WebMO Job Summary

Overview

Quantity	Value
Route	#N B3LYP/6-31G(d) SP GFINPUT POP=(FULL,NBORead) Geom=Connectivity
Stoichiometry	C₈H₁₂(3)
Symmetry	C2
Basis	6-31G(d)
UB3LYP Energy	-311.934231717 Hartree
Dipole Moment	0.5407 Debye
Server	default (2773613)
CPU time	104.7 sec

Rotational Constants

Constant	Frequency (GHz)	Frequency (cm^-1)
a	2.6388992	0.08802420240
b	1.3413352	0.04474212623
c	0.9264085	0.03090166131

Molecular Orbitals

Display Range		- / 288
Orbital	Symmetry	Occupancy	Energy	Actions
1	-	1	-10.18517 Hartree
2	-	1	-10.18517 Hartree
3	-	1	-10.18412 Hartree
4	-	1	-10.18412 Hartree
5	-	1	-10.17465 Hartree
6	-	1	-10.17402 Hartree
7	-	1	-10.17332 Hartree
8	-	1	-10.17317 Hartree
9	-	1	-0.83920 Hartree
10	-	1	-0.79654 Hartree
11	-	1	-0.75949 Hartree
12	-	1	-0.70951 Hartree
13	-	1	-0.66118 Hartree
14	-	1	-0.60425 Hartree
15	-	1	-0.56776 Hartree
16	-	1	-0.50394 Hartree
17	-	1	-0.49126 Hartree
18	-	1	-0.46531 Hartree
19	-	1	-0.43071 Hartree
20	-	1	-0.41522 Hartree
21	-	1	-0.41499 Hartree
22	-	1	-0.39304 Hartree
23	-	1	-0.38128 Hartree
24	-	1	-0.37265 Hartree
25	-	1	-0.35429 Hartree
26	-	1	-0.34064 Hartree
27	-	1	-0.34061 Hartree
28	-	1	-0.33711 Hartree
29	-	1	-0.29003 Hartree
30	-	1	-0.21078 Hartree
31	-	1	-0.12206 Hartree
32	-	0	0.04061 Hartree
33	-	0	0.08679 Hartree
34	-	0	0.10851 Hartree
35	-	0	0.11267 Hartree
36	-	0	0.12403 Hartree
37	-	0	0.13107 Hartree
38	-	0	0.14434 Hartree
39	-	0	0.15361 Hartree
40	-	0	0.16586 Hartree
41	-	0	0.17171 Hartree
42	-	0	0.18868 Hartree
43	-	0	0.19002 Hartree
44	-	0	0.20580 Hartree
45	-	0	0.22044 Hartree
46	-	0	0.26805 Hartree
47	-	0	0.27440 Hartree
48	-	0	0.33952 Hartree
49	-	0	0.36003 Hartree
50	-	0	0.39815 Hartree
51	-	0	0.44257 Hartree
52	-	0	0.47338 Hartree
53	-	0	0.47456 Hartree
54	-	0	0.51534 Hartree
55	-	0	0.53436 Hartree
56	-	0	0.54641 Hartree
57	-	0	0.56644 Hartree
58	-	0	0.57520 Hartree
59	-	0	0.59150 Hartree
60	-	0	0.61914 Hartree
61	-	0	0.62693 Hartree
62	-	0	0.62759 Hartree
63	-	0	0.63770 Hartree
64	-	0	0.64345 Hartree
65	-	0	0.66736 Hartree
66	-	0	0.70073 Hartree
67	-	0	0.72542 Hartree
68	-	0	0.72632 Hartree
69	-	0	0.74793 Hartree
70	-	0	0.75223 Hartree
71	-	0	0.75886 Hartree
72	-	0	0.77938 Hartree
73	-	0	0.84323 Hartree
74	-	0	0.84550 Hartree
75	-	0	0.86188 Hartree
76	-	0	0.87032 Hartree
77	-	0	0.87440 Hartree
78	-	0	0.88094 Hartree
79	-	0	0.90282 Hartree
80	-	0	0.91229 Hartree
81	-	0	0.93219 Hartree
82	-	0	0.93484 Hartree
83	-	0	0.93835 Hartree
84	-	0	0.94305 Hartree
85	-	0	0.98539 Hartree
86	-	0	1.04699 Hartree
87	-	0	1.05608 Hartree
88	-	0	1.10088 Hartree
89	-	0	1.11617 Hartree
90	-	0	1.18297 Hartree
91	-	0	1.18835 Hartree
92	-	0	1.22885 Hartree
93	-	0	1.26982 Hartree
94	-	0	1.34698 Hartree
95	-	0	1.37174 Hartree
96	-	0	1.37381 Hartree
97	-	0	1.43667 Hartree
98	-	0	1.47498 Hartree
99	-	0	1.49930 Hartree
100	-	0	1.51793 Hartree
101	-	0	1.62720 Hartree
102	-	0	1.63760 Hartree
103	-	0	1.67328 Hartree
104	-	0	1.77611 Hartree
105	-	0	1.80702 Hartree
106	-	0	1.82864 Hartree
107	-	0	1.86908 Hartree
108	-	0	1.89479 Hartree
109	-	0	1.90056 Hartree
110	-	0	1.94145 Hartree
111	-	0	1.98829 Hartree
112	-	0	2.00471 Hartree
113	-	0	2.00649 Hartree
114	-	0	2.07251 Hartree
115	-	0	2.10824 Hartree
116	-	0	2.13961 Hartree
117	-	0	2.18532 Hartree
118	-	0	2.20896 Hartree
119	-	0	2.24219 Hartree
120	-	0	2.27826 Hartree
121	-	0	2.29127 Hartree
122	-	0	2.32178 Hartree
123	-	0	2.33047 Hartree
124	-	0	2.36670 Hartree
125	-	0	2.45409 Hartree
126	-	0	2.46659 Hartree
127	-	0	2.47778 Hartree
128	-	0	2.60658 Hartree
129	-	0	2.65540 Hartree
130	-	0	2.66605 Hartree
131	-	0	2.74549 Hartree
132	-	0	2.77138 Hartree
133	-	0	2.90341 Hartree
134	-	0	3.03332 Hartree
135	-	0	3.04522 Hartree
136	-	0	3.39459 Hartree
137	-	0	4.13085 Hartree
138	-	0	4.13141 Hartree
139	-	0	4.15607 Hartree
140	-	0	4.21820 Hartree
141	-	0	4.30909 Hartree
142	-	0	4.35899 Hartree
143	-	0	4.45123 Hartree
144	-	0	4.66006 Hartree
145	-	1	-10.18572 Hartree
146	-	1	-10.18572 Hartree
147	-	1	-10.17520 Hartree
148	-	1	-10.17520 Hartree
149	-	1	-10.17385 Hartree
150	-	1	-10.17385 Hartree
151	-	1	-10.16865 Hartree
152	-	1	-10.16788 Hartree
153	-	1	-0.82392 Hartree
154	-	1	-0.78297 Hartree
155	-	1	-0.74425 Hartree
156	-	1	-0.70360 Hartree
157	-	1	-0.65315 Hartree
158	-	1	-0.58929 Hartree
159	-	1	-0.55831 Hartree
160	-	1	-0.49634 Hartree
161	-	1	-0.48494 Hartree
162	-	1	-0.45920 Hartree
163	-	1	-0.42504 Hartree
164	-	1	-0.40405 Hartree
165	-	1	-0.40400 Hartree
166	-	1	-0.38992 Hartree
167	-	1	-0.37685 Hartree
168	-	1	-0.36868 Hartree
169	-	1	-0.34413 Hartree
170	-	1	-0.33521 Hartree
171	-	1	-0.33213 Hartree
172	-	1	-0.30844 Hartree
173	-	1	-0.25646 Hartree
174	-	0	-0.10981 Hartree
175	-	0	-0.02066 Hartree
176	-	0	0.07771 Hartree
177	-	0	0.08940 Hartree
178	-	0	0.11070 Hartree
179	-	0	0.11357 Hartree
180	-	0	0.13333 Hartree
181	-	0	0.14389 Hartree
182	-	0	0.16065 Hartree
183	-	0	0.16219 Hartree
184	-	0	0.17157 Hartree
185	-	0	0.17312 Hartree
186	-	0	0.19312 Hartree
187	-	0	0.20070 Hartree
188	-	0	0.21402 Hartree
189	-	0	0.22622 Hartree
190	-	0	0.27565 Hartree
191	-	0	0.28153 Hartree
192	-	0	0.34778 Hartree
193	-	0	0.36422 Hartree
194	-	0	0.40227 Hartree
195	-	0	0.44726 Hartree
196	-	0	0.47729 Hartree
197	-	0	0.48138 Hartree
198	-	0	0.52048 Hartree
199	-	0	0.54575 Hartree
200	-	0	0.55552 Hartree
201	-	0	0.57985 Hartree
202	-	0	0.58600 Hartree
203	-	0	0.60273 Hartree
204	-	0	0.63190 Hartree
205	-	0	0.63657 Hartree
206	-	0	0.64134 Hartree
207	-	0	0.66086 Hartree
208	-	0	0.66109 Hartree
209	-	0	0.68072 Hartree
210	-	0	0.70911 Hartree
211	-	0	0.72998 Hartree
212	-	0	0.73299 Hartree
213	-	0	0.76401 Hartree
214	-	0	0.76655 Hartree
215	-	0	0.76840 Hartree
216	-	0	0.79137 Hartree
217	-	0	0.84624 Hartree
218	-	0	0.84767 Hartree
219	-	0	0.86832 Hartree
220	-	0	0.87493 Hartree
221	-	0	0.87982 Hartree
222	-	0	0.88504 Hartree
223	-	0	0.90443 Hartree
224	-	0	0.91546 Hartree
225	-	0	0.93547 Hartree
226	-	0	0.94171 Hartree
227	-	0	0.94217 Hartree
228	-	0	0.94987 Hartree
229	-	0	0.99331 Hartree
230	-	0	1.05663 Hartree
231	-	0	1.06261 Hartree
232	-	0	1.11128 Hartree
233	-	0	1.12354 Hartree
234	-	0	1.19309 Hartree
235	-	0	1.19607 Hartree
236	-	0	1.23946 Hartree
237	-	0	1.27642 Hartree
238	-	0	1.35628 Hartree
239	-	0	1.38218 Hartree
240	-	0	1.38803 Hartree
241	-	0	1.44787 Hartree
242	-	0	1.49038 Hartree
243	-	0	1.51635 Hartree
244	-	0	1.54300 Hartree
245	-	0	1.65153 Hartree
246	-	0	1.65366 Hartree
247	-	0	1.68754 Hartree
248	-	0	1.78054 Hartree
249	-	0	1.81367 Hartree
250	-	0	1.83354 Hartree
251	-	0	1.88051 Hartree
252	-	0	1.90943 Hartree
253	-	0	1.91208 Hartree
254	-	0	1.95323 Hartree
255	-	0	2.00611 Hartree
256	-	0	2.01763 Hartree
257	-	0	2.02519 Hartree
258	-	0	2.07939 Hartree
259	-	0	2.11965 Hartree
260	-	0	2.16133 Hartree
261	-	0	2.19869 Hartree
262	-	0	2.21888 Hartree
263	-	0	2.25402 Hartree
264	-	0	2.27957 Hartree
265	-	0	2.30989 Hartree
266	-	0	2.33603 Hartree
267	-	0	2.34157 Hartree
268	-	0	2.38761 Hartree
269	-	0	2.47028 Hartree
270	-	0	2.47389 Hartree
271	-	0	2.50022 Hartree
272	-	0	2.61817 Hartree
273	-	0	2.66740 Hartree
274	-	0	2.67926 Hartree
275	-	0	2.76686 Hartree
276	-	0	2.78340 Hartree
277	-	0	2.91147 Hartree
278	-	0	3.03746 Hartree
279	-	0	3.04963 Hartree
280	-	0	3.40093 Hartree
281	-	0	4.14165 Hartree
282	-	0	4.14193 Hartree
283	-	0	4.16736 Hartree
284	-	0	4.22339 Hartree
285	-	0	4.31482 Hartree
286	-	0	4.37078 Hartree
287	-	0	4.46346 Hartree
288	-	0	4.67159 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom	Symbol	Charge
1	C	-0.34171
2	C	-0.38663
3	C	-0.13487
4	C	-0.31220
5	C	-0.31220
6	C	-0.13487
7	C	-0.38663
8	C	-0.34171
9	H	0.10721
10	H	0.10686
11	H	0.11500
12	H	0.12013
13	H	0.11096
14	H	0.11524
15	H	0.11524
16	H	0.11096
17	H	0.12013
18	H	0.10721
19	H	0.10686
20	H	0.11500

