WebMO Job Summary

Overview

Quantity	Value
Route	#N B3LYP/6-31G(d) SP GFINPUT POP=(FULL,NBORead) Geom=Connectivity
Stoichiometry	C₁₄H₁₃(1+)
Symmetry	CS
Basis	6-31G(d)
RB3LYP Energy	-540.948880122 Hartree
Dipole Moment	0.8241 Debye
Server	default (2753790)
CPU time	184.4 sec

Rotational Constants

Constant	Frequency (GHz)	Frequency (cm^-1)
a	1.5207814	0.05072780717
b	0.4155846	0.01386241011
c	0.3270659	0.01090974410

Molecular Orbitals

Display Range		- / 236
Orbital	Symmetry	Occupancy	Energy	Actions
1	-	2	-10.44541 Hartree
2	-	2	-10.38004 Hartree
3	-	2	-10.37802 Hartree
4	-	2	-10.36338 Hartree
5	-	2	-10.36132 Hartree
6	-	2	-10.35815 Hartree
7	-	2	-10.35640 Hartree
8	-	2	-10.35132 Hartree
9	-	2	-10.35066 Hartree
10	-	2	-10.34962 Hartree
11	-	2	-10.34902 Hartree
12	-	2	-10.34897 Hartree
13	-	2	-10.34767 Hartree
14	-	2	-10.34748 Hartree
15	-	2	-1.02199 Hartree
16	-	2	-0.99522 Hartree
17	-	2	-0.95105 Hartree
18	-	2	-0.92257 Hartree
19	-	2	-0.89714 Hartree
20	-	2	-0.88436 Hartree
21	-	2	-0.87781 Hartree
22	-	2	-0.81304 Hartree
23	-	2	-0.79060 Hartree
24	-	2	-0.75098 Hartree
25	-	2	-0.74542 Hartree
26	-	2	-0.71841 Hartree
27	-	2	-0.68721 Hartree
28	-	2	-0.65995 Hartree
29	-	2	-0.62558 Hartree
30	-	2	-0.60917 Hartree
31	-	2	-0.60366 Hartree
32	-	2	-0.59958 Hartree
33	-	2	-0.58740 Hartree
34	-	2	-0.58392 Hartree
35	-	2	-0.57963 Hartree
36	-	2	-0.55378 Hartree
37	-	2	-0.54064 Hartree
38	-	2	-0.52774 Hartree
39	-	2	-0.52294 Hartree
40	-	2	-0.52128 Hartree
41	-	2	-0.50778 Hartree
42	-	2	-0.49977 Hartree
43	-	2	-0.49470 Hartree
44	-	2	-0.44278 Hartree
45	-	2	-0.43725 Hartree
46	-	2	-0.40298 Hartree
47	-	2	-0.40018 Hartree
48	-	2	-0.39460 Hartree
49	-	0	-0.28074 Hartree
50	-	0	-0.16605 Hartree
51	-	0	-0.15956 Hartree
52	-	0	-0.15133 Hartree
53	-	0	-0.11870 Hartree
54	-	0	-0.06991 Hartree
55	-	0	-0.03291 Hartree
56	-	0	-0.02331 Hartree
57	-	0	-0.01290 Hartree
58	-	0	-0.00307 Hartree
59	-	0	-0.00248 Hartree
60	-	0	0.00170 Hartree
61	-	0	0.01846 Hartree
62	-	0	0.02842 Hartree
63	-	0	0.03423 Hartree
64	-	0	0.04076 Hartree
65	-	0	0.04419 Hartree
66	-	0	0.05259 Hartree
67	-	0	0.05532 Hartree
68	-	0	0.06982 Hartree
69	-	0	0.08424 Hartree
70	-	0	0.11378 Hartree
71	-	0	0.12348 Hartree
72	-	0	0.14408 Hartree
73	-	0	0.14776 Hartree
74	-	0	0.16463 Hartree
75	-	0	0.18049 Hartree
76	-	0	0.19076 Hartree
77	-	0	0.19624 Hartree
78	-	0	0.22610 Hartree
