0.00(0.05%)	1.233453577	-0.137888179 Hartree
22	BD(1)H9(C4) 9s(100.00%)	0.761737087	0.094490394 Hartree
23	BD(1)C5(C6) 5s(35.24%)p1.84(64.71%)d0.00(0.04%)	0.995536775	-0.050444281 Hartree
24	BD(1)C6(C5) 6s(35.73%)p1.80(64.23%)d0.00(0.04%)	0.998988735	-0.051015734 Hartree
25	BD(2)C5(C6) 5s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.996516903	-0.103325538 Hartree
26	BD(2)C6(C5) 6s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.986501366	-0.103041809 Hartree
27	BD(1)C5(H8) 5s(29.56%)p2.38(70.39%)d0.00(0.05%)	1.234155087	-0.137700558 Hartree
28	BD(1)H8(C5) 8s(100.00%)	0.760052561	0.095031887 Hartree
29	BD(1)C6(H7) 6s(29.86%)p2.35(70.09%)d0.00(0.05%)	1.238065085	-0.138457600 Hartree
30	BD(1)H7(C6) 7s(100.00%)	0.755642970	0.098484603 Hartree
31	BD(1)C12(C13) 12s(51.93%)p0.92(48.03%)d0.00(0.04%)	1.000585379	0.077383750 Hartree
32	BD(1)C13(C12) 13s(51.93%)p0.92(48.03%)d0.00(0.04%)	1.000585379	0.077383750 Hartree
33	BD(2)C12(C13) 12s(0.00%)p1.00(99.94%)d0.00(0.06%)	0.998418166	-0.061718424 Hartree
34	BD(2)C13(C12) 13s(0.00%)p1.00(99.94%)d0.00(0.06%)	0.998418166	-0.061718424 Hartree
35	BD(3)C12(C13) 12s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.999712122	-0.060769208 Hartree
36	BD(3)C13(C12) 13s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.999712122	-0.060769208 Hartree
37	BD(1)C13(C14) 13s(47.99%)p1.08(51.98%)d0.00(0.03%)	0.985831774	-0.075343869 Hartree
38	BD(1)C14(C13) 14s(31.22%)p2.20(68.73%)d0.00(0.04%)	1.013758832	-0.063513909 Hartree
39	BD(1)C14(C15) 14s(34.36%)p1.91(65.61%)d0.00(0.03%)	1.030974657	-0.076008105 Hartree
40	BD(1)C15(C14) 15s(34.37%)p1.91(65.58%)d0.00(0.04%)	0.965166203	-0.041948825 Hartree
41	BD(2)C14(C15) 14s(0.00%)p1.00(99.98%)d0.00(0.02%)	1.032165424	-0.100928904 Hartree
42	BD(2)C15(C14) 15s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.986446504	-0.102766561 Hartree
43	BD(1)C14(C19) 14s(34.36%)p1.91(65.61%)d0.00(0.03%)	1.030974657	-0.076008105 Hartree
44	BD(1)C19(C14) 19s(34.37%)p1.91(65.58%)d0.00(0.04%)	0.965166203	-0.041948825 Hartree
45	BD(1)C15(C16) 15s(35.73%)p1.80(64.23%)d0.00(0.04%)	0.998988735	-0.051015734 Hartree
46	BD(1)C16(C15) 16s(35.24%)p1.84(64.71%)d0.00(0.04%)	0.995536775	-0.050444281 Hartree
47	BD(1)C15(H24) 15s(29.86%)p2.35(70.09%)d0.00(0.05%)	1.238065085	-0.138457600 Hartree
48	BD(1)H24(C15) 24s(100.00%)	0.755642970	0.098484603 Hartree
49	BD(1)C16(C17) 16s(35.16%)p1.84(64.80%)d0.00(0.04%)	0.999846809	-0.054454260 Hartree
50	BD(1)C17(C16) 17s(35.12%)p1.85(64.84%)d0.00(0.04%)	0.996881248	-0.052655227 Hartree
51	BD(2)C16(C17) 16s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.996503972	-0.103277876 Hartree
52	BD(2)C17(C16) 17s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.993570827	-0.103599822 Hartree
53	BD(1)C16(H23) 16s(29.56%)p2.38(70.39%)d0.00(0.05%)	1.234155087	-0.137700558 Hartree
54	BD(1)H23(C16) 23s(100.00%)	0.760052561	0.095031887 Hartree
55	BD(1)C17(C18) 17s(35.12%)p1.85(64.84%)d0.00(0.04%)	0.996881248	-0.052655227 Hartree
56	BD(1)C18(C17) 18s(35.16%)p1.84(64.80%)d0.00(0.04%)	0.999846809	-0.054454260 Hartree
57	BD(1)C17(H22) 17s(29.72%)p2.36(70.23%)d0.00(0.05%)	1.233453577	-0.137888179 Hartree
58	BD(1)H22(C17) 22s(100.00%)	0.761737087	0.094490394 Hartree
59	BD(1)C18(C19) 18s(35.24%)p1.84(64.71%)d0.00(0.04%)	0.995536775	-0.050444281 Hartree
60	BD(1)C19(C18) 19s(35.73%)p1.80(64.23%)d0.00(0.04%)	0.998988735	-0.051015734 Hartree
61	BD(2)C18(C19) 18s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.996516903	-0.103325538 Hartree
62	BD(2)C19(C18) 19s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.986501366	-0.103041809 Hartree
63	BD(1)C18(H21) 18s(29.56%)p2.38(70.39%)d0.00(0.05%)	1.234155087	-0.137700558 Hartree