Natural Population Analysis

Atom	Symbol	Charge
1	C	-0.37018
2	C	0.22161
3	C	-0.14728
4	C	0.08893
5	C	0.08893
6	C	-0.14728
7	C	0.22161
8	C	-0.37018
9	H	0.13284
10	H	0.13411
11	H	0.11602
12	H	0.10105
13	H	0.11451
14	H	0.10837
15	H	0.10837
16	H	0.11451
17	H	0.10105
18	H	0.13284
19	H	0.13411
20	H	0.11602

Natural Atomic Orbitals

Display Range		- / 144
Orbital	Description	Occupancy	Energy	Actions
1	C1 Cor(1S)	0.999716301	-10.058412165 Hartree
2	C1 Val(2S)	0.556619857	-0.266166416 Hartree
3	C1 Ryd(3S)	0.000168253	1.257359690 Hartree
4	C1 Ryd(4S)	0.000002826	4.205018100 Hartree
5	C1 Val(2p)	0.615318163	-0.085655743 Hartree
6	C1 Ryd(3p)	0.000629132	0.644287502 Hartree
7	C1 Val(2p)	0.578270727	-0.078832853 Hartree
8	C1 Ryd(3p)	0.000495215	0.591417871 Hartree
9	C1 Val(2p)	0.587662362	-0.082073557 Hartree
10	C1 Ryd(3p)	0.000919583	0.603005257 Hartree
11	C1 Ryd(3d)	0.000569429	2.176546011 Hartree
12	C1 Ryd(3d)	0.000357825	1.975432257 Hartree
13	C1 Ryd(3d)	0.000389242	2.207261234 Hartree
14	C1 Ryd(3d)	0.000185610	1.890972943 Hartree
15	C1 Ryd(3d)	0.000409262	2.031513289 Hartree
16	C2 Cor(1S)	0.999544845	-10.040792737 Hartree
17	C2 Val(2S)	0.498227070	-0.197017521 Hartree
18	C2 Ryd(3S)	0.000655720	1.057957490 Hartree
19	C2 Ryd(4S)	0.000024092	4.168700586 Hartree
20	C2 Val(2p)	0.686520702	-0.097558043 Hartree
21	C2 Ryd(3p)	0.002799010	0.785062965 Hartree
22	C2 Val(2p)	0.622906213	-0.078364910 Hartree
23	C2 Ryd(3p)	0.002436650	0.920214856 Hartree
24	C2 Val(2p)	0.570030525	-0.039430237 Hartree
25	C2 Ryd(3p)	0.002105823	0.681159936 Hartree
26	C2 Ryd(3d)	0.000297614	2.080131467 Hartree
27	C2 Ryd(3d)	0.000287956	2.198692907 Hartree
28	C2 Ryd(3d)	0.000291720	2.237883557 Hartree
29	C2 Ryd(3d)	0.000115783	1.891442184 Hartree
30	C2 Ryd(3d)	0.000382313	2.269435217 Hartree
31	C3 Cor(1S)	0.999477721	-10.012064126 Hartree
32	C3 Val(2S)	0.466847795	-0.127198114 Hartree
33	C3 Ryd(3S)	0.000664339	1.262343814 Hartree
34	C3 Ryd(4S)	0.000023798	3.905345903 Hartree
35	C3 Val(2p)	0.546425233	-0.074982726 Hartree
36	C3 Ryd(3p)	0.001527698	0.774306879 Hartree
37	C3 Val(2p)	0.566774435	-0.050745606 Hartree
38	C3 Ryd(3p)	0.002670441	0.936591018 Hartree
39	C3 Val(2p)	0.546137535	-0.028853261 Hartree
40	C3 Ryd(3p)	0.002289730	0.762067551 Hartree
41	C3 Ryd(3d)	0.000439160	2.123236661 Hartree
42	C3 Ryd(3d)	0.000582415	2.237833120 Hartree
43	C3 Ryd(3d)	0.000399793	2.386959525 Hartree
44	C3 Ryd(3d)	0.000175856	1.947007425 Hartree
45	C3 Ryd(3d)	0.000433050	2.407708344 Hartree
46	C4 Cor(1S)	0.999506620	-10.013881427 Hartree
47	C4 Val(2S)	0.469039511	-0.136828000 Hartree
48	C4 Ryd(3S)	0.000625580	1.375649824 Hartree
49	C4 Ryd(4S)	0.000027993	3.778844949 Hartree
50	C4 Val(2p)	0.665595402	-0.102535566 Hartree
51	C4 Ryd(3p)	0.003099760	0.694184689 Hartree
52	C4 Val(2p)	0.575849297	-0.028642746 Hartree
53	C4 Ryd(3p)	0.002284208	0.784310238 Hartree
54	C4 Val(2p)	0.591548940	-0.042524448 Hartree
55	C4 Ryd(3p)	0.003034606	1.039980842 Hartree
56	C4 Ryd(3d)	0.000300622	2.277271646 Hartree
57	C4 Ryd(3d)	0.000197251	1.961988747 Hartree
58	C4 Ryd(3d)	0.000299652	2.382116149 Hartree
59	C4 Ryd(3d)	0.000417063	2.191798389 Hartree
60	C4 Ryd(3d)	0.000376643	2.254603968 Hartree
61	C5 Cor(1S)	0.999506620	-10.013881427 Hartree
62	C5 Val(2S)	0.469039511	-0.136828000 Hartree
63	C5 Ryd(3S)	0.000625580	1.375649824 Hartree
64	C5 Ryd(4S)	0.000027993	3.778844949 Hartree
65	C5 Val(2p)	0.665595402	-0.102535566 Hartree
66	C5 Ryd(3p)	0.003099760	0.694184689 Hartree
67	C5 Val(2p)	0.575849297	-0.028642746 Hartree
68	C5 Ryd(3p)	0.002284208	0.784310238 Hartree
69	C5 Val(2p)	0.591548940	-0.042524448 Hartree
70	C5 Ryd(3p)	0.003034606	1.039980842 Hartree
71	C5 Ryd(3d)	0.000300622	2.277271646 Hartree
72	C5 Ryd(3d)	0.000197251	1.961988747 Hartree
73	C5 Ryd(3d)	0.000299652	2.382116149 Hartree
74	C5 Ryd(3d)	0.000417063	2.191798389 Hartree
75	C5 Ryd(3d)	0.000376643	2.254603968 Hartree
76	C6 Cor(1S)	0.999477721	-10.012064126 Hartree
77	C6 Val(2S)	0.466847795	-0.127198114 Hartree
78	C6 Ryd(3S)	0.000664339	1.262343814 Hartree
79	C6 Ryd(4S)	0.000023798	3.905345903 Hartree
80	C6 Val(2p)	0.546425233	-0.074982726 Hartree
81	C6 Ryd(3p)	0.001527698	0.774306879 Hartree
82	C6 Val(2p)	0.566774435	-0.050745606 Hartree
83	C6 Ryd(3p)	0.002670441	0.936591018 Hartree
84	C6 Val(2p)	0.546137535	-0.028853261 Hartree
85	C6 Ryd(3p)	0.002289730	0.762067551 Hartree
86	C6 Ryd(3d)	0.000439160	2.123236661 Hartree
87	C6 Ryd(3d)	0.000582415	2.237833120 Hartree
88	C6 Ryd(3d)	0.000399793	2.386959525 Hartree
89	C6 Ryd(3d)	0.000175856	1.947007425 Hartree
90	C6 Ryd(3d)	0.000433050	2.407708344 Hartree
91	C7 Cor(1S)	0.999544845	-10.040792737 Hartree
92	C7 Val(2S)	0.498227070	-0.197017521 Hartree
93	C7 Ryd(3S)	0.000655720	1.057957490 Hartree
94	C7 Ryd(4S)	0.000024092	4.168700586 Hartree
95	C7 Val(2p)	0.686520702	-0.097558043 Hartree
96	C7 Ryd(3p)	0.002799010	0.785062965 Hartree
97	C7 Val(2p)	0.622906213	-0.078364910 Hartree
98	C7 Ryd(3p)	0.002436650	0.920214856 Hartree
99	C7 Val(2p)	0.570030525	-0.039430237 Hartree
100	C7 Ryd(3p)	0.002105823	0.681159936 Hartree
101	C7 Ryd(3d)	0.000297614	2.080131467 Hartree
102	C7 Ryd(3d)	0.000287956	2.198692907 Hartree
103	C7 Ryd(3d)	0.000291720	2.237883557 Hartree
104	C7 Ryd(3d)	0.000115783	1.891442184 Hartree
105	C7 Ryd(3d)	0.000382313	2.269435217 Hartree
106	C8 Cor(1S)	0.999716301	-10.058412165 Hartree
107	C8 Val(2S)	0.556619857	-0.266166416 Hartree
108	C8 Ryd(3S)	0.000168253	1.257359690 Hartree
109	C8 Ryd(4S)	0.000002826	4.205018100 Hartree
110	C8 Val(2p)	0.615318163	-0.085655743 Hartree
111	C8 Ryd(3p)	0.000629132	0.644287502 Hartree
112	C8 Val(2p)	0.578270727	-0.078832853 Hartree
113	C8 Ryd(3p)	0.000495215	0.591417871 Hartree
114	C8 Val(2p)	0.587662362	-0.082073557 Hartree
115	C8 Ryd(3p)	0.000919583	0.603005257 Hartree
116	C8 Ryd(3d)	0.000569429	2.176546011 Hartree
117	C8 Ryd(3d)	0.000357825	1.975432257 Hartree
118	C8 Ryd(3d)	0.000389242	2.207261234 Hartree
119	C8 Ryd(3d)	0.000185610	1.890972943 Hartree
120	C8 Ryd(3d)	0.000409262	2.031513289 Hartree
121	H9 Val(1S)	0.392000021	0.067407100 Hartree
122	H9 Ryd(2S)	0.000788586	0.654865782 Hartree
123	H10 Val(1S)	0.392218699	0.068311734 Hartree
124	H10 Ryd(2S)	0.000917640	0.654664592 Hartree
125	H11 Val(1S)	0.384479435	0.073322099 Hartree
126	H11 Ryd(2S)	0.000517932	0.666901158 Hartree
127	H12 Val(1S)	0.379245621	0.091485314 Hartree
128	H12 Ryd(2S)	0.000621959	0.717123539 Hartree
129	H13 Val(1S)	0.388294070	0.082071712 Hartree
130	H13 Ryd(2S)	0.000748382	0.628479220 Hartree
131	H14 Val(1S)	0.383987314	0.081232282 Hartree
132	H14 Ryd(2S)	0.000768372	0.626341507 Hartree
133	H15 Val(1S)	0.383987314	0.081232282 Hartree
134	H15 Ryd(2S)	0.000768372	0.626341507 Hartree
135	H16 Val(1S)	0.388294070	0.082071712 Hartree
136	H16 Ryd(2S)	0.000748382	0.628479220 Hartree
137	H17 Val(1S)	0.379245621	0.091485314 Hartree
138	H17 Ryd(2S)	0.000621959	0.717123539 Hartree
139	H18 Val(1S)	0.392000021	0.067407100 Hartree
140	H18 Ryd(2S)	0.000788586	0.654865782 Hartree
141	H19 Val(1S)	0.392218699	0.068311734 Hartree
142	H19 Ryd(2S)	0.000917640	0.654664592 Hartree
143	H20 Val(1S)	0.384479435	0.073322099 Hartree
144	H20 Ryd(2S)	0.000517932	0.666901158 Hartree