79	-	0	0.29727 Hartree
80	-	0	0.32106 Hartree
81	-	0	0.34474 Hartree
82	-	0	0.34784 Hartree
83	-	0	0.36714 Hartree
84	-	0	0.37570 Hartree
85	-	0	0.37722 Hartree
86	-	0	0.38467 Hartree
87	-	0	0.39062 Hartree
88	-	0	0.39277 Hartree
89	-	0	0.39546 Hartree
90	-	0	0.40049 Hartree
91	-	0	0.41327 Hartree
92	-	0	0.41789 Hartree
93	-	0	0.42270 Hartree
94	-	0	0.43435 Hartree
95	-	0	0.44122 Hartree
96	-	0	0.45583 Hartree
97	-	0	0.46063 Hartree
98	-	0	0.46192 Hartree
99	-	0	0.46603 Hartree
100	-	0	0.46924 Hartree
101	-	0	0.47273 Hartree
102	-	0	0.48276 Hartree
103	-	0	0.50360 Hartree
104	-	0	0.52420 Hartree
105	-	0	0.53362 Hartree
106	-	0	0.54294 Hartree
107	-	0	0.57259 Hartree
108	-	0	0.57544 Hartree
109	-	0	0.58073 Hartree
110	-	0	0.60388 Hartree
111	-	0	0.62797 Hartree
112	-	0	0.65907 Hartree
113	-	0	0.67175 Hartree
114	-	0	0.67755 Hartree
115	-	0	0.68804 Hartree
116	-	0	0.70276 Hartree
117	-	0	0.70353 Hartree
118	-	0	0.71188 Hartree
119	-	0	0.73247 Hartree
120	-	0	0.74550 Hartree
121	-	0	0.76447 Hartree
122	-	0	0.76826 Hartree
123	-	0	0.77512 Hartree
124	-	0	0.78437 Hartree
125	-	0	0.79645 Hartree
126	-	0	0.80443 Hartree
127	-	0	0.80974 Hartree
128	-	0	0.81557 Hartree
129	-	0	0.86854 Hartree
130	-	0	0.87987 Hartree
131	-	0	0.88262 Hartree
132	-	0	0.90260 Hartree
133	-	0	0.94301 Hartree
134	-	0	0.95090 Hartree
135	-	0	0.96111 Hartree
136	-	0	0.97987 Hartree
137	-	0	0.99539 Hartree
138	-	0	1.03034 Hartree
139	-	0	1.08025 Hartree
140	-	0	1.08215 Hartree
141	-	0	1.09636 Hartree
142	-	0	1.09738 Hartree
143	-	0	1.11862 Hartree
144	-	0	1.13262 Hartree
145	-	0	1.13732 Hartree
146	-	0	1.16970 Hartree
147	-	0	1.19598 Hartree
148	-	0	1.23797 Hartree
149	-	0	1.28146 Hartree
150	-	0	1.28371 Hartree
151	-	0	1.29715 Hartree
152	-	0	1.31381 Hartree
153	-	0	1.31443 Hartree
154	-	0	1.31647 Hartree
155	-	0	1.32676 Hartree
156	-	0	1.33110 Hartree
157	-	0	1.33445 Hartree
158	-	0	1.34752 Hartree
159	-	0	1.35205 Hartree
160	-	0	1.35418 Hartree
161	-	0	1.36306 Hartree
162	-	0	1.38174 Hartree
163	-	0	1.55347 Hartree
164	-	0	1.56299 Hartree
165	-	0	1.58037 Hartree
166	-	0	1.60377 Hartree
167	-	0	1.63306 Hartree
168	-	0	1.65360 Hartree
169	-	0	1.66641 Hartree
170	-	0	1.71266 Hartree
171	-	0	1.72143 Hartree
172	-	0	1.74122 Hartree
173	-	0	1.75365 Hartree
174	-	0	1.76139 Hartree
175	-	0	1.77841 Hartree
176	-	0	1.78746 Hartree
177	-	0	1.84085 Hartree
178	-	0	1.86105 Hartree