64	BD(1)H21(C18) 21s(100.00%)	0.760052561	0.095031887 Hartree
65	BD(1)C19(H20) 19s(29.86%)p2.35(70.09%)d0.00(0.05%)	1.238065085	-0.138457600 Hartree
66	BD(1)H20(C19) 20s(100.00%)	0.755642970	0.098484603 Hartree
67	CR(1)C1 s(100.00%)	1.998945473	-10.060958818 Hartree
68	CR(1)C2 s(100.00%)p0.00(0.00%)	1.999054464	-10.047469280 Hartree
69	CR(1)C3 s(100.00%)p0.00(0.00%)	1.999096699	-10.046700545 Hartree
70	CR(1)C4 s(100.00%)p0.00(0.00%)	1.999100629	-10.047772291 Hartree
71	CR(1)C5 s(100.00%)p0.00(0.00%)	1.999096699	-10.046700545 Hartree
72	CR(1)C6 s(100.00%)p0.00(0.00%)	1.999054464	-10.047469280 Hartree
73	CR(1)C12 s(100.00%)	1.998627864	-10.028064408 Hartree
74	CR(1)C13 s(100.00%)	1.998627864	-10.028064408 Hartree
75	CR(1)C14 s(100.00%)	1.998945473	-10.060958818 Hartree
76	CR(1)C15 s(100.00%)p0.00(0.00%)	1.999054464	-10.047469280 Hartree
77	CR(1)C16 s(100.00%)p0.00(0.00%)	1.999096699	-10.046700545 Hartree
78	CR(1)C17 s(100.00%)p0.00(0.00%)	1.999100629	-10.047772291 Hartree
79	CR(1)C18 s(100.00%)p0.00(0.00%)	1.999096699	-10.046700545 Hartree
80	CR(1)C19 s(100.00%)p0.00(0.00%)	1.999054464	-10.047469280 Hartree
81	RY*(1)C1 s(0.21%)p99.99(94.18%)d27.02(5.61%)	0.005760331	1.365868815 Hartree
82	RY*(2)C1 s(0.00%)p1.00(93.47%)d0.07(6.53%)	0.002495200	1.158443315 Hartree
83	RY*(3)C1 s(99.63%)p0.00(0.09%)d0.00(0.28%)	0.001127181	1.304017722 Hartree
84	RY*(4)C1 s(0.00%)p1.00(41.64%)d1.40(58.36%)	0.000851117	1.411835144 Hartree
85	RY*(5)C1 s(0.00%)p1.00(2.96%)d32.74(97.04%)	0.000658077	1.882473937 Hartree
86	RY*(6)C1 s(0.00%)p1.00(6.56%)d14.25(93.44%)	0.000464089	2.368385076 Hartree
87	RY*(7)C1 s(0.00%)p1.00(55.41%)d0.80(44.59%)	0.000275838	1.273849623 Hartree
88	RY*(8)C1 s(60.60%)p0.02(1.11%)d0.63(38.30%)	0.000101723	3.240874427 Hartree
89	RY*(9)C1 s(31.85%)p0.15(4.63%)d1.99(63.51%)	0.000053646	2.937089629 Hartree
90	RY*(10)C1 s(7.77%)p0.00(0.01%)d11.87(92.22%)	0.000018234	2.488341957 Hartree
91	RY*(1)C2 s(0.03%)p99.99(93.26%)d99.99(6.71%)	0.004658281	1.278731977 Hartree
92	RY*(2)C2 s(0.03%)p99.99(98.03%)d71.77(1.94%)	0.002422574	0.747613549 Hartree
93	RY*(3)C2 s(0.00%)p1.00(32.83%)d2.05(67.17%)	0.000714165	1.505520681 Hartree
94	RY*(4)C2 s(0.00%)p1.00(61.79%)d0.62(38.21%)	0.000460489	1.106804280 Hartree
95	RY*(5)C2 s(90.39%)p0.00(0.41%)d0.10(9.19%)	0.000368910	1.196666046 Hartree
96	RY*(6)C2 s(4.86%)p0.39(1.92%)d19.18(93.22%)	0.000090518	2.346549505 Hartree
97	RY*(7)C2 s(65.79%)p0.00(0.14%)d0.52(34.07%)	0.000044215	3.632057072 Hartree
98	RY*(8)C2 s(6.04%)p1.01(6.07%)d14.56(87.89%)	0.000022418	2.180367434 Hartree
99	RY*(9)C2 s(0.00%)p1.00(5.42%)d17.45(94.58%)	0.000015523	1.767782940 Hartree
100	RY*(10)C2 s(32.89%)p0.01(0.27%)d2.03(66.84%)	0.000009647	2.862388309 Hartree
101	RY*(1)C3 s(0.29%)p99.99(92.37%)d25.30(7.34%)	0.004826133	1.273834782 Hartree
102	RY*(2)C3 s(0.07%)p99.99(98.45%)d21.30(1.48%)	0.002838318	0.711162651 Hartree
103	RY*(3)C3 s(0.00%)p1.00(1.87%)d52.40(98.13%)	0.000652698	1.921283053 Hartree
104	RY*(4)C3 s(0.00%)p1.00(86.65%)d0.15(13.35%)	0.000364947	0.754205685 Hartree
105	RY*(5)C3 s(97.01%)p0.00(0.11%)d0.03(2.87%)	0.000231733	1.140945990 Hartree
106	RY*(6)C3 s(0.12%)p12.26(1.51%)d99.99(98.36%)	0.000100773	2.364826857 Hartree
107	RY*(7)C3 s(56.04%)p0.01(0.35%)d0.78(43.61%)	0.000046579	3.458778346 Hartree
108	RY*(8)C3 s(5.61%)p1.30(7.30%)d15.51(87.09%)	0.000014186	2.144797057 Hartree
109	RY*(9)C3 s(0.00%)p1.00(11.52%)d7.68(88.48%)	0.000001642	1.688714557 Hartree
110	RY*(10)C3 s(40.88%)p0.00(0.00%)d1.45(59.12%)	0.000008365	2.991148345 Hartree
111	RY*(1)C4 s(0.40%)p99.99(91.84%)d19.30(7.76%)	0.004754633	1.276486754 Hartree