Natural Hybrid Orbitals

Display Range		- / 288
Orbital	Description	Occupancy	Energy	Actions
1	BD(1)C1(C2) 1s(28.41%)p2.52(71.55%)d0.00(0.04%)	0.499705090	-0.091825227 Hartree
2	BD(1)C2(C1) 2s(32.29%)p2.10(67.69%)d0.00(0.03%)	0.498567130	-0.090503541 Hartree
3	BD(1)C1(H18) 1s(23.63%)p3.23(76.31%)d0.00(0.07%)	0.612101134	-0.134047331 Hartree
4	BD(1)H18(C1) 18s(100.00%)	0.392000023	0.067406687 Hartree
5	BD(1)C1(H19) 1s(23.69%)p3.22(76.24%)d0.00(0.07%)	0.612563493	-0.134164798 Hartree
6	BD(1)H19(C1) 19s(100.00%)	0.392218507	0.068344084 Hartree
7	BD(1)C1(H20) 1s(24.28%)p3.12(75.66%)d0.00(0.06%)	0.615315232	-0.135383977 Hartree
8	BD(1)H20(C1) 20s(100.00%)	0.384478612	0.074067551 Hartree
9	BD(1)C2(C3) 2s(38.67%)p1.58(61.29%)d0.00(0.04%)	0.494857349	-0.018478072 Hartree
10	BD(1)C3(C2) 3s(36.57%)p1.73(63.40%)d0.00(0.04%)	0.505682433	-0.035917893 Hartree
11	BD(1)C2(H17) 2s(29.08%)p2.44(70.87%)d0.00(0.05%)	0.618896369	-0.136486180 Hartree
12	BD(1)H17(C2) 17s(100.00%)	0.379244991	0.094885890 Hartree
13	BD(1)C3(C4) 3s(37.38%)p1.67(62.59%)d0.00(0.03%)	0.499651524	-0.017815344 Hartree
14	BD(1)C4(C3) 4s(37.89%)p1.64(62.08%)d0.00(0.03%)	0.500761041	-0.023029907 Hartree
15	BD(2)C3(C4) 3s(0.04%)p99.99(99.87%)d2.67(0.10%)	0.513757878	-0.087394298 Hartree
16	BD(2)C4(C3) 4s(0.11%)p99.99(99.86%)d0.25(0.03%)	0.692955621	-0.125101356 Hartree
17	BD(1)C3(H16) 3s(26.06%)p2.84(73.89%)d0.00(0.05%)	0.608892764	-0.118753859 Hartree
18	BD(1)H16(C3) 16s(100.00%)	0.388290681	0.083393180 Hartree
19	BD(1)C4(C5) 4s(37.47%)p1.67(62.50%)d0.00(0.04%)	0.500076194	-0.027241493 Hartree
20	BD(1)C5(C4) 5s(37.47%)p1.67(62.50%)d0.00(0.04%)	0.500076194	-0.027241493 Hartree
21	BD(1)C4(H15) 4s(24.58%)p3.07(75.37%)d0.00(0.05%)	0.610757347	-0.116803336 Hartree
22	BD(1)H15(C4) 15s(100.00%)	0.383984818	0.083151454 Hartree
23	BD(1)C5(C6) 5s(37.89%)p1.64(62.08%)d0.00(0.03%)	0.500761041	-0.023029907 Hartree
24	BD(1)C6(C5) 6s(37.38%)p1.67(62.59%)d0.00(0.03%)	0.499651524	-0.017815344 Hartree
25	BD(2)C5(C6) 5s(0.11%)p99.99(99.86%)d0.25(0.03%)	0.692955621	-0.125101356 Hartree
26	BD(2)C6(C5) 6s(0.04%)p99.99(99.87%)d2.67(0.10%)	0.513757878	-0.087394298 Hartree
27	BD(1)C5(H14) 5s(24.58%)p3.07(75.37%)d0.00(0.05%)	0.610757347	-0.116803336 Hartree
28	BD(1)H14(C5) 14s(100.00%)	0.383984818	0.083151454 Hartree
29	BD(1)C6(C7) 6s(36.57%)p1.73(63.40%)d0.00(0.04%)	0.505682433	-0.035917893 Hartree
30	BD(1)C7(C6) 7s(38.67%)p1.58(61.29%)d0.00(0.04%)	0.494857349	-0.018478072 Hartree
31	BD(1)C6(H13) 6s(26.06%)p2.84(73.89%)d0.00(0.05%)	0.608892764	-0.118753859 Hartree
32	BD(1)H13(C6) 13s(100.00%)	0.388290681	0.083393180 Hartree
33	BD(1)C7(C8) 7s(32.29%)p2.10(67.69%)d0.00(0.03%)	0.498567130	-0.090503541 Hartree
34	BD(1)C8(C7) 8s(28.41%)p2.52(71.55%)d0.00(0.04%)	0.499705090	-0.091825227 Hartree
35	BD(1)C7(H12) 7s(29.08%)p2.44(70.87%)d0.00(0.05%)	0.618896369	-0.136486180 Hartree
36	BD(1)H12(C7) 12s(100.00%)	0.379244991	0.094885890 Hartree
37	BD(1)C8(H9) 8s(23.63%)p3.23(76.31%)d0.00(0.07%)	0.612101134	-0.134047331 Hartree
38	BD(1)H9(C8) 9s(100.00%)	0.392000023	0.067406687 Hartree
39	BD(1)C8(H10) 8s(23.69%)p3.22(76.24%)d0.00(0.07%)	0.612563493	-0.134164798 Hartree
40	BD(1)H10(C8) 10s(100.00%)	0.392218507	0.068344084 Hartree
41	BD(1)C8(H11) 8s(24.28%)p3.12(75.66%)d0.00(0.06%)	0.615315232	-0.135383977 Hartree
42	BD(1)H11(C8) 11s(100.00%)	0.384478612	0.074067551 Hartree
43	CR(1)C1 s(100.00%)p0.00(0.00%)	0.999716420	-10.058219787 Hartree
44	CR(1)C2 s(100.00%)p0.00(0.00%)	0.999546245	-10.041131031 Hartree
45	CR(1)C3 s(100.00%)p0.00(0.00%)	0.999480868	-10.012597537 Hartree
46	CR(1)C4 s(100.00%)p0.00(0.00%)	0.999508749	-10.014384114 Hartree
47	CR(1)C5 s(100.00%)p0.00(0.00%)	0.999508749	-10.014384114 Hartree
48	CR(1)C6 s(100.00%)p0.00(0.00%)	0.999480868	-10.012597537 Hartree
49	CR(1)C7 s(100.00%)p0.00(0.00%)	0.999546245	-10.041131031 Hartree
50	CR(1)C8 s(100.00%)p0.00(0.00%)	0.999716420	-10.058219787 Hartree
51	LP(1)C2 s(0.00%)p1.00(99.98%)d0.00(0.02%)	0.768480770	-0.151107207 Hartree
52	LP(1)C7 s(0.00%)p1.00(99.98%)d0.00(0.02%)	0.768480770	-0.151107207 Hartree
53	RY*(1)C1 s(0.53%)p99.99(92.16%)d13.70(7.31%)	0.001420988	0.777598171 Hartree
54	RY*(2)C1 s(0.05%)p99.99(25.59%)d99.99(74.36%)	0.000611272	1.680215240 Hartree
55	RY*(3)C1 s(13.18%)p6.40(84.37%)d0.19(2.45%)	0.000238240	0.680471038 Hartree
56	RY*(4)C1 s(9.58%)p2.72(26.03%)d6.72(64.39%)	0.000014423	1.877144099 Hartree
57	RY*(5)C1 s(45.11%)p0.27(12.02%)d0.95(42.87%)	0.000003298	1.487723711 Hartree
58	RY*(6)C1 s(91.78%)p0.03(2.75%)d0.06(5.47%)	0.000001302	3.986769440 Hartree
59	RY*(7)C1 s(0.10%)p99.99(35.16%)d99.99(64.74%)	0.000008376	1.540397661 Hartree
60	RY*(8)C1 s(0.01%)p99.99(1.31%)d99.99(98.68%)	0.000004500	2.157046907 Hartree
61	RY*(9)C1 s(0.04%)p99.99(5.94%)d99.99(94.02%)	0.000005027	1.914601687 Hartree
62	RY*(10)C1 s(39.59%)p0.38(14.93%)d1.15(45.48%)	0.000004992	1.463346584 Hartree
63	RY*(1)C2 s(0.51%)p99.99(98.16%)d2.63(1.33%)	0.002646162	0.661409688 Hartree
64	RY*(2)C2 s(2.24%)p39.68(88.86%)d3.98(8.91%)	0.001929506	1.175676105 Hartree
65	RY*(3)C2 s(7.20%)p12.44(89.55%)d0.45(3.25%)	0.001153225	0.791509897 Hartree
66	RY*(4)C2 s(7.06%)p0.40(2.86%)d12.75(90.08%)	0.000275464	1.856940720 Hartree
67	RY*(5)C2 s(59.27%)p0.12(7.30%)d0.56(33.44%)	0.000152418	1.488958542 Hartree
68	RY*(6)C2 s(37.10%)p0.15(5.40%)d1.55(57.51%)	0.000060479	2.094325511 Hartree
69	RY*(7)C2 s(10.65%)p0.33(3.51%)d8.06(85.84%)	0.000033189	2.491616595 Hartree
70	RY*(8)C2 s(6.26%)p0.15(0.92%)d14.82(92.82%)	0.000013932	1.898599772 Hartree
71	RY*(9)C2 s(68.82%)p0.04(2.95%)d0.41(28.23%)	0.000002896	3.550603802 Hartree