179	-	0	1.87342 Hartree
180	-	0	1.87870 Hartree
181	-	0	1.91364 Hartree
182	-	0	1.93112 Hartree
183	-	0	1.96092 Hartree
184	-	0	1.96609 Hartree
185	-	0	1.97130 Hartree
186	-	0	1.97214 Hartree
187	-	0	1.99946 Hartree
188	-	0	2.00725 Hartree
189	-	0	2.03024 Hartree
190	-	0	2.03961 Hartree
191	-	0	2.06371 Hartree
192	-	0	2.09668 Hartree
193	-	0	2.11399 Hartree
194	-	0	2.11764 Hartree
195	-	0	2.11932 Hartree
196	-	0	2.12362 Hartree
197	-	0	2.19360 Hartree
198	-	0	2.19995 Hartree
199	-	0	2.23924 Hartree
200	-	0	2.25473 Hartree
201	-	0	2.27053 Hartree
202	-	0	2.34960 Hartree
203	-	0	2.41316 Hartree
204	-	0	2.44272 Hartree
205	-	0	2.44613 Hartree
206	-	0	2.44686 Hartree
207	-	0	2.47497 Hartree
208	-	0	2.48090 Hartree
209	-	0	2.51105 Hartree
210	-	0	2.51133 Hartree
211	-	0	2.55710 Hartree
212	-	0	2.57349 Hartree
213	-	0	2.58938 Hartree
214	-	0	2.61091 Hartree
215	-	0	2.64868 Hartree
216	-	0	2.65595 Hartree
217	-	0	2.75757 Hartree
218	-	0	2.75935 Hartree
219	-	0	2.87689 Hartree
220	-	0	2.97039 Hartree
221	-	0	3.15884 Hartree
222	-	0	3.20858 Hartree
223	-	0	3.83386 Hartree
224	-	0	3.91090 Hartree
225	-	0	3.91863 Hartree
226	-	0	3.95688 Hartree
227	-	0	3.96215 Hartree
228	-	0	3.99281 Hartree
229	-	0	4.02283 Hartree
230	-	0	4.12390 Hartree
231	-	0	4.17203 Hartree
232	-	0	4.17652 Hartree
233	-	0	4.19662 Hartree
234	-	0	4.28856 Hartree
235	-	0	4.48807 Hartree
236	-	0	4.55141 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom	Symbol	Charge
1	C	-0.72800
2	C	0.30856
3	C	-0.13341
4	C	-0.09274
5	C	-0.21802
6	C	-0.14067
7	C	-0.22005
8	C	-0.15579
9	H	0.25742
10	H	0.27035
11	H	0.26826
12	H	0.26578
13	H	0.18498
14	C	-0.13140
15	C	-0.14668
16	C	-0.22017
17	C	-0.13813
18	C	-0.21642
19	C	-0.09217
20	H	0.18595
21	H	0.26628
22	H	0.26871
23	H	0.27088
24	H	0.25076
25	H	0.25818
26	H	0.28877
27	H	0.28877

Natural Atomic Orbitals

Display Range		- / 236
Orbital	Description	Occupancy	Energy	Actions
1	C1 Cor(1S)	1.999332486	-10.219090907 Hartree
2	C1 Val(2S)	1.115185247	-0.434564757 Hartree
3	C1 Ryd(3S)	0.000253193	1.169256979 Hartree
4	C1 Ryd(4S)	0.000008070	4.082346630 Hartree
5	C1 Val(2p)	1.055137992	-0.245592840 Hartree
6	C1 Ryd(3p)	0.001844626	0.393790118 Hartree
7	C1 Val(2p)	1.282384806	-0.257060376 Hartree
8	C1 Ryd(3p)	0.002431365	0.580249625 Hartree
9	C1 Val(2p)	1.268065398	-0.258101301 Hartree
10	C1 Ryd(3p)	0.000219364	0.478890295 Hartree