112	RY*(2)C4 s(0.00%)p1.00(98.50%)d0.02(1.50%)	0.002690947	0.707699626 Hartree
113	RY*(3)C4 s(0.00%)p1.00(16.98%)d4.89(83.02%)	0.000624787	1.711183624 Hartree
114	RY*(4)C4 s(0.00%)p1.00(74.07%)d0.35(25.93%)	0.000535181	0.933941320 Hartree
115	RY*(5)C4 s(96.54%)p0.00(0.06%)d0.04(3.40%)	0.000202653	1.127012439 Hartree
116	RY*(6)C4 s(0.00%)p1.00(1.54%)d63.82(98.46%)	0.000103779	2.361294668 Hartree
117	RY*(7)C4 s(53.96%)p0.00(0.21%)d0.85(45.83%)	0.000046820	3.422863016 Hartree
118	RY*(8)C4 s(2.31%)p3.01(6.95%)d39.33(90.74%)	0.000012847	2.127054647 Hartree
119	RY*(9)C4 s(46.83%)p0.02(0.99%)d1.11(52.17%)	0.000005562	3.026814833 Hartree
120	RY*(10)C4 s(0.00%)p1.00(8.98%)d10.13(91.02%)	0.000000778	1.716749532 Hartree
121	RY*(1)C5 s(0.29%)p99.99(92.37%)d25.30(7.34%)	0.004826133	1.273834782 Hartree
122	RY*(2)C5 s(0.07%)p99.99(98.45%)d21.30(1.48%)	0.002838318	0.711162651 Hartree
123	RY*(3)C5 s(0.00%)p1.00(0.11%)d99.99(99.89%)	0.000637016	1.945795117 Hartree
124	RY*(4)C5 s(0.00%)p1.00(88.46%)d0.13(11.54%)	0.000367698	0.729301836 Hartree
125	RY*(5)C5 s(97.01%)p0.00(0.11%)d0.03(2.87%)	0.000231733	1.140945990 Hartree
126	RY*(6)C5 s(0.12%)p12.26(1.51%)d99.99(98.36%)	0.000100773	2.364826857 Hartree
127	RY*(7)C5 s(56.04%)p0.01(0.35%)d0.78(43.61%)	0.000046579	3.458778346 Hartree
128	RY*(8)C5 s(5.61%)p1.30(7.30%)d15.51(87.09%)	0.000014186	2.144797057 Hartree
129	RY*(9)C5 s(0.00%)p1.00(11.48%)d7.71(88.52%)	0.000001641	1.689154004 Hartree
130	RY*(10)C5 s(40.88%)p0.00(0.00%)d1.45(59.12%)	0.000008365	2.991148346 Hartree
131	RY*(1)C6 s(0.03%)p99.99(93.26%)d99.99(6.71%)	0.004658281	1.278731977 Hartree
132	RY*(2)C6 s(0.03%)p99.99(98.03%)d71.77(1.94%)	0.002422574	0.747613549 Hartree
133	RY*(3)C6 s(0.00%)p1.00(14.23%)d6.03(85.77%)	0.000614011	1.757343775 Hartree
134	RY*(4)C6 s(0.00%)p1.00(80.39%)d0.24(19.61%)	0.000505780	0.855313043 Hartree
135	RY*(5)C6 s(90.39%)p0.00(0.41%)d0.10(9.19%)	0.000368910	1.196666046 Hartree
136	RY*(6)C6 s(4.86%)p0.39(1.92%)d19.18(93.22%)	0.000090518	2.346549505 Hartree
137	RY*(7)C6 s(65.79%)p0.00(0.14%)d0.52(34.07%)	0.000044215	3.632057072 Hartree
138	RY*(8)C6 s(10.39%)p0.55(5.71%)d8.08(83.91%)	0.000019204	2.263620794 Hartree
139	RY*(9)C6 s(0.00%)p1.00(5.42%)d17.44(94.58%)	0.000015523	1.767726330 Hartree
140	RY*(10)C6 s(28.54%)p0.02(0.63%)d2.48(70.83%)	0.000012860	2.779134949 Hartree
141	RY*(1)H7 s(100.00%)	0.000867417	0.563133088 Hartree
142	RY*(1)H8 s(100.00%)	0.000841995	0.563972996 Hartree
143	RY*(1)H9 s(100.00%)	0.000826539	0.562857069 Hartree
144	RY*(1)H10 s(100.00%)	0.000841995	0.563972996 Hartree
145	RY*(1)H11 s(100.00%)	0.000867417	0.563133088 Hartree
146	RY*(1)C12 s(0.00%)p1.00(93.06%)d0.07(6.94%)	0.004755063	0.900667418 Hartree
147	RY*(2)C12 s(54.22%)p0.84(45.56%)d0.00(0.22%)	0.003574978	2.020818911 Hartree
148	RY*(3)C12 s(0.00%)p1.00(40.85%)d1.45(59.15%)	0.000935406	1.558564680 Hartree
149	RY*(4)C12 s(44.51%)p1.21(53.89%)d0.04(1.60%)	0.000687711	1.417195682 Hartree
150	RY*(5)C12 s(0.00%)p1.00(59.19%)d0.69(40.81%)	0.000336472	1.279261216 Hartree
151	RY*(6)C12 s(99.17%)p0.00(0.10%)d0.01(0.74%)	0.000119404	3.086368906 Hartree
152	RY*(7)C12 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000014091	1.747841806 Hartree
153	RY*(8)C12 s(0.00%)p1.00(7.00%)d13.28(93.00%)	0.000009230	2.183007836 Hartree
154	RY*(9)C12 s(1.06%)p0.12(0.13%)d93.14(98.81%)	0.000017449	3.166614650 Hartree
155	RY*(10)C12 s(1.12%)p0.29(0.32%)d88.01(98.56%)	0.000006496	1.788347879 Hartree
156	RY*(1)C13 s(0.00%)p1.00(93.06%)d0.07(6.94%)	0.004755063	0.900667418 Hartree
157	RY*(2)C13 s(54.22%)p0.84(45.56%)d0.00(0.22%)	0.003574978	2.020818911 Hartree
158	RY*(3)C13 s(0.00%)p1.00(40.85%)d1.45(59.15%)	0.000935406	1.558564680 Hartree