72	RY*(10)C2 s(0.85%)p0.80(0.68%)d99.99(98.46%)	0.000010901	2.265583119 Hartree
73	RY*(1)C3 s(1.11%)p83.38(92.19%)d6.07(6.71%)	0.003102956	1.206266918 Hartree
74	RY*(2)C3 s(0.23%)p99.99(79.55%)d87.64(20.22%)	0.001852736	1.001205973 Hartree
75	RY*(3)C3 s(0.18%)p99.99(49.88%)d99.99(49.94%)	0.001389050	1.376953763 Hartree
76	RY*(4)C3 s(0.17%)p99.99(67.86%)d99.99(31.97%)	0.000733377	1.078209034 Hartree
77	RY*(5)C3 s(94.39%)p0.02(1.77%)d0.04(3.84%)	0.000207688	1.322551795 Hartree
78	RY*(6)C3 s(1.41%)p1.36(1.92%)d68.50(96.67%)	0.000073815	2.376228378 Hartree
79	RY*(7)C3 s(84.08%)p0.00(0.17%)d0.19(15.75%)	0.000023538	3.765514230 Hartree
80	RY*(8)C3 s(7.37%)p0.25(1.83%)d12.32(90.80%)	0.000005641	2.218918801 Hartree
81	RY*(9)C3 s(2.66%)p0.63(1.67%)d36.00(95.67%)	0.000004422	1.894832348 Hartree
82	RY*(10)C3 s(8.37%)p0.41(3.42%)d10.54(88.21%)	0.000010311	2.481354098 Hartree
83	RY*(1)C4 s(0.15%)p99.99(95.07%)d31.89(4.78%)	0.003254279	1.174966907 Hartree
84	RY*(2)C4 s(0.27%)p99.99(91.71%)d29.28(8.01%)	0.002616799	0.766932694 Hartree
85	RY*(3)C4 s(0.76%)p99.99(96.97%)d3.00(2.27%)	0.001404929	0.801151534 Hartree
86	RY*(4)C4 s(7.61%)p1.08(8.24%)d11.06(84.15%)	0.000527569	1.892400527 Hartree
87	RY*(5)C4 s(81.13%)p0.01(0.71%)d0.22(18.16%)	0.000179641	1.367999626 Hartree
88	RY*(6)C4 s(9.72%)p0.07(0.64%)d9.22(89.64%)	0.000108108	2.328852101 Hartree
89	RY*(7)C4 s(48.81%)p0.01(0.71%)d1.03(50.48%)	0.000035140	3.402816113 Hartree
90	RY*(8)C4 s(29.07%)p0.01(0.26%)d2.43(70.67%)	0.000006705	2.664199041 Hartree
91	RY*(9)C4 s(1.88%)p1.22(2.29%)d50.99(95.83%)	0.000001224	1.845393402 Hartree
92	RY*(10)C4 s(20.54%)p0.17(3.59%)d3.69(75.87%)	0.000009799	2.478185511 Hartree
93	RY*(1)C5 s(0.15%)p99.99(95.07%)d31.89(4.78%)	0.003254279	1.174966907 Hartree
94	RY*(2)C5 s(0.27%)p99.99(91.71%)d29.28(8.01%)	0.002616799	0.766932694 Hartree
95	RY*(3)C5 s(0.76%)p99.99(96.97%)d3.00(2.27%)	0.001404929	0.801151534 Hartree
96	RY*(4)C5 s(7.61%)p1.08(8.24%)d11.06(84.15%)	0.000527569	1.892400527 Hartree
97	RY*(5)C5 s(81.13%)p0.01(0.71%)d0.22(18.16%)	0.000179641	1.367999626 Hartree
98	RY*(6)C5 s(9.72%)p0.07(0.64%)d9.22(89.64%)	0.000108108	2.328852101 Hartree
99	RY*(7)C5 s(48.81%)p0.01(0.71%)d1.03(50.48%)	0.000035140	3.402816114 Hartree
100	RY*(8)C5 s(29.07%)p0.01(0.26%)d2.43(70.67%)	0.000006705	2.664199041 Hartree
101	RY*(9)C5 s(1.88%)p1.22(2.29%)d50.99(95.83%)	0.000001224	1.845393402 Hartree
102	RY*(10)C5 s(20.54%)p0.17(3.59%)d3.69(75.87%)	0.000009799	2.478185512 Hartree
103	RY*(1)C6 s(1.11%)p83.38(92.19%)d6.07(6.71%)	0.003102956	1.206266918 Hartree
104	RY*(2)C6 s(0.23%)p99.99(79.55%)d87.64(20.22%)	0.001852736	1.001205973 Hartree
105	RY*(3)C6 s(0.18%)p99.99(49.88%)d99.99(49.94%)	0.001389050	1.376953763 Hartree
106	RY*(4)C6 s(0.17%)p99.99(67.86%)d99.99(31.97%)	0.000733377	1.078209034 Hartree
107	RY*(5)C6 s(94.39%)p0.02(1.77%)d0.04(3.84%)	0.000207688	1.322551795 Hartree
108	RY*(6)C6 s(1.41%)p1.36(1.92%)d68.50(96.67%)	0.000073815	2.376228378 Hartree
109	RY*(7)C6 s(84.08%)p0.00(0.17%)d0.19(15.75%)	0.000023538	3.765514230 Hartree
110	RY*(8)C6 s(7.37%)p0.25(1.83%)d12.32(90.80%)	0.000005641	2.218918801 Hartree
111	RY*(9)C6 s(2.66%)p0.63(1.67%)d36.00(95.67%)	0.000004422	1.894832348 Hartree
112	RY*(10)C6 s(8.37%)p0.41(3.42%)d10.54(88.21%)	0.000010311	2.481354098 Hartree
113	RY*(1)C7 s(0.51%)p99.99(98.16%)d2.63(1.33%)	0.002646162	0.661409688 Hartree
114	RY*(2)C7 s(2.24%)p39.68(88.86%)d3.98(8.91%)	0.001929506	1.175676105 Hartree
115	RY*(3)C7 s(7.20%)p12.44(89.55%)d0.45(3.25%)	0.001153225	0.791509897 Hartree
116	RY*(4)C7 s(7.06%)p0.40(2.86%)d12.75(90.08%)	0.000275464	1.856940720 Hartree
117	RY*(5)C7 s(59.27%)p0.12(7.30%)d0.56(33.44%)	0.000152418	1.488958542 Hartree
118	RY*(6)C7 s(37.10%)p0.15(5.40%)d1.55(57.51%)	0.000060479	2.094325511 Hartree
119	RY*(7)C7 s(10.65%)p0.33(3.51%)d8.06(85.84%)	0.000033189	2.491616595 Hartree
120	RY*(8)C7 s(6.26%)p0.15(0.92%)d14.82(92.82%)	0.000013932	1.898599772 Hartree
121	RY*(9)C7 s(68.82%)p0.04(2.95%)d0.41(28.23%)	0.000002896	3.550603802 Hartree
122	RY*(10)C7 s(0.85%)p0.80(0.68%)d99.99(98.46%)	0.000010901	2.265583119 Hartree
123	RY*(1)C8 s(0.53%)p99.99(92.16%)d13.70(7.31%)	0.001420988	0.777598171 Hartree
124	RY*(2)C8 s(0.05%)p99.99(25.59%)d99.99(74.36%)	0.000611272	1.680215240 Hartree
125	RY*(3)C8 s(13.18%)p6.40(84.37%)d0.19(2.45%)	0.000238240	0.680471038 Hartree
126	RY*(4)C8 s(9.58%)p2.72(26.03%)d6.72(64.39%)	0.000014423	1.877144100 Hartree
127	RY*(5)C8 s(45.11%)p0.27(12.02%)d0.95(42.87%)	0.000003298	1.487723711 Hartree
128	RY*(6)C8 s(91.78%)p0.03(2.75%)d0.06(5.47%)	0.000001302	3.986769440 Hartree
129	RY*(7)C8 s(0.10%)p99.99(35.16%)d99.99(64.74%)	0.000008376	1.540397661 Hartree
130	RY*(8)C8 s(0.01%)p99.99(1.31%)d99.99(98.68%)	0.000004500	2.157046907 Hartree
131	RY*(9)C8 s(0.04%)p99.99(5.94%)d99.99(94.02%)	0.000005027	1.914601687 Hartree
132	RY*(10)C8 s(39.59%)p0.38(14.93%)d1.15(45.48%)	0.000004992	1.463346584 Hartree
133	RY*(1)H9 s(100.00%)	0.000788584	0.654866196 Hartree
134	RY*(1)H10 s(100.00%)	0.000917832	0.654632242 Hartree
135	RY*(1)H11 s(100.00%)	0.000518755	0.666155706 Hartree
136	RY*(1)H12 s(100.00%)	0.000622589	0.713722964 Hartree
137	RY*(1)H13 s(100.00%)	0.000751771	0.627157752 Hartree
138	RY*(1)H14 s(100.00%)	0.000770868	0.624422335 Hartree
139	RY*(1)H15 s(100.00%)	0.000770868	0.624422335 Hartree
140	RY*(1)H16 s(100.00%)	0.000751771	0.627157752 Hartree
141	RY*(1)H17 s(100.00%)	0.000622589	0.713722964 Hartree
142	RY*(1)H18 s(100.00%)	0.000788584	0.654866196 Hartree
143	RY*(1)H19 s(100.00%)	0.000917832	0.654632242 Hartree
144	RY*(1)H20 s(100.00%)	0.000518755	0.666155706 Hartree