11	C1 Ryd(3d)	0.000382922	1.963456416 Hartree
12	C1 Ryd(3d)	0.000286303	1.733803334 Hartree
13	C1 Ryd(3d)	0.000785561	1.884965583 Hartree
14	C1 Ryd(3d)	0.000916403	2.072137343 Hartree
15	C1 Ryd(3d)	0.000769389	1.983368250 Hartree
16	C2 Cor(1S)	1.999215588	-10.316799389 Hartree
17	C2 Val(2S)	0.980012740	-0.419476234 Hartree
18	C2 Ryd(3S)	0.000352814	0.921741417 Hartree
19	C2 Ryd(4S)	0.000009064	3.982755351 Hartree
20	C2 Val(2p)	1.040841030	-0.241225116 Hartree
21	C2 Ryd(3p)	0.004983806	0.994121790 Hartree
22	C2 Val(2p)	1.025923513	-0.230536364 Hartree
23	C2 Ryd(3p)	0.002706405	0.758991450 Hartree
24	C2 Val(2p)	0.633116439	-0.288041354 Hartree
25	C2 Ryd(3p)	0.000917608	0.505786957 Hartree
26	C2 Ryd(3d)	0.001023543	2.157350180 Hartree
27	C2 Ryd(3d)	0.000526865	1.664985217 Hartree
28	C2 Ryd(3d)	0.000617572	1.665730882 Hartree
29	C2 Ryd(3d)	0.000829674	2.156637874 Hartree
30	C2 Ryd(3d)	0.000368227	2.083728161 Hartree
31	C3 Cor(1S)	1.998993833	-10.233194811 Hartree
32	C3 Val(2S)	0.902083542	-0.328375554 Hartree
33	C3 Ryd(3S)	0.000537278	0.887850020 Hartree
34	C3 Ryd(4S)	0.000052247	4.058814240 Hartree
35	C3 Val(2p)	1.094983413	-0.224431545 Hartree
36	C3 Ryd(3p)	0.005052752	0.989000889 Hartree
37	C3 Val(2p)	1.069774920	-0.227712332 Hartree
38	C3 Ryd(3p)	0.004775423	1.009080814 Hartree
39	C3 Val(2p)	1.054034399	-0.271799419 Hartree
40	C3 Ryd(3p)	0.000256497	0.542149947 Hartree
41	C3 Ryd(3d)	0.000843849	2.258792986 Hartree
42	C3 Ryd(3d)	0.000543267	1.741822375 Hartree
43	C3 Ryd(3d)	0.000356458	1.720919730 Hartree
44	C3 Ryd(3d)	0.000747850	2.329314835 Hartree
45	C3 Ryd(3d)	0.000374899	2.181674383 Hartree
46	C4 Cor(1S)	1.998996536	-10.205791796 Hartree
47	C4 Val(2S)	0.961498832	-0.306523357 Hartree
48	C4 Ryd(3S)	0.001377091	0.928709769 Hartree
49	C4 Ryd(4S)	0.000048842	4.033821667 Hartree
50	C4 Val(2p)	1.065994506	-0.174395489 Hartree
51	C4 Ryd(3p)	0.004130765	0.878005922 Hartree
52	C4 Val(2p)	1.117309957	-0.182074762 Hartree
53	C4 Ryd(3p)	0.004798190	1.001294965 Hartree
54	C4 Val(2p)	0.935638202	-0.261745317 Hartree
55	C4 Ryd(3p)	0.000472509	0.489576386 Hartree
56	C4 Ryd(3d)	0.000645220	2.269535315 Hartree
57	C4 Ryd(3d)	0.000433874	1.745801340 Hartree
58	C4 Ryd(3d)	0.000334063	1.660872800 Hartree
59	C4 Ryd(3d)	0.000666046	2.317748284 Hartree
60	C4 Ryd(3d)	0.000398611	2.154169370 Hartree
61	C5 Cor(1S)	1.999160460	-10.208971150 Hartree