159	RY*(4)C13 s(44.51%)p1.21(53.89%)d0.04(1.60%)	0.000687711	1.417195682 Hartree
160	RY*(5)C13 s(0.00%)p1.00(59.19%)d0.69(40.81%)	0.000336472	1.279261216 Hartree
161	RY*(6)C13 s(99.17%)p0.00(0.10%)d0.01(0.74%)	0.000119404	3.086368906 Hartree
162	RY*(7)C13 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000014091	1.747841806 Hartree
163	RY*(8)C13 s(0.00%)p1.00(7.00%)d13.28(93.00%)	0.000009230	2.183007836 Hartree
164	RY*(9)C13 s(1.06%)p0.12(0.13%)d93.14(98.81%)	0.000017449	3.166614649 Hartree
165	RY*(10)C13 s(1.12%)p0.29(0.32%)d88.01(98.56%)	0.000006496	1.788347879 Hartree
166	RY*(1)C14 s(0.21%)p99.99(94.18%)d27.02(5.61%)	0.005760331	1.365868815 Hartree
167	RY*(2)C14 s(0.00%)p1.00(93.47%)d0.07(6.53%)	0.002495200	1.158443315 Hartree
168	RY*(3)C14 s(99.63%)p0.00(0.09%)d0.00(0.28%)	0.001127181	1.304017722 Hartree
169	RY*(4)C14 s(0.00%)p1.00(41.64%)d1.40(58.36%)	0.000851117	1.411835144 Hartree
170	RY*(5)C14 s(0.00%)p1.00(2.96%)d32.74(97.04%)	0.000658077	1.882473937 Hartree
171	RY*(6)C14 s(0.00%)p1.00(6.56%)d14.25(93.44%)	0.000464089	2.368385076 Hartree
172	RY*(7)C14 s(0.00%)p1.00(55.41%)d0.80(44.59%)	0.000275838	1.273849623 Hartree
173	RY*(8)C14 s(60.60%)p0.02(1.11%)d0.63(38.30%)	0.000101723	3.240874423 Hartree
174	RY*(9)C14 s(31.85%)p0.15(4.63%)d1.99(63.51%)	0.000053646	2.937089632 Hartree
175	RY*(10)C14 s(7.77%)p0.00(0.01%)d11.87(92.22%)	0.000018234	2.488341959 Hartree
176	RY*(1)C15 s(0.03%)p99.99(93.26%)d99.99(6.71%)	0.004658281	1.278731977 Hartree
177	RY*(2)C15 s(0.03%)p99.99(98.03%)d71.77(1.94%)	0.002422574	0.747613549 Hartree
178	RY*(3)C15 s(0.00%)p1.00(32.83%)d2.05(67.17%)	0.000714165	1.505520681 Hartree
179	RY*(4)C15 s(0.00%)p1.00(61.79%)d0.62(38.21%)	0.000460489	1.106804280 Hartree
180	RY*(5)C15 s(90.39%)p0.00(0.41%)d0.10(9.19%)	0.000368910	1.196666046 Hartree
181	RY*(6)C15 s(4.86%)p0.39(1.92%)d19.18(93.22%)	0.000090518	2.346549505 Hartree
182	RY*(7)C15 s(65.79%)p0.00(0.14%)d0.52(34.07%)	0.000044215	3.632057073 Hartree
183	RY*(8)C15 s(6.04%)p1.01(6.07%)d14.56(87.89%)	0.000022418	2.180367434 Hartree
184	RY*(9)C15 s(0.00%)p1.00(5.42%)d17.45(94.58%)	0.000015523	1.767782940 Hartree
185	RY*(10)C15 s(32.89%)p0.01(0.27%)d2.03(66.84%)	0.000009647	2.862388308 Hartree
186	RY*(1)C16 s(0.29%)p99.99(92.37%)d25.30(7.34%)	0.004826133	1.273834782 Hartree
187	RY*(2)C16 s(0.07%)p99.99(98.45%)d21.30(1.48%)	0.002838318	0.711162651 Hartree
188	RY*(3)C16 s(0.00%)p1.00(1.87%)d52.40(98.13%)	0.000652698	1.921283053 Hartree
189	RY*(4)C16 s(0.00%)p1.00(86.65%)d0.15(13.35%)	0.000364947	0.754205685 Hartree
190	RY*(5)C16 s(97.01%)p0.00(0.11%)d0.03(2.87%)	0.000231733	1.140945990 Hartree
191	RY*(6)C16 s(0.12%)p12.26(1.51%)d99.99(98.36%)	0.000100773	2.364826857 Hartree
192	RY*(7)C16 s(56.04%)p0.01(0.35%)d0.78(43.61%)	0.000046579	3.458778347 Hartree
193	RY*(8)C16 s(5.61%)p1.30(7.30%)d15.51(87.09%)	0.000014186	2.144797057 Hartree
194	RY*(9)C16 s(0.00%)p1.00(11.52%)d7.68(88.48%)	0.000001642	1.688714557 Hartree
195	RY*(10)C16 s(40.88%)p0.00(0.00%)d1.45(59.12%)	0.000008365	2.991148345 Hartree
196	RY*(1)C17 s(0.40%)p99.99(91.84%)d19.30(7.76%)	0.004754633	1.276486754 Hartree
197	RY*(2)C17 s(0.00%)p1.00(98.50%)d0.02(1.50%)	0.002690947	0.707699626 Hartree
198	RY*(3)C17 s(0.00%)p1.00(16.98%)d4.89(83.02%)	0.000624787	1.711183624 Hartree
199	RY*(4)C17 s(0.00%)p1.00(74.07%)d0.35(25.93%)	0.000535181	0.933941319 Hartree
200	RY*(5)C17 s(96.54%)p0.00(0.06%)d0.04(3.40%)	0.000202653	1.127012439 Hartree
201	RY*(6)C17 s(0.00%)p1.00(1.54%)d63.82(98.46%)	0.000103779	2.361294668 Hartree
202	RY*(7)C17 s(53.96%)p0.00(0.21%)d0.85(45.83%)	0.000046820	3.422863016 Hartree