145	BD(1)C1(C2) 1s(28.41%)p2.52(71.55%)d0.00(0.04%)	0.516564641	-0.097196072 Hartree
146	BD(1)C2(C1) 2s(32.29%)p2.10(67.69%)d0.00(0.03%)	0.481723714	-0.061853871 Hartree
147	BD(1)C1(H18) 1s(23.63%)p3.23(76.31%)d0.00(0.07%)	0.617615347	-0.134830907 Hartree
148	BD(1)H18(C1) 18s(100.00%)	0.366816076	0.079427460 Hartree
149	BD(1)C1(H19) 1s(23.69%)p3.22(76.24%)d0.00(0.07%)	0.618402574	-0.135707590 Hartree
150	BD(1)H19(C1) 19s(100.00%)	0.365555124	0.081298539 Hartree
151	BD(1)C1(H20) 1s(24.28%)p3.12(75.66%)d0.00(0.06%)	0.616172782	-0.135911792 Hartree
152	BD(1)H20(C1) 20s(100.00%)	0.383470901	0.074391637 Hartree
153	BD(1)C2(C3) 2s(38.67%)p1.58(61.29%)d0.00(0.04%)	0.482288771	0.012429507 Hartree
154	BD(1)C3(C2) 3s(36.57%)p1.73(63.40%)d0.00(0.04%)	0.517924774	-0.037985471 Hartree
155	BD(1)C2(H17) 2s(29.08%)p2.44(70.87%)d0.00(0.05%)	0.597201351	-0.107256992 Hartree
156	BD(1)H17(C2) 17s(100.00%)	0.398241889	0.086254905 Hartree
157	BD(1)C3(C4) 3s(37.38%)p1.67(62.59%)d0.00(0.03%)	0.507364663	-0.017800528 Hartree
158	BD(1)C4(C3) 4s(37.89%)p1.64(62.08%)d0.00(0.03%)	0.491562237	-0.000976129 Hartree
159	BD(2)C3(C4) 3s(0.04%)p99.99(99.87%)d2.67(0.10%)	0.507933510	-0.086972586 Hartree
160	BD(2)C4(C3) 4s(0.11%)p99.99(99.86%)d0.25(0.03%)	0.317353243	-0.041952801 Hartree
161	BD(1)C3(H16) 3s(26.06%)p2.84(73.89%)d0.00(0.05%)	0.609487423	-0.117969472 Hartree
162	BD(1)H16(C3) 16s(100.00%)	0.384782168	0.084811031 Hartree
163	BD(1)C4(C5) 4s(37.47%)p1.67(62.50%)d0.00(0.04%)	0.499339504	-0.008527894 Hartree
164	BD(1)C5(C4) 5s(37.47%)p1.67(62.50%)d0.00(0.04%)	0.499339504	-0.008527894 Hartree
165	BD(1)C4(H15) 4s(24.58%)p3.07(75.37%)d0.00(0.05%)	0.597933789	-0.098171824 Hartree
166	BD(1)H15(C4) 15s(100.00%)	0.390936251	0.080017976 Hartree
167	BD(1)C5(C6) 5s(37.89%)p1.64(62.08%)d0.00(0.03%)	0.491562237	-0.000976129 Hartree
168	BD(1)C6(C5) 6s(37.38%)p1.67(62.59%)d0.00(0.03%)	0.507364663	-0.017800528 Hartree
169	BD(2)C5(C6) 5s(0.11%)p99.99(99.86%)d0.25(0.03%)	0.317353243	-0.041952801 Hartree
170	BD(2)C6(C5) 6s(0.04%)p99.99(99.87%)d2.67(0.10%)	0.507933510	-0.086972586 Hartree
171	BD(1)C5(H14) 5s(24.58%)p3.07(75.37%)d0.00(0.05%)	0.597933789	-0.098171824 Hartree
172	BD(1)H14(C5) 14s(100.00%)	0.390936251	0.080017976 Hartree
173	BD(1)C6(C7) 6s(36.57%)p1.73(63.40%)d0.00(0.04%)	0.517924774	-0.037985471 Hartree
174	BD(1)C7(C6) 7s(38.67%)p1.58(61.29%)d0.00(0.04%)	0.482288771	0.012429507 Hartree
175	BD(1)C6(H13) 6s(26.06%)p2.84(73.89%)d0.00(0.05%)	0.609487423	-0.117969472 Hartree
176	BD(1)H13(C6) 13s(100.00%)	0.384782168	0.084811031 Hartree
177	BD(1)C7(C8) 7s(32.29%)p2.10(67.69%)d0.00(0.03%)	0.481723714	-0.061853871 Hartree
178	BD(1)C8(C7) 8s(28.41%)p2.52(71.55%)d0.00(0.04%)	0.516564641	-0.097196072 Hartree
179	BD(1)C7(H12) 7s(29.08%)p2.44(70.87%)d0.00(0.05%)	0.597201351	-0.107256992 Hartree
180	BD(1)H12(C7) 12s(100.00%)	0.398241889	0.086254905 Hartree
181	BD(1)C8(H9) 8s(23.63%)p3.23(76.31%)d0.00(0.07%)	0.617615347	-0.134830907 Hartree
182	BD(1)H9(C8) 9s(100.00%)	0.366816076	0.079427460 Hartree
183	BD(1)C8(H10) 8s(23.69%)p3.22(76.24%)d0.00(0.07%)	0.618402574	-0.135707590 Hartree
184	BD(1)H10(C8) 10s(100.00%)	0.365555124	0.081298539 Hartree
185	BD(1)C8(H11) 8s(24.28%)p3.12(75.66%)d0.00(0.06%)	0.616172782	-0.135911792 Hartree
186	BD(1)H11(C8) 11s(100.00%)	0.383470901	0.074391637 Hartree
187	CR(1)C1 s(100.00%)p0.00(0.00%)	0.999715925	-10.058727479 Hartree
188	CR(1)C2 s(100.00%)p0.00(0.00%)	0.999535516	-10.033013648 Hartree
189	CR(1)C3 s(100.00%)p0.00(0.00%)	0.999478003	-10.012925588 Hartree
190	CR(1)C4 s(100.00%)p0.00(0.00%)	0.999500025	-10.009162756 Hartree
191	CR(1)C5 s(100.00%)p0.00(0.00%)	0.999500025	-10.009162756 Hartree
192	CR(1)C6 s(100.00%)p0.00(0.00%)	0.999478003	-10.012925588 Hartree
193	CR(1)C7 s(100.00%)p0.00(0.00%)	0.999535516	-10.033013648 Hartree
194	CR(1)C8 s(100.00%)p0.00(0.00%)	0.999715925	-10.058727479 Hartree
195	LP(1)C2 s(0.00%)p1.00(99.98%)d0.00(0.02%)	0.213684354	-0.029404013 Hartree
196	LP(1)C7 s(0.00%)p1.00(99.98%)d0.00(0.02%)	0.213684354	-0.029404013 Hartree
197	RY*(1)C1 s(0.53%)p99.99(92.16%)d13.70(7.31%)	0.001325148	0.786947516 Hartree
198	RY*(2)C1 s(0.05%)p99.99(25.59%)d99.99(74.36%)	0.000255635	0.691803640 Hartree
199	RY*(3)C1 s(13.18%)p6.40(84.37%)d0.19(2.45%)	0.000088214	1.723700722 Hartree
200	RY*(4)C1 s(9.58%)p2.72(26.03%)d6.72(64.39%)	0.000005290	1.562715945 Hartree
201	RY*(5)C1 s(45.11%)p0.27(12.02%)d0.95(42.87%)	0.000014242	1.893617436 Hartree
202	RY*(6)C1 s(91.78%)p0.03(2.75%)d0.06(5.47%)	0.000000847	3.878200675 Hartree
203	RY*(7)C1 s(0.10%)p99.99(35.16%)d99.99(64.74%)	0.000005577	1.131432744 Hartree
204	RY*(8)C1 s(0.01%)p99.99(1.31%)d99.99(98.68%)	0.000005852	2.151121850 Hartree
205	RY*(9)C1 s(0.04%)p99.99(5.94%)d99.99(94.02%)	0.000001801	1.892257272 Hartree
206	RY*(10)C1 s(39.59%)p0.38(14.93%)d1.15(45.48%)	0.000002058	1.854675928 Hartree
207	RY*(1)C2 s(0.51%)p99.99(98.16%)d2.63(1.33%)	0.001896359	1.189826140 Hartree
208	RY*(2)C2 s(2.24%)p39.68(88.86%)d3.98(8.91%)	0.001181394	0.788155099 Hartree
209	RY*(3)C2 s(7.20%)p12.44(89.55%)d0.45(3.25%)	0.000585840	1.093537307 Hartree
210	RY*(4)C2 s(7.06%)p0.40(2.86%)d12.75(90.08%)	0.000161734	1.419980007 Hartree
211	RY*(5)C2 s(59.27%)p0.12(7.30%)d0.56(33.44%)	0.000054601	2.068067738 Hartree
212	RY*(6)C2 s(37.10%)p0.15(5.40%)d1.55(57.51%)	0.000029607	1.682622976 Hartree
213	RY*(7)C2 s(10.65%)p0.33(3.51%)d8.06(85.84%)	0.000021112	2.410689979 Hartree
214	RY*(8)C2 s(6.26%)p0.15(0.92%)d14.82(92.82%)	0.000015728	2.262610722 Hartree
215	RY*(9)C2 s(68.82%)p0.04(2.95%)d0.41(28.23%)	0.000002619	2.003897683 Hartree