62	C5 Val(2S)	0.989357305	-0.339893853 Hartree
63	C5 Ryd(3S)	0.000617183	1.070376365 Hartree
64	C5 Ryd(4S)	0.000021462	3.875975341 Hartree
65	C5 Val(2p)	1.209310647	-0.204279779 Hartree
66	C5 Ryd(3p)	0.005599832	0.974507121 Hartree
67	C5 Val(2p)	1.045041439	-0.184163931 Hartree
68	C5 Ryd(3p)	0.004141062	0.558228491 Hartree
69	C5 Val(2p)	0.961659735	-0.249584752 Hartree
70	C5 Ryd(3p)	0.000381813	0.485656713 Hartree
71	C5 Ryd(3d)	0.000648091	2.244074483 Hartree
72	C5 Ryd(3d)	0.000346876	1.640209830 Hartree
73	C5 Ryd(3d)	0.000373921	1.777735238 Hartree
74	C5 Ryd(3d)	0.000928059	2.219676809 Hartree
75	C5 Ryd(3d)	0.000435077	2.135473869 Hartree
76	C6 Cor(1S)	1.999150439	-10.216666590 Hartree
77	C6 Val(2S)	0.997997732	-0.347417376 Hartree
78	C6 Ryd(3S)	0.000485641	1.010015363 Hartree
79	C6 Ryd(4S)	0.000028820	3.910603001 Hartree
80	C6 Val(2p)	1.087443473	-0.189699321 Hartree
81	C6 Ryd(3p)	0.004314473	0.661288815 Hartree
82	C6 Val(2p)	1.168901306	-0.199453120 Hartree
83	C6 Ryd(3p)	0.004956805	0.867860931 Hartree
84	C6 Val(2p)	0.874196204	-0.248556092 Hartree
85	C6 Ryd(3p)	0.000282324	0.484209896 Hartree
86	C6 Ryd(3d)	0.000877083	2.191382076 Hartree
87	C6 Ryd(3d)	0.000467678	1.737073507 Hartree
88	C6 Ryd(3d)	0.000392393	1.668663737 Hartree
89	C6 Ryd(3d)	0.000735556	2.206579961 Hartree
90	C6 Ryd(3d)	0.000440942	2.106256893 Hartree
91	C7 Cor(1S)	1.999167117	-10.209648315 Hartree
92	C7 Val(2S)	0.989765407	-0.340776420 Hartree
93	C7 Ryd(3S)	0.000611974	1.018955662 Hartree
94	C7 Ryd(4S)	0.000024806	3.914310654 Hartree
95	C7 Val(2p)	1.087830767	-0.191253644 Hartree
96	C7 Ryd(3p)	0.004809032	0.664749063 Hartree
97	C7 Val(2p)	1.164413835	-0.197630640 Hartree
98	C7 Ryd(3p)	0.005216332	0.867668337 Hartree
99	C7 Val(2p)	0.965070538	-0.249009533 Hartree
100	C7 Ryd(3p)	0.000421627	0.485871696 Hartree
101	C7 Ryd(3d)	0.000828148	2.196945198 Hartree
102	C7 Ryd(3d)	0.000372596	1.742581413 Hartree
103	C7 Ryd(3d)	0.000371642	1.674533744 Hartree
104	C7 Ryd(3d)	0.000708021	2.210202743 Hartree
105	C7 Ryd(3d)	0.000440254	2.114956315 Hartree
106	C8 Cor(1S)	1.999085292	-10.217522359 Hartree
107	C8 Val(2S)	0.973655324	-0.339300230 Hartree
108	C8 Ryd(3S)	0.000556086	1.019469511 Hartree
109	C8 Ryd(4S)	0.000036504	3.919407469 Hartree
110	C8 Val(2p)	1.203036770	-0.214872617 Hartree
111	C8 Ryd(3p)	0.004659978	0.978402206 Hartree
112	C8 Val(2p)	1.047049076	-0.192085508 Hartree