203	RY*(8)C17 s(2.31%)p3.01(6.95%)d39.33(90.74%)	0.000012847	2.127054648 Hartree
204	RY*(9)C17 s(46.83%)p0.02(0.99%)d1.11(52.17%)	0.000005562	3.026814833 Hartree
205	RY*(10)C17 s(0.00%)p1.00(8.98%)d10.13(91.02%)	0.000000778	1.716749532 Hartree
206	RY*(1)C18 s(0.29%)p99.99(92.37%)d25.30(7.34%)	0.004826133	1.273834782 Hartree
207	RY*(2)C18 s(0.07%)p99.99(98.45%)d21.30(1.48%)	0.002838318	0.711162651 Hartree
208	RY*(3)C18 s(0.00%)p1.00(0.11%)d99.99(99.89%)	0.000637016	1.945795117 Hartree
209	RY*(4)C18 s(0.00%)p1.00(88.46%)d0.13(11.54%)	0.000367698	0.729301836 Hartree
210	RY*(5)C18 s(97.01%)p0.00(0.11%)d0.03(2.87%)	0.000231733	1.140945990 Hartree
211	RY*(6)C18 s(0.12%)p12.26(1.51%)d99.99(98.36%)	0.000100773	2.364826857 Hartree
212	RY*(7)C18 s(56.04%)p0.01(0.35%)d0.78(43.61%)	0.000046579	3.458778345 Hartree
213	RY*(8)C18 s(5.61%)p1.30(7.30%)d15.51(87.09%)	0.000014186	2.144797056 Hartree
214	RY*(9)C18 s(0.00%)p1.00(11.48%)d7.71(88.52%)	0.000001641	1.689154004 Hartree
215	RY*(10)C18 s(40.88%)p0.00(0.00%)d1.45(59.12%)	0.000008365	2.991148347 Hartree
216	RY*(1)C19 s(0.03%)p99.99(93.26%)d99.99(6.71%)	0.004658281	1.278731977 Hartree
217	RY*(2)C19 s(0.03%)p99.99(98.03%)d71.77(1.94%)	0.002422574	0.747613549 Hartree
218	RY*(3)C19 s(0.00%)p1.00(14.23%)d6.03(85.77%)	0.000614011	1.757343775 Hartree
219	RY*(4)C19 s(0.00%)p1.00(80.39%)d0.24(19.61%)	0.000505780	0.855313043 Hartree
220	RY*(5)C19 s(90.39%)p0.00(0.41%)d0.10(9.19%)	0.000368910	1.196666046 Hartree
221	RY*(6)C19 s(4.86%)p0.39(1.92%)d19.18(93.22%)	0.000090518	2.346549505 Hartree
222	RY*(7)C19 s(65.79%)p0.00(0.14%)d0.52(34.07%)	0.000044215	3.632057072 Hartree
223	RY*(8)C19 s(10.39%)p0.55(5.71%)d8.08(83.91%)	0.000019204	2.263620794 Hartree
224	RY*(9)C19 s(0.00%)p1.00(5.42%)d17.44(94.58%)	0.000015523	1.767726330 Hartree
225	RY*(10)C19 s(28.54%)p0.02(0.63%)d2.48(70.83%)	0.000012860	2.779134948 Hartree
226	RY*(1)H20 s(100.00%)	0.000867417	0.563133088 Hartree
227	RY*(1)H21 s(100.00%)	0.000841995	0.563972996 Hartree
228	RY*(1)H22 s(100.00%)	0.000826539	0.562857069 Hartree
229	RY*(1)H23 s(100.00%)	0.000841995	0.563972996 Hartree
230	RY*(1)H24 s(100.00%)	0.000867417	0.563133088 Hartree

Natural Bond Orbitals

Display Range		- / 230
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	BD(1)C1-C2	1978, 1979	1.970209839	-0.681209989 Hartree
2	BD(2)C1-C2	1980, 1981	1.627344840	-0.240393402 Hartree
3	BD(1)C1-C6	1982, 1983	1.970209840	-0.681209989 Hartree
4	BD(1)C1-C12	1984, 1985	1.974773321	-0.694536064 Hartree
5	BD(1)C2-C3	1986, 1987	1.980114238	-0.691058200 Hartree
6	BD(1)C2-H11	1988, 1989	1.982386060	-0.517585523 Hartree
7	BD(1)C3-C4	1990, 1991	1.981010667	-0.687846974 Hartree
8	BD(2)C3-C4	1992, 1993	1.651818589	-0.243527481 Hartree
9	BD(1)C3-H10	1994, 1995	1.982094361	-0.518536720 Hartree
10	BD(1)C4-C5	1996, 1997	1.981010667	-0.687846974 Hartree
11	BD(1)C4-H9	1998, 1999	1.983137928	-0.519557392 Hartree
12	BD(1)C5-C6	2000, 2001	1.980114239	-0.691058201 Hartree
13	BD(2)C5-C6	2002, 2003	1.672048720	-0.245108251 Hartree
14	BD(1)C5-H8	2004, 2005	1.982094361	-0.518536720 Hartree
15	BD(1)C6-H7	2006, 2007	1.982386059	-0.517585522 Hartree
16	BD(1)C12-C13	2008, 2009	1.978669613	-0.834623130 Hartree
17	BD(2)C12-C13	2010, 2011	1.967528105	-0.268942489 Hartree
18	BD(3)C12-C13	2012, 2013	1.868769397	-0.264575837 Hartree
19	BD(1)C13-C14	2014, 2015	1.974773321	-0.694536064 Hartree
20	BD(1)C14-C15	2016, 2017	1.970209839	-0.681209989 Hartree
21	BD(2)C14-C15	2018, 2019	1.627344840	-0.240393402 Hartree
22	BD(1)C14-C19	2020, 2021	1.970209840	-0.681209989 Hartree
23	BD(1)C15-C16	2022, 2023	1.980114238	-0.691058200 Hartree
24	BD(1)C15-H24	2024, 2025	1.982386060	-0.517585523 Hartree