216	RY*(10)C2 s(0.85%)p0.80(0.68%)d99.99(98.46%)	0.000003416	3.599620824 Hartree
217	RY*(1)C3 s(1.11%)p83.38(92.19%)d6.07(6.71%)	0.002906212	1.199547018 Hartree
218	RY*(2)C3 s(0.23%)p99.99(79.55%)d87.64(20.22%)	0.001665293	0.779054841 Hartree
219	RY*(3)C3 s(0.18%)p99.99(49.88%)d99.99(49.94%)	0.000226370	1.344419747 Hartree
220	RY*(4)C3 s(0.17%)p99.99(67.86%)d99.99(31.97%)	0.000164474	1.000606399 Hartree
221	RY*(5)C3 s(94.39%)p0.02(1.77%)d0.04(3.84%)	0.000058187	2.083781451 Hartree
222	RY*(6)C3 s(1.41%)p1.36(1.92%)d68.50(96.67%)	0.000015701	1.981738049 Hartree
223	RY*(7)C3 s(84.08%)p0.00(0.17%)d0.19(15.75%)	0.000020217	2.060026832 Hartree
224	RY*(8)C3 s(7.37%)p0.25(1.83%)d12.32(90.80%)	0.000014410	2.512972246 Hartree
225	RY*(9)C3 s(2.66%)p0.63(1.67%)d36.00(95.67%)	0.000021327	3.831792615 Hartree
226	RY*(10)C3 s(8.37%)p0.41(3.42%)d10.54(88.21%)	0.000001103	1.943860113 Hartree
227	RY*(1)C4 s(0.15%)p99.99(95.07%)d31.89(4.78%)	0.003100252	1.194674891 Hartree
228	RY*(2)C4 s(0.27%)p99.99(91.71%)d29.28(8.01%)	0.001587856	0.800835183 Hartree
229	RY*(3)C4 s(0.76%)p99.99(96.97%)d3.00(2.27%)	0.000271447	1.427174244 Hartree
230	RY*(4)C4 s(7.61%)p1.08(8.24%)d11.06(84.15%)	0.000212185	1.276156248 Hartree
231	RY*(5)C4 s(81.13%)p0.01(0.71%)d0.22(18.16%)	0.000125020	2.029818387 Hartree
232	RY*(6)C4 s(9.72%)p0.07(0.64%)d9.22(89.64%)	0.000042711	2.203294271 Hartree
233	RY*(7)C4 s(48.81%)p0.01(0.71%)d1.03(50.48%)	0.000016540	3.482926793 Hartree
234	RY*(8)C4 s(29.07%)p0.01(0.26%)d2.43(70.67%)	0.000003425	2.104534818 Hartree
235	RY*(9)C4 s(1.88%)p1.22(2.29%)d50.99(95.83%)	0.000011164	2.201621680 Hartree
236	RY*(10)C4 s(20.54%)p0.17(3.59%)d3.69(75.87%)	0.000009252	2.171658092 Hartree
237	RY*(1)C5 s(0.15%)p99.99(95.07%)d31.89(4.78%)	0.003100252	1.194674891 Hartree
238	RY*(2)C5 s(0.27%)p99.99(91.71%)d29.28(8.01%)	0.001587856	0.800835183 Hartree
239	RY*(3)C5 s(0.76%)p99.99(96.97%)d3.00(2.27%)	0.000271447	1.427174244 Hartree
240	RY*(4)C5 s(7.61%)p1.08(8.24%)d11.06(84.15%)	0.000212185	1.276156248 Hartree
241	RY*(5)C5 s(81.13%)p0.01(0.71%)d0.22(18.16%)	0.000125020	2.029818387 Hartree
242	RY*(6)C5 s(9.72%)p0.07(0.64%)d9.22(89.64%)	0.000042711	2.203294271 Hartree
243	RY*(7)C5 s(48.81%)p0.01(0.71%)d1.03(50.48%)	0.000016540	3.482926793 Hartree
244	RY*(8)C5 s(29.07%)p0.01(0.26%)d2.43(70.67%)	0.000003425	2.104534819 Hartree
245	RY*(9)C5 s(1.88%)p1.22(2.29%)d50.99(95.83%)	0.000011164	2.201621680 Hartree
246	RY*(10)C5 s(20.54%)p0.17(3.59%)d3.69(75.87%)	0.000009252	2.171658092 Hartree
247	RY*(1)C6 s(1.11%)p83.38(92.19%)d6.07(6.71%)	0.002906212	1.199547018 Hartree
248	RY*(2)C6 s(0.23%)p99.99(79.55%)d87.64(20.22%)	0.001665293	0.779054841 Hartree
249	RY*(3)C6 s(0.18%)p99.99(49.88%)d99.99(49.94%)	0.000226370	1.344419747 Hartree
250	RY*(4)C6 s(0.17%)p99.99(67.86%)d99.99(31.97%)	0.000164474	1.000606398 Hartree
251	RY*(5)C6 s(94.39%)p0.02(1.77%)d0.04(3.84%)	0.000058187	2.083781451 Hartree
252	RY*(6)C6 s(1.41%)p1.36(1.92%)d68.50(96.67%)	0.000015701	1.981738049 Hartree
253	RY*(7)C6 s(84.08%)p0.00(0.17%)d0.19(15.75%)	0.000020217	2.060026832 Hartree
254	RY*(8)C6 s(7.37%)p0.25(1.83%)d12.32(90.80%)	0.000014410	2.512972246 Hartree
255	RY*(9)C6 s(2.66%)p0.63(1.67%)d36.00(95.67%)	0.000021327	3.831792616 Hartree
256	RY*(10)C6 s(8.37%)p0.41(3.42%)d10.54(88.21%)	0.000001103	1.943860113 Hartree
257	RY*(1)C7 s(0.51%)p99.99(98.16%)d2.63(1.33%)	0.001896359	1.189826140 Hartree
258	RY*(2)C7 s(2.24%)p39.68(88.86%)d3.98(8.91%)	0.001181394	0.788155099 Hartree
259	RY*(3)C7 s(7.20%)p12.44(89.55%)d0.45(3.25%)	0.000585840	1.093537307 Hartree
260	RY*(4)C7 s(7.06%)p0.40(2.86%)d12.75(90.08%)	0.000161734	1.419980007 Hartree
261	RY*(5)C7 s(59.27%)p0.12(7.30%)d0.56(33.44%)	0.000054601	2.068067739 Hartree
262	RY*(6)C7 s(37.10%)p0.15(5.40%)d1.55(57.51%)	0.000029607	1.682622976 Hartree
263	RY*(7)C7 s(10.65%)p0.33(3.51%)d8.06(85.84%)	0.000021112	2.410689980 Hartree
264	RY*(8)C7 s(6.26%)p0.15(0.92%)d14.82(92.82%)	0.000015728	2.262610722 Hartree
265	RY*(9)C7 s(68.82%)p0.04(2.95%)d0.41(28.23%)	0.000002619	2.003897683 Hartree
266	RY*(10)C7 s(0.85%)p0.80(0.68%)d99.99(98.46%)	0.000003416	3.599620824 Hartree
267	RY*(1)C8 s(0.53%)p99.99(92.16%)d13.70(7.31%)	0.001325148	0.786947516 Hartree
268	RY*(2)C8 s(0.05%)p99.99(25.59%)d99.99(74.36%)	0.000255635	0.691803640 Hartree
269	RY*(3)C8 s(13.18%)p6.40(84.37%)d0.19(2.45%)	0.000088214	1.723700722 Hartree
270	RY*(4)C8 s(9.58%)p2.72(26.03%)d6.72(64.39%)	0.000005290	1.562715945 Hartree
271	RY*(5)C8 s(45.11%)p0.27(12.02%)d0.95(42.87%)	0.000014242	1.893617435 Hartree
272	RY*(6)C8 s(91.78%)p0.03(2.75%)d0.06(5.47%)	0.000000847	3.878200676 Hartree
273	RY*(7)C8 s(0.10%)p99.99(35.16%)d99.99(64.74%)	0.000005577	1.131432744 Hartree
274	RY*(8)C8 s(0.01%)p99.99(1.31%)d99.99(98.68%)	0.000005852	2.151121850 Hartree
275	RY*(9)C8 s(0.04%)p99.99(5.94%)d99.99(94.02%)	0.000001801	1.892257272 Hartree
276	RY*(10)C8 s(39.59%)p0.38(14.93%)d1.15(45.48%)	0.000002058	1.854675928 Hartree
277	RY*(1)H9 s(100.00%)	0.000341154	0.656139576 Hartree
278	RY*(1)H10 s(100.00%)	0.000336067	0.655538452 Hartree
279	RY*(1)H11 s(100.00%)	0.000505155	0.666119790 Hartree
280	RY*(1)H12 s(100.00%)	0.000705150	0.715386881 Hartree
281	RY*(1)H13 s(100.00%)	0.000704852	0.627193745 Hartree
282	RY*(1)H14 s(100.00%)	0.000692848	0.625484741 Hartree
283	RY*(1)H15 s(100.00%)	0.000692848	0.625484741 Hartree
284	RY*(1)H16 s(100.00%)	0.000704852	0.627193745 Hartree
285	RY*(1)H17 s(100.00%)	0.000705150	0.715386881 Hartree
286	RY*(1)H18 s(100.00%)	0.000341154	0.656139576 Hartree
287	RY*(1)H19 s(100.00%)	0.000336067	0.655538452 Hartree
288	RY*(1)H20 s(100.00%)	0.000505155	0.666119790 Hartree