113	C8 Ryd(3p)	0.003614304	0.639093180 Hartree
114	C8 Val(2p)	0.920836416	-0.258884885 Hartree
115	C8 Ryd(3p)	0.000456672	0.481968861 Hartree
116	C8 Ryd(3d)	0.000639391	2.256493167 Hartree
117	C8 Ryd(3d)	0.000293722	1.638444857 Hartree
118	C8 Ryd(3d)	0.000520954	1.770245469 Hartree
119	C8 Ryd(3d)	0.000907337	2.211812101 Hartree
120	C8 Ryd(3d)	0.000447064	2.132110057 Hartree
121	H9 Val(1S)	0.741701193	-0.049069094 Hartree
122	H9 Ryd(2S)	0.000873879	0.497544932 Hartree
123	H10 Val(1S)	0.729044051	-0.022545488 Hartree
124	H10 Ryd(2S)	0.000603122	0.439617374 Hartree
125	H11 Val(1S)	0.731100188	-0.025093867 Hartree
126	H11 Ryd(2S)	0.000637013	0.437687355 Hartree
127	H12 Val(1S)	0.733579823	-0.027733844 Hartree
128	H12 Ryd(2S)	0.000636154	0.432006365 Hartree
129	H13 Val(1S)	0.811721339	0.123517344 Hartree
130	H13 Ryd(2S)	0.003299354	0.610763410 Hartree
131	C14 Cor(1S)	1.998985295	-10.235104351 Hartree
132	C14 Val(2S)	0.902873869	-0.330344217 Hartree
133	C14 Ryd(3S)	0.000535102	0.883492212 Hartree
134	C14 Ryd(4S)	0.000052300	4.057601632 Hartree
135	C14 Val(2p)	1.095526140	-0.226344459 Hartree
136	C14 Ryd(3p)	0.005086086	0.991195057 Hartree
137	C14 Val(2p)	1.069960292	-0.228191924 Hartree
138	C14 Ryd(3p)	0.004758542	1.010454917 Hartree
139	C14 Val(2p)	1.050494128	-0.272970812 Hartree
140	C14 Ryd(3p)	0.000255403	0.537052132 Hartree
141	C14 Ryd(3d)	0.000855581	2.264400877 Hartree
142	C14 Ryd(3d)	0.000552516	1.740263320 Hartree
143	C14 Ryd(3d)	0.000347652	1.717158118 Hartree
144	C14 Ryd(3d)	0.000741744	2.327523207 Hartree
145	C14 Ryd(3d)	0.000374527	2.176783134 Hartree
146	C15 Cor(1S)	1.999078567	-10.219201763 Hartree
147	C15 Val(2S)	0.971533110	-0.339156218 Hartree
148	C15 Ryd(3S)	0.000541918	1.017110822 Hartree
149	C15 Ryd(4S)	0.000037055	3.920891613 Hartree
150	C15 Val(2p)	1.198461913	-0.215241475 Hartree
151	C15 Ryd(3p)	0.004644217	0.983183925 Hartree
152	C15 Val(2p)	1.048181615	-0.193976683 Hartree
153	C15 Ryd(3p)	0.003522023	0.631067865 Hartree
154	C15 Val(2p)	0.917458898	-0.260712311 Hartree
155	C15 Ryd(3p)	0.000443846	0.481450541 Hartree
156	C15 Ryd(3d)	0.000631376	2.254125185 Hartree
157	C15 Ryd(3d)	0.000286322	1.636080442 Hartree
158	C15 Ryd(3d)	0.000524406	1.768302001 Hartree
159	C15 Ryd(3d)	0.000889143	2.211753274 Hartree
160	C15 Ryd(3d)	0.000445525	2.133867714 Hartree
161	C16 Cor(1S)	1.999163968	-10.210880096 Hartree