25	BD(1)C16-C17	2026, 2027	1.981010667	-0.687846974 Hartree
26	BD(2)C16-C17	2028, 2029	1.651818589	-0.243527481 Hartree
27	BD(1)C16-H23	2030, 2031	1.982094361	-0.518536720 Hartree
28	BD(1)C17-C18	2032, 2033	1.981010667	-0.687846974 Hartree
29	BD(1)C17-H22	2034, 2035	1.983137928	-0.519557392 Hartree
30	BD(1)C18-C19	2036, 2037	1.980114239	-0.691058201 Hartree
31	BD(2)C18-C19	2038, 2039	1.672048720	-0.245108251 Hartree
32	BD(1)C18-H21	2040, 2041	1.982094361	-0.518536720 Hartree
33	BD(1)C19-H20	2042, 2043	1.982386059	-0.517585522 Hartree
34	CR(1)C1	2044	1.998945473	-10.060958818 Hartree
35	CR(1)C2	2045	1.999054464	-10.047469280 Hartree
36	CR(1)C3	2046	1.999096699	-10.046700545 Hartree
37	CR(1)C4	2047	1.999100629	-10.047772291 Hartree
38	CR(1)C5	2048	1.999096699	-10.046700545 Hartree
39	CR(1)C6	2049	1.999054464	-10.047469280 Hartree
40	CR(1)C12	2050	1.998627864	-10.028064408 Hartree
41	CR(1)C13	2051	1.998627864	-10.028064408 Hartree
42	CR(1)C14	2052	1.998945473	-10.060958818 Hartree
43	CR(1)C15	2053	1.999054464	-10.047469280 Hartree
44	CR(1)C16	2054	1.999096699	-10.046700545 Hartree
45	CR(1)C17	2055	1.999100629	-10.047772291 Hartree
46	CR(1)C18	2056	1.999096699	-10.046700545 Hartree
47	CR(1)C19	2057	1.999054464	-10.047469280 Hartree
48	RY*(1)C1	2058	0.005760331	1.365868815 Hartree
49	RY*(2)C1	2059	0.002495200	1.158443315 Hartree
50	RY*(3)C1	2060	0.001127181	1.304017722 Hartree
51	RY*(4)C1	2061	0.000851117	1.411835144 Hartree
52	RY*(5)C1	2062	0.000658077	1.882473937 Hartree
53	RY*(6)C1	2063	0.000464089	2.368385076 Hartree
54	RY*(7)C1	2064	0.000275838	1.273849623 Hartree
55	RY*(8)C1	2065	0.000101723	3.240874427 Hartree
56	RY*(9)C1	2066	0.000053646	2.937089629 Hartree
57	RY*(10)C1	2067	0.000018234	2.488341957 Hartree
58	RY*(1)C2	2068	0.004658281	1.278731977 Hartree
59	RY*(2)C2	2069	0.002422574	0.747613549 Hartree
60	RY*(3)C2	2070	0.000714165	1.505520681 Hartree
61	RY*(4)C2	2071	0.000460489	1.106804280 Hartree
62	RY*(5)C2	2072	0.000368910	1.196666046 Hartree
63	RY*(6)C2	2073	0.000090518	2.346549505 Hartree
64	RY*(7)C2	2074	0.000044215	3.632057072 Hartree
65	RY*(8)C2	2075	0.000022418	2.180367434 Hartree
66	RY*(9)C2	2076	0.000015523	1.767782940 Hartree
67	RY*(10)C2	2077	0.000009647	2.862388309 Hartree
68	RY*(1)C3	2078	0.004826133	1.273834782 Hartree
69	RY*(2)C3	2079	0.002838318	0.711162651 Hartree
70	RY*(3)C3	2080	0.000652698	1.921283053 Hartree
71	RY*(4)C3	2081	0.000364947	0.754205685 Hartree
72	RY*(5)C3	2082	0.000231733	1.140945990 Hartree
73	RY*(6)C3	2083	0.000100773	2.364826857 Hartree
74	RY*(7)C3	2084	0.000046579	3.458778346 Hartree
75	RY*(8)C3	2085	0.000014186	2.144797057 Hartree
76	RY*(9)C3	2086	0.000001642	1.688714557 Hartree
77	RY*(10)C3	2087	0.000008365	2.991148345 Hartree
78	RY*(1)C4	2088	0.004754633	1.276486754 Hartree
79	RY*(2)C4	2089	0.002690947	0.707699626 Hartree
80	RY*(3)C4	2090	0.000624787	1.711183624 Hartree
81	RY*(4)C4	2091	0.000535181	0.933941320 Hartree
82	RY*(5)C4	2092	0.000202653	1.127012439 Hartree
83	RY*(6)C4	2093	0.000103779	2.361294668 Hartree
84	RY*(7)C4	2094	0.000046820	3.422863016 Hartree
85	RY*(8)C4	2095	0.000012847	2.127054647 Hartree
86	RY*(9)C4	2096	0.000005562	3.026814833 Hartree
87	RY*(10)C4	2097	0.000000778	1.716749532 Hartree
88	RY*(1)C5	2098	0.004826133	1.273834782 Hartree
89	RY*(2)C5	2099	0.002838318	0.711162651 Hartree
90	RY*(3)C5	2100	0.000637016	1.945795117 Hartree
91	RY*(4)C5	2101	0.000367698	0.729301836 Hartree
92	RY*(5)C5	2102	0.000231733	1.140945990 Hartree
93	RY*(6)C5	2103	0.000100773	2.364826857 Hartree
94	RY*(7)C5	2104	0.000046579	3.458778346 Hartree
95	RY*(8)C5	2105	0.000014186	2.144797057 Hartree
96	RY*(9)C5	2106	0.000001641	1.689154004 Hartree