Natural Bond Orbitals

Display Range		- / 288
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	BD(1)C1-C2	469, 470	0.994361665	-0.611896338 Hartree
2	BD(1)C1-H18	471, 472	0.995334527	-0.489147925 Hartree
3	BD(1)C1-H19	473, 474	0.994979800	-0.489015374 Hartree
4	BD(1)C1-H20	475, 476	0.995948199	-0.489687509 Hartree
5	BD(1)C2-C3	477, 478	0.991371065	-0.727386141 Hartree
6	BD(1)C2-H17	479, 480	0.988845091	-0.503738167 Hartree
7	BD(1)C3-C4	481, 482	0.988741256	-0.717718515 Hartree
8	BD(2)C3-C4	483, 484	0.955746316	-0.262075781 Hartree
9	BD(1)C3-H16	485, 486	0.986319103	-0.486310397 Hartree
10	BD(1)C4-C5	487, 488	0.989133031	-0.728491159 Hartree
11	BD(1)C4-H15	489, 490	0.985736689	-0.479751380 Hartree
12	BD(1)C5-C6	491, 492	0.988741256	-0.717718515 Hartree
13	BD(2)C5-C6	493, 494	0.955746316	-0.262075781 Hartree
14	BD(1)C5-H14	495, 496	0.985736689	-0.479751379 Hartree
15	BD(1)C6-C7	497, 498	0.991371065	-0.727386141 Hartree
16	BD(1)C6-H13	499, 500	0.986319103	-0.486310396 Hartree
17	BD(1)C7-C8	501, 502	0.994361665	-0.611896338 Hartree
18	BD(1)C7-H12	503, 504	0.988845091	-0.503738167 Hartree
19	BD(1)C8-H9	505, 506	0.995334527	-0.489147925 Hartree
20	BD(1)C8-H10	507, 508	0.994979800	-0.489015374 Hartree
21	BD(1)C8-H11	509, 510	0.995948199	-0.489687509 Hartree
22	CR(1)C1	511	0.999716420	-10.058219787 Hartree
23	CR(1)C2	512	0.999546245	-10.041131031 Hartree
24	CR(1)C3	513	0.999480868	-10.012597537 Hartree
25	CR(1)C4	514	0.999508749	-10.014384114 Hartree
26	CR(1)C5	515	0.999508749	-10.014384114 Hartree
27	CR(1)C6	516	0.999480868	-10.012597537 Hartree
28	CR(1)C7	517	0.999546245	-10.041131031 Hartree
29	CR(1)C8	518	0.999716420	-10.058219787 Hartree
30	LP(1)C2	519	0.768480770	-0.151107207 Hartree
31	LP(1)C7	520	0.768480770	-0.151107207 Hartree
32	RY*(1)C1	521	0.001420988	0.777598171 Hartree
33	RY*(2)C1	522	0.000611272	1.680215240 Hartree
34	RY*(3)C1	523	0.000238240	0.680471038 Hartree
35	RY*(4)C1	524	0.000014423	1.877144099 Hartree
36	RY*(5)C1	525	0.000003298	1.487723711 Hartree
37	RY*(6)C1	526	0.000001302	3.986769440 Hartree
38	RY*(7)C1	527	0.000008376	1.540397661 Hartree
39	RY*(8)C1	528	0.000004500	2.157046907 Hartree
40	RY*(9)C1	529	0.000005027	1.914601687 Hartree
41	RY*(10)C1	530	0.000004992	1.463346584 Hartree
42	RY*(1)C2	531	0.002646162	0.661409688 Hartree
43	RY*(2)C2	532	0.001929506	1.175676105 Hartree
44	RY*(3)C2	533	0.001153225	0.791509897 Hartree
45	RY*(4)C2	534	0.000275464	1.856940720 Hartree
46	RY*(5)C2	535	0.000152418	1.488958542 Hartree
47	RY*(6)C2	536	0.000060479	2.094325511 Hartree
48	RY*(7)C2	537	0.000033189	2.491616595 Hartree
49	RY*(8)C2	538	0.000013932	1.898599772 Hartree
50	RY*(9)C2	539	0.000002896	3.550603802 Hartree
51	RY*(10)C2	540	0.000010901	2.265583119 Hartree
52	RY*(1)C3	541	0.003102956	1.206266918 Hartree
53	RY*(2)C3	542	0.001852736	1.001205973 Hartree
54	RY*(3)C3	543	0.001389050	1.376953763 Hartree
55	RY*(4)C3	544	0.000733377	1.078209034 Hartree
56	RY*(5)C3	545	0.000207688	1.322551795 Hartree
57	RY*(6)C3	546	0.000073815	2.376228378 Hartree
58	RY*(7)C3	547	0.000023538	3.765514230 Hartree
59	RY*(8)C3	548	0.000005641	2.218918801 Hartree
60	RY*(9)C3	549	0.000004422	1.894832348 Hartree
61	RY*(10)C3	550	0.000010311	2.481354098 Hartree
62	RY*(1)C4	551	0.003254279	1.174966907 Hartree
63	RY*(2)C4	552	0.002616799	0.766932694 Hartree
64	RY*(3)C4	553	0.001404929	0.801151534 Hartree
65	RY*(4)C4	554	0.000527569	1.892400527 Hartree
66	RY*(5)C4	555	0.000179641	1.367999626 Hartree
67	RY*(6)C4	556	0.000108108	2.328852101 Hartree
68	RY*(7)C4	557	0.000035140	3.402816113 Hartree
69	RY*(8)C4	558	0.000006705	2.664199041 Hartree
70	RY*(9)C4	559	0.000001224	1.845393402 Hartree
71	RY*(10)C4	560	0.000009799	2.478185511 Hartree
72	RY*(1)C5	561	0.003254279	1.174966907 Hartree
73	RY*(2)C5	562	0.002616799	0.766932694 Hartree
74	RY*(3)C5	563	0.001404929	0.801151534 Hartree
75	RY*(4)C5	564	0.000527569	1.892400527 Hartree
76	RY*(5)C5	565	0.000179641	1.367999626 Hartree
77	RY*(6)C5	566	0.000108108	2.328852101 Hartree
78	RY*(7)C5	567	0.000035140	3.402816114 Hartree
79	RY*(8)C5	568	0.000006705	2.664199041 Hartree
80	RY*(9)C5	569	0.000001224	1.845393402 Hartree
81	RY*(10)C5	570	0.000009799	2.478185512 Hartree
82	RY*(1)C6	571	0.003102956	1.206266918 Hartree
83	RY*(2)C6	572	0.001852736	1.001205973 Hartree
84	RY*(3)C6	573	0.001389050	1.376953763 Hartree
85	RY*(4)C6	574	0.000733377	1.078209034 Hartree
86	RY*(5)C6	575	0.000207688	1.322551795 Hartree
87	RY*(6)C6	576	0.000073815	2.376228378 Hartree
88	RY*(7)C6	577	0.000023538	3.765514230 Hartree
89	RY*(8)C6	578	0.000005641	2.218918801 Hartree
90	RY*(9)C6	579	0.000004422	1.894832348 Hartree
91	RY*(10)C6	580	0.000010311	2.481354098 Hartree
92	RY*(1)C7	581	0.002646162	0.661409688 Hartree
93	RY*(2)C7	582	0.001929506	1.175676105 Hartree
94	RY*(3)C7	583	0.001153225	0.791509897 Hartree
95	RY*(4)C7	584	0.000275464	1.856940720 Hartree
96	RY*(5)C7	585	0.000152418	1.488958542 Hartree
97	RY*(6)C7	586	0.000060479	2.094325511 Hartree
98	RY*(7)C7	587	0.000033189	2.491616595 Hartree
99	RY*(8)C7	588	0.000013932	1.898599772 Hartree
100	RY*(9)C7	589	0.000002896	3.550603802 Hartree
101	RY*(10)C7	590	0.000010901	2.265583119 Hartree
102	RY*(1)C8	591	0.001420988	0.777598171 Hartree
103	RY*(2)C8	592	0.000611272	1.680215240 Hartree
104	RY*(3)C8	593	0.000238240	0.680471038 Hartree
105	RY*(4)C8	594	0.000014423	1.877144100 Hartree
106	RY*(5)C8	595	0.000003298	1.487723711 Hartree
107	RY*(6)C8	596	0.000001302	3.986769440 Hartree
108	RY*(7)C8	597	0.000008376	1.540397661 Hartree
109	RY*(8)C8	598	0.000004500	2.157046907 Hartree
110	RY*(9)C8	599	0.000005027	1.914601687 Hartree
111	RY*(10)C8	600	0.000004992	1.463346584 Hartree
112	RY*(1)H9	601	0.000788584	0.654866196 Hartree
113	RY*(1)H10	602	0.000917832	0.654632242 Hartree
114	RY*(1)H11	603	0.000518755	0.666155706 Hartree
115	RY*(1)H12	604	0.000622589	0.713722964 Hartree
116	RY*(1)H13	605	0.000751771	0.627157752 Hartree
117	RY*(1)H14	606	0.000770868	0.624422335 Hartree
118	RY*(1)H15	607	0.000770868	0.624422335 Hartree
119	RY*(1)H16	608	0.000751771	0.627157752 Hartree
120	RY*(1)H17	609	0.000622589	0.713722964 Hartree
121	RY*(1)H18	610	0.000788584	0.654866196 Hartree
122	RY*(1)H19	611	0.000917832	0.654632242 Hartree
123	RY*(1)H20	612	0.000518755	0.666155706 Hartree
124	BD*(1)C1-C2		0.003910555	0.429567570 Hartree
125	BD*(1)C1-H18		0.008766630	0.422507281 Hartree
126	BD*(1)C1-H19		0.009802199	0.423194661 Hartree
127	BD*(1)C1-H20		0.003845645	0.428371083 Hartree
128	BD*(1)C2-C3		0.009168717	0.672990176 Hartree
129	BD*(1)C2-H17		0.009296269	0.462137876 Hartree
130	BD*(1)C3-C4		0.011671308	0.676873264 Hartree
131	BD*(2)C3-C4		0.250967183	0.049580127 Hartree
132	BD*(1)C3-H16		0.010864342	0.450949718 Hartree
133	BD*(1)C4-C5		0.011019356	0.674008173 Hartree
134	BD*(1)C4-H15		0.009005476	0.446099498 Hartree
135	BD*(1)C5-C6		0.011671308	0.676873264 Hartree
136	BD*(2)C5-C6		0.250967183	0.049580127 Hartree
137	BD*(1)C5-H14		0.009005476	0.446099498 Hartree
138	BD*(1)C6-C7		0.009168717	0.672990176 Hartree
139	BD*(1)C6-H13		0.010864342	0.450949718 Hartree
140	BD*(1)C7-C8		0.003910555	0.429567570 Hartree
141	BD*(1)C7-H12		0.009296269	0.462137876 Hartree
142	BD*(1)C8-H9		0.008766630	0.422507281 Hartree
143	BD*(1)C8-H10		0.009802199	0.423194661 Hartree
144	BD*(1)C8-H11		0.003845645	0.428371083 Hartree
145	BD(1)C1-C2	613, 614	0.994028945	-0.602101598 Hartree
146	BD(1)C1-H18	615, 616	0.982410290	-0.483711589 Hartree
147	BD(1)C1-H19	617, 618	0.981744471	-0.484165619 Hartree
148	BD(1)C1-H20	619, 620	0.995827740	-0.489565284 Hartree