162	C16 Val(2S)	0.989507176	-0.341849175 Hartree
163	C16 Ryd(3S)	0.000608226	1.018581858 Hartree
164	C16 Ryd(4S)	0.000023940	3.908957382 Hartree
165	C16 Val(2p)	1.087657696	-0.192513038 Hartree
166	C16 Ryd(3p)	0.004799323	0.663117984 Hartree
167	C16 Val(2p)	1.164493366	-0.199059721 Hartree
168	C16 Ryd(3p)	0.005238705	0.865412745 Hartree
169	C16 Val(2p)	0.965542990	-0.250324338 Hartree
170	C16 Ryd(3p)	0.000418984	0.484792790 Hartree
171	C16 Ryd(3d)	0.000829196	2.194792700 Hartree
172	C16 Ryd(3d)	0.000368890	1.741286722 Hartree
173	C16 Ryd(3d)	0.000371617	1.673036390 Hartree
174	C16 Ryd(3d)	0.000707325	2.210126908 Hartree
175	C16 Ryd(3d)	0.000441261	2.112333433 Hartree
176	C17 Cor(1S)	1.999150627	-10.218409455 Hartree
177	C17 Val(2S)	0.998425727	-0.349148907 Hartree
178	C17 Ryd(3S)	0.000484865	1.009453157 Hartree
179	C17 Ryd(4S)	0.000028633	3.908063407 Hartree
180	C17 Val(2p)	1.087436081	-0.191118505 Hartree
181	C17 Ryd(3p)	0.004317604	0.659882576 Hartree
182	C17 Val(2p)	1.169020499	-0.200958872 Hartree
183	C17 Ryd(3p)	0.004952968	0.866425847 Hartree
184	C17 Val(2p)	0.871121544	-0.249970519 Hartree
185	C17 Ryd(3p)	0.000276579	0.482909631 Hartree
186	C17 Ryd(3d)	0.000878736	2.189800870 Hartree
187	C17 Ryd(3d)	0.000468678	1.735475884 Hartree
188	C17 Ryd(3d)	0.000393433	1.667005381 Hartree
189	C17 Ryd(3d)	0.000735481	2.205026387 Hartree
190	C17 Ryd(3d)	0.000440932	2.104668649 Hartree
191	C18 Cor(1S)	1.999160785	-10.210540209 Hartree
192	C18 Val(2S)	0.989832874	-0.341513822 Hartree
193	C18 Ryd(3S)	0.000614943	1.068923420 Hartree
194	C18 Ryd(4S)	0.000021701	3.874938837 Hartree
195	C18 Val(2p)	1.209650456	-0.205707263 Hartree
196	C18 Ryd(3p)	0.005606433	0.973247324 Hartree
197	C18 Val(2p)	1.044940182	-0.185486213 Hartree
198	C18 Ryd(3p)	0.004136687	0.556881548 Hartree
199	C18 Val(2p)	0.959356449	-0.250900373 Hartree
200	C18 Ryd(3p)	0.000367826	0.484465491 Hartree
201	C18 Ryd(3d)	0.000649181	2.243827393 Hartree
202	C18 Ryd(3d)	0.000348682	1.638723675 Hartree
203	C18 Ryd(3d)	0.000374046	1.776205784 Hartree
204	C18 Ryd(3d)	0.000928973	2.218214062 Hartree
205	C18 Ryd(3d)	0.000435185	2.133832950 Hartree
206	C19 Cor(1S)	1.998994508	-10.206802403 Hartree
207	C19 Val(2S)	0.961716586	-0.307678999 Hartree
208	C19 Ryd(3S)	0.001379776	0.928011871 Hartree
209	C19 Ryd(4S)	0.000049304	4.032488394 Hartree
210	C19 Val(2p)	1.065492592	-0.175400656 Hartree