97	RY*(10)C5	2107	0.000008365	2.991148346 Hartree
98	RY*(1)C6	2108	0.004658281	1.278731977 Hartree
99	RY*(2)C6	2109	0.002422574	0.747613549 Hartree
100	RY*(3)C6	2110	0.000614011	1.757343775 Hartree
101	RY*(4)C6	2111	0.000505780	0.855313043 Hartree
102	RY*(5)C6	2112	0.000368910	1.196666046 Hartree
103	RY*(6)C6	2113	0.000090518	2.346549505 Hartree
104	RY*(7)C6	2114	0.000044215	3.632057072 Hartree
105	RY*(8)C6	2115	0.000019204	2.263620794 Hartree
106	RY*(9)C6	2116	0.000015523	1.767726330 Hartree
107	RY*(10)C6	2117	0.000012860	2.779134949 Hartree
108	RY*(1)H7	2118	0.000867417	0.563133088 Hartree
109	RY*(1)H8	2119	0.000841995	0.563972996 Hartree
110	RY*(1)H9	2120	0.000826539	0.562857069 Hartree
111	RY*(1)H10	2121	0.000841995	0.563972996 Hartree
112	RY*(1)H11	2122	0.000867417	0.563133088 Hartree
113	RY*(1)C12	2123	0.004755063	0.900667418 Hartree
114	RY*(2)C12	2124	0.003574978	2.020818911 Hartree
115	RY*(3)C12	2125	0.000935406	1.558564680 Hartree
116	RY*(4)C12	2126	0.000687711	1.417195682 Hartree
117	RY*(5)C12	2127	0.000336472	1.279261216 Hartree
118	RY*(6)C12	2128	0.000119404	3.086368906 Hartree
119	RY*(7)C12	2129	0.000014091	1.747841806 Hartree
120	RY*(8)C12	2130	0.000009230	2.183007836 Hartree
121	RY*(9)C12	2131	0.000017449	3.166614650 Hartree
122	RY*(10)C12	2132	0.000006496	1.788347879 Hartree
123	RY*(1)C13	2133	0.004755063	0.900667418 Hartree
124	RY*(2)C13	2134	0.003574978	2.020818911 Hartree
125	RY*(3)C13	2135	0.000935406	1.558564680 Hartree
126	RY*(4)C13	2136	0.000687711	1.417195682 Hartree
127	RY*(5)C13	2137	0.000336472	1.279261216 Hartree
128	RY*(6)C13	2138	0.000119404	3.086368906 Hartree
129	RY*(7)C13	2139	0.000014091	1.747841806 Hartree
130	RY*(8)C13	2140	0.000009230	2.183007836 Hartree
131	RY*(9)C13	2141	0.000017449	3.166614649 Hartree
132	RY*(10)C13	2142	0.000006496	1.788347879 Hartree
133	RY*(1)C14	2143	0.005760331	1.365868815 Hartree
134	RY*(2)C14	2144	0.002495200	1.158443315 Hartree
135	RY*(3)C14	2145	0.001127181	1.304017722 Hartree
136	RY*(4)C14	2146	0.000851117	1.411835144 Hartree
137	RY*(5)C14	2147	0.000658077	1.882473937 Hartree
138	RY*(6)C14	2148	0.000464089	2.368385076 Hartree
139	RY*(7)C14	2149	0.000275838	1.273849623 Hartree
140	RY*(8)C14	2150	0.000101723	3.240874423 Hartree
141	RY*(9)C14	2151	0.000053646	2.937089632 Hartree
142	RY*(10)C14	2152	0.000018234	2.488341959 Hartree
143	RY*(1)C15	2153	0.004658281	1.278731977 Hartree
144	RY*(2)C15	2154	0.002422574	0.747613549 Hartree
145	RY*(3)C15	2155	0.000714165	1.505520681 Hartree
146	RY*(4)C15	2156	0.000460489	1.106804280 Hartree
147	RY*(5)C15	2157	0.000368910	1.196666046 Hartree
148	RY*(6)C15	2158	0.000090518	2.346549505 Hartree
149	RY*(7)C15	2159	0.000044215	3.632057073 Hartree
150	RY*(8)C15	2160	0.000022418	2.180367434 Hartree
151	RY*(9)C15	2161	0.000015523	1.767782940 Hartree
152	RY*(10)C15	2162	0.000009647	2.862388308 Hartree
153	RY*(1)C16	2163	0.004826133	1.273834782 Hartree
154	RY*(2)C16	2164	0.002838318	0.711162651 Hartree
155	RY*(3)C16	2165	0.000652698	1.921283053 Hartree
156	RY*(4)C16	2166	0.000364947	0.754205685 Hartree
157	RY*(5)C16	2167	0.000231733	1.140945990 Hartree
158	RY*(6)C16	2168	0.000100773	2.364826857 Hartree
159	RY*(7)C16	2169	0.000046579	3.458778347 Hartree
160	RY*(8)C16	2170	0.000014186	2.144797057 Hartree
161	RY*(9)C16	2171	0.000001642	1.688714557 Hartree
162	RY*(10)C16	2172	0.000008365	2.991148345 Hartree
163	RY*(1)C17	2173	0.004754633	1.276486754 Hartree
164	RY*(2)C17	2174	0.002690947	0.707699626 Hartree
165	RY*(3)C17	2175	0.000624787	1.711183624 Hartree
166	RY*(4)C17	2176	0.000535181	0.933941319 Hartree
167	RY*(5)C17	2177	0.000202653	1.127012439 Hartree
168	RY*(6)C17	2178	0.000103779	2.361294668 Hartree