149	BD(1)C2-C3	621, 622	0.990742004	-0.713220734 Hartree
150	BD(1)C2-H17	623, 624	0.986396700	-0.491500520 Hartree
151	BD(1)C3-C4	625, 626	0.987407980	-0.708025313 Hartree
152	BD(2)C3-C4	627, 628	0.782592841	-0.222737808 Hartree
153	BD(1)C3-H16	629, 630	0.984184582	-0.484617062 Hartree
154	BD(1)C4-C5	631, 632	0.987308640	-0.710811119 Hartree
155	BD(1)C4-H15	633, 634	0.980560019	-0.469538225 Hartree
156	BD(1)C5-C6	635, 636	0.987407980	-0.708025313 Hartree
157	BD(2)C5-C6	637, 638	0.782592840	-0.222737808 Hartree
158	BD(1)C5-H14	639, 640	0.980560019	-0.469538225 Hartree
159	BD(1)C6-C7	641, 642	0.990742004	-0.713220734 Hartree
160	BD(1)C6-H13	643, 644	0.984184581	-0.484617061 Hartree
161	BD(1)C7-C8	645, 646	0.994028945	-0.602101598 Hartree
162	BD(1)C7-H12	647, 648	0.986396700	-0.491500520 Hartree
163	BD(1)C8-H9	649, 650	0.982410290	-0.483711589 Hartree
164	BD(1)C8-H10	651, 652	0.981744471	-0.484165619 Hartree
165	BD(1)C8-H11	653, 654	0.995827740	-0.489565284 Hartree
166	CR(1)C1	655	0.999715925	-10.058727479 Hartree
167	CR(1)C2	656	0.999535516	-10.033013648 Hartree
168	CR(1)C3	657	0.999478003	-10.012925588 Hartree
169	CR(1)C4	658	0.999500025	-10.009162756 Hartree
170	CR(1)C5	659	0.999500025	-10.009162756 Hartree
171	CR(1)C6	660	0.999478003	-10.012925588 Hartree
172	CR(1)C7	661	0.999535516	-10.033013648 Hartree
173	CR(1)C8	662	0.999715925	-10.058727479 Hartree
174	LP(1)C2	663	0.213684354	-0.029404013 Hartree
175	LP(1)C7	664	0.213684354	-0.029404013 Hartree
176	RY*(1)C1	665	0.001325148	0.786947516 Hartree
177	RY*(2)C1	666	0.000255635	0.691803640 Hartree
178	RY*(3)C1	667	0.000088214	1.723700722 Hartree
179	RY*(4)C1	668	0.000005290	1.562715945 Hartree
180	RY*(5)C1	669	0.000014242	1.893617436 Hartree
181	RY*(6)C1	670	0.000000847	3.878200675 Hartree
182	RY*(7)C1	671	0.000005577	1.131432744 Hartree
183	RY*(8)C1	672	0.000005852	2.151121850 Hartree
184	RY*(9)C1	673	0.000001801	1.892257272 Hartree
185	RY*(10)C1	674	0.000002058	1.854675928 Hartree
186	RY*(1)C2	675	0.001896359	1.189826140 Hartree
187	RY*(2)C2	676	0.001181394	0.788155099 Hartree
188	RY*(3)C2	677	0.000585840	1.093537307 Hartree
189	RY*(4)C2	678	0.000161734	1.419980007 Hartree
190	RY*(5)C2	679	0.000054601	2.068067738 Hartree
191	RY*(6)C2	680	0.000029607	1.682622976 Hartree
192	RY*(7)C2	681	0.000021112	2.410689979 Hartree
193	RY*(8)C2	682	0.000015728	2.262610722 Hartree
194	RY*(9)C2	683	0.000002619	2.003897683 Hartree
195	RY*(10)C2	684	0.000003416	3.599620824 Hartree
196	RY*(1)C3	685	0.002906212	1.199547018 Hartree
197	RY*(2)C3	686	0.001665293	0.779054841 Hartree
198	RY*(3)C3	687	0.000226370	1.344419747 Hartree
199	RY*(4)C3	688	0.000164474	1.000606399 Hartree
200	RY*(5)C3	689	0.000058187	2.083781451 Hartree
201	RY*(6)C3	690	0.000015701	1.981738049 Hartree
202	RY*(7)C3	691	0.000020217	2.060026832 Hartree
203	RY*(8)C3	692	0.000014410	2.512972246 Hartree
204	RY*(9)C3	693	0.000021327	3.831792615 Hartree
205	RY*(10)C3	694	0.000001103	1.943860113 Hartree
206	RY*(1)C4	695	0.003100252	1.194674891 Hartree
207	RY*(2)C4	696	0.001587856	0.800835183 Hartree
208	RY*(3)C4	697	0.000271447	1.427174244 Hartree
209	RY*(4)C4	698	0.000212185	1.276156248 Hartree
210	RY*(5)C4	699	0.000125020	2.029818387 Hartree
211	RY*(6)C4	700	0.000042711	2.203294271 Hartree
212	RY*(7)C4	701	0.000016540	3.482926793 Hartree
213	RY*(8)C4	702	0.000003425	2.104534818 Hartree
214	RY*(9)C4	703	0.000011164	2.201621680 Hartree
215	RY*(10)C4	704	0.000009252	2.171658092 Hartree
216	RY*(1)C5	705	0.003100252	1.194674891 Hartree
217	RY*(2)C5	706	0.001587856	0.800835183 Hartree
218	RY*(3)C5	707	0.000271447	1.427174244 Hartree
219	RY*(4)C5	708	0.000212185	1.276156248 Hartree
220	RY*(5)C5	709	0.000125020	2.029818387 Hartree
221	RY*(6)C5	710	0.000042711	2.203294271 Hartree
222	RY*(7)C5	711	0.000016540	3.482926793 Hartree
223	RY*(8)C5	712	0.000003425	2.104534819 Hartree
224	RY*(9)C5	713	0.000011164	2.201621680 Hartree
225	RY*(10)C5	714	0.000009252	2.171658092 Hartree
226	RY*(1)C6	715	0.002906212	1.199547018 Hartree
227	RY*(2)C6	716	0.001665293	0.779054841 Hartree
228	RY*(3)C6	717	0.000226370	1.344419747 Hartree
229	RY*(4)C6	718	0.000164474	1.000606398 Hartree
230	RY*(5)C6	719	0.000058187	2.083781451 Hartree
231	RY*(6)C6	720	0.000015701	1.981738049 Hartree
232	RY*(7)C6	721	0.000020217	2.060026832 Hartree
233	RY*(8)C6	722	0.000014410	2.512972246 Hartree
234	RY*(9)C6	723	0.000021327	3.831792616 Hartree
235	RY*(10)C6	724	0.000001103	1.943860113 Hartree
236	RY*(1)C7	725	0.001896359	1.189826140 Hartree
237	RY*(2)C7	726	0.001181394	0.788155099 Hartree
238	RY*(3)C7	727	0.000585840	1.093537307 Hartree
239	RY*(4)C7	728	0.000161734	1.419980007 Hartree
240	RY*(5)C7	729	0.000054601	2.068067739 Hartree
241	RY*(6)C7	730	0.000029607	1.682622976 Hartree
242	RY*(7)C7	731	0.000021112	2.410689980 Hartree
243	RY*(8)C7	732	0.000015728	2.262610722 Hartree
244	RY*(9)C7	733	0.000002619	2.003897683 Hartree
245	RY*(10)C7	734	0.000003416	3.599620824 Hartree
246	RY*(1)C8	735	0.001325148	0.786947516 Hartree
247	RY*(2)C8	736	0.000255635	0.691803640 Hartree
248	RY*(3)C8	737	0.000088214	1.723700722 Hartree
249	RY*(4)C8	738	0.000005290	1.562715945 Hartree
250	RY*(5)C8	739	0.000014242	1.893617435 Hartree
251	RY*(6)C8	740	0.000000847	3.878200676 Hartree
252	RY*(7)C8	741	0.000005577	1.131432744 Hartree
253	RY*(8)C8	742	0.000005852	2.151121850 Hartree
254	RY*(9)C8	743	0.000001801	1.892257272 Hartree
255	RY*(10)C8	744	0.000002058	1.854675928 Hartree
256	RY*(1)H9	745	0.000341154	0.656139576 Hartree
257	RY*(1)H10	746	0.000336067	0.655538452 Hartree
258	RY*(1)H11	747	0.000505155	0.666119790 Hartree
259	RY*(1)H12	748	0.000705150	0.715386881 Hartree
260	RY*(1)H13	749	0.000704852	0.627193745 Hartree
261	RY*(1)H14	750	0.000692848	0.625484741 Hartree
262	RY*(1)H15	751	0.000692848	0.625484741 Hartree
263	RY*(1)H16	752	0.000704852	0.627193745 Hartree
264	RY*(1)H17	753	0.000705150	0.715386881 Hartree
265	RY*(1)H18	754	0.000341154	0.656139576 Hartree
266	RY*(1)H19	755	0.000336067	0.655538452 Hartree
267	RY*(1)H20	756	0.000505155	0.666119790 Hartree
268	BD*(1)C1-C2		0.004259409	0.443051654 Hartree
269	BD*(1)C1-H18		0.002021133	0.428308142 Hartree
270	BD*(1)C1-H19		0.002213227	0.429756569 Hartree
271	BD*(1)C1-H20		0.003815942	0.428045129 Hartree
272	BD*(1)C2-C3		0.009471540	0.687664769 Hartree
273	BD*(1)C2-H17		0.009046540	0.470498433 Hartree
274	BD*(1)C3-C4		0.011518919	0.689248655 Hartree
275	BD*(2)C3-C4		0.042693912	0.093812421 Hartree
276	BD*(1)C3-H16		0.010085009	0.451458620 Hartree
277	BD*(1)C4-C5		0.011370367	0.693755331 Hartree
278	BD*(1)C4-H15		0.008310021	0.451384378 Hartree
279	BD*(1)C5-C6		0.011518919	0.689248655 Hartree
280	BD*(2)C5-C6		0.042693912	0.093812421 Hartree
281	BD*(1)C5-H14		0.008310021	0.451384378 Hartree
282	BD*(1)C6-C7		0.009471540	0.687664769 Hartree
283	BD*(1)C6-H13		0.010085009	0.451458620 Hartree
284	BD*(1)C7-C8		0.004259409	0.443051654 Hartree
285	BD*(1)C7-H12		0.009046540	0.470498433 Hartree
286	BD*(1)C8-H9		0.002021133	0.428308142 Hartree
287	BD*(1)C8-H10		0.002213227	0.429756569 Hartree
288	BD*(1)C8-H11		0.003815942	0.428045129 Hartree

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IN THE FIGHT BETWEEN YOU AND THE WORLD, BACK THE WORLD -- FRANZ KAFKA

WebMO Job Summary

611212: C8H12, Natural Bond Orbitals - Gaussian

Calculated Quantities

Overview

Rotational Constants

Molecular Orbitals

Natural Population Analysis

Natural Population Analysis

Natural Atomic Orbitals

Natural Hybrid Orbitals

Natural Bond Orbitals

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