169	RY*(7)C17	2179	0.000046820	3.422863016 Hartree
170	RY*(8)C17	2180	0.000012847	2.127054648 Hartree
171	RY*(9)C17	2181	0.000005562	3.026814833 Hartree
172	RY*(10)C17	2182	0.000000778	1.716749532 Hartree
173	RY*(1)C18	2183	0.004826133	1.273834782 Hartree
174	RY*(2)C18	2184	0.002838318	0.711162651 Hartree
175	RY*(3)C18	2185	0.000637016	1.945795117 Hartree
176	RY*(4)C18	2186	0.000367698	0.729301836 Hartree
177	RY*(5)C18	2187	0.000231733	1.140945990 Hartree
178	RY*(6)C18	2188	0.000100773	2.364826857 Hartree
179	RY*(7)C18	2189	0.000046579	3.458778345 Hartree
180	RY*(8)C18	2190	0.000014186	2.144797056 Hartree
181	RY*(9)C18	2191	0.000001641	1.689154004 Hartree
182	RY*(10)C18	2192	0.000008365	2.991148347 Hartree
183	RY*(1)C19	2193	0.004658281	1.278731977 Hartree
184	RY*(2)C19	2194	0.002422574	0.747613549 Hartree
185	RY*(3)C19	2195	0.000614011	1.757343775 Hartree
186	RY*(4)C19	2196	0.000505780	0.855313043 Hartree
187	RY*(5)C19	2197	0.000368910	1.196666046 Hartree
188	RY*(6)C19	2198	0.000090518	2.346549505 Hartree
189	RY*(7)C19	2199	0.000044215	3.632057072 Hartree
190	RY*(8)C19	2200	0.000019204	2.263620794 Hartree
191	RY*(9)C19	2201	0.000015523	1.767726330 Hartree
192	RY*(10)C19	2202	0.000012860	2.779134948 Hartree
193	RY*(1)H20	2203	0.000867417	0.563133088 Hartree
194	RY*(1)H21	2204	0.000841995	0.563972996 Hartree
195	RY*(1)H22	2205	0.000826539	0.562857069 Hartree
196	RY*(1)H23	2206	0.000841995	0.563972996 Hartree
197	RY*(1)H24	2207	0.000867417	0.563133088 Hartree
198	BD*(1)C1-C2		0.025931019	0.563253059 Hartree
199	BD*(2)C1-C2		0.391267088	0.036697937 Hartree
200	BD*(1)C1-C6		0.025931019	0.563253059 Hartree
201	BD*(1)C1-C12		0.024817285	0.555678287 Hartree
202	BD*(1)C2-C3		0.014411271	0.589598186 Hartree
203	BD*(1)C2-H11		0.011321995	0.477612526 Hartree
204	BD*(1)C3-C4		0.015717389	0.580737486 Hartree
205	BD*(2)C3-C4		0.338256209	0.036649783 Hartree
206	BD*(1)C3-H10		0.012113287	0.475868050 Hartree
207	BD*(1)C4-C5		0.015717389	0.580737486 Hartree
208	BD*(1)C4-H9		0.012052737	0.476159607 Hartree
209	BD*(1)C5-C6		0.014411271	0.589598186 Hartree
210	BD*(2)C5-C6		0.310969549	0.038740904 Hartree
211	BD*(1)C5-H8		0.012113287	0.475868050 Hartree
212	BD*(1)C6-H7		0.011321995	0.477612526 Hartree
213	BD*(1)C12-C13		0.022501143	0.989390629 Hartree
214	BD*(2)C12-C13		0.029308225	0.145505641 Hartree
215	BD*(3)C12-C13		0.130654847	0.143037421 Hartree
216	BD*(1)C13-C14		0.024817285	0.555678287 Hartree
217	BD*(1)C14-C15		0.025931019	0.563253059 Hartree
218	BD*(2)C14-C15		0.391267088	0.036697937 Hartree
219	BD*(1)C14-C19		0.025931019	0.563253059 Hartree
220	BD*(1)C15-C16		0.014411271	0.589598186 Hartree
221	BD*(1)C15-H24		0.011321995	0.477612526 Hartree
222	BD*(1)C16-C17		0.015717389	0.580737486 Hartree
223	BD*(2)C16-C17		0.338256209	0.036649783 Hartree
224	BD*(1)C16-H23		0.012113287	0.475868050 Hartree
225	BD*(1)C17-C18		0.015717389	0.580737486 Hartree
226	BD*(1)C17-H22		0.012052737	0.476159607 Hartree
227	BD*(1)C18-C19		0.014411271	0.589598186 Hartree
228	BD*(2)C18-C19		0.310969549	0.038740904 Hartree
229	BD*(1)C18-H21		0.012113287	0.475868050 Hartree
230	BD*(1)C19-H20		0.011321995	0.477612526 Hartree

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The number of Unix installations has grown to 10, with more expected. -- The Unix Programmer's Manual, 2nd Edition, June, 1972.

WebMO Job Summary

610649: C14H10, Natural Bond Orbitals - Gaussian

Calculated Quantities

Overview

Rotational Constants

Molecular Orbitals

Natural Population Analysis

Natural Atomic Orbitals

Natural Hybrid Orbitals

Natural Bond Orbitals

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