211	C19 Ryd(3p)	0.004126333	0.877263100 Hartree
212	C19 Val(2p)	1.118047661	-0.183218880 Hartree
213	C19 Ryd(3p)	0.004806097	1.004285786 Hartree
214	C19 Val(2p)	0.934602272	-0.262702074 Hartree
215	C19 Ryd(3p)	0.000490915	0.488951480 Hartree
216	C19 Ryd(3d)	0.000644137	2.269366517 Hartree
217	C19 Ryd(3d)	0.000419487	1.744202136 Hartree
218	C19 Ryd(3d)	0.000335550	1.659637718 Hartree
219	C19 Ryd(3d)	0.000669178	2.317004437 Hartree
220	C19 Ryd(3d)	0.000398996	2.154064836 Hartree
221	H20 Val(1S)	0.810763168	0.123316637 Hartree
222	H20 Ryd(2S)	0.003290411	0.609286679 Hartree
223	H21 Val(1S)	0.733081934	-0.028605454 Hartree
224	H21 Ryd(2S)	0.000634617	0.430941168 Hartree
225	H22 Val(1S)	0.730648452	-0.026157966 Hartree
226	H22 Ryd(2S)	0.000638245	0.436593385 Hartree
227	H23 Val(1S)	0.728510628	-0.023391429 Hartree
228	H23 Ryd(2S)	0.000604946	0.438276888 Hartree
229	H24 Val(1S)	0.748496975	-0.048311413 Hartree
230	H24 Ryd(2S)	0.000738571	0.521638097 Hartree
231	H25 Val(1S)	0.741278066	-0.049432395 Hartree
232	H25 Ryd(2S)	0.000542692	0.611893223 Hartree
233	H26 Val(1S)	0.710658405	-0.053963726 Hartree
234	H26 Ryd(2S)	0.000566855	0.522720611 Hartree
235	H27 Val(1S)	0.710658405	-0.053963726 Hartree
236	H27 Ryd(2S)	0.000566855	0.522720611 Hartree

Natural Hybrid Orbitals

Display Range		- / 236
Orbital	Description	Occupancy	Energy	Actions
1	BD(1)C1(C2) 1s(24.67%)p3.05(75.27%)d0.00(0.06%)	0.960702169	-0.272609016 Hartree
2	BD(1)C2(C1) 2s(33.46%)p1.99(66.50%)d0.00(0.05%)	1.036785417	-0.312057172 Hartree
3	BD(1)C1(H25) 1s(25.68%)p2.89(74.26%)d0.00(0.06%)	1.252312712	-0.295189246 Hartree
4	BD(1)H25(C1) 25s(100.00%)	0.741278052	-0.049352745 Hartree
5	BD(1)C1(H26) 1s(24.80%)p3.03(75.14%)d0.00(0.06%)	1.256322333	-0.305069932 Hartree
6	BD(1)H26(C1) 26s(100.00%)	0.710658317	-0.053754676 Hartree
7	BD(1)C1(H27) 1s(24.80%)p3.03(75.14%)d0.00(0.06%)	1.256322333	-0.305069932 Hartree
8	BD(1)H27(C1) 27s(100.00%)	0.710658317	-0.053754676 Hartree
9	BD(1)C2(C3) 2s(33.25%)p2.01(66.70%)d0.00(0.05%)	1.006467826	-0.287481277 Hartree
10	BD(1)C3(C2) 3s(29.53%)p2.38(70.42%)d0.00(0.05%)	1.001707309	-0.281205089 Hartree
11	BD(1)C2(C14) 2s(33.25%)p2.01(66.70%)d0.00(0.05%)	1.005113060	-0.286589400 Hartree
12	BD(1)C14(C2) 14s(29.55%)p2.38(70.40%)d0.00(0.05%)	1.003032066	-0.282271236 Hartree
13	BD(1)C3(C4) 3s(34.94%)p1.86(65.02%)d0.00(0.04%)	1.031898729	-0.245707102 Hartree
14	BD(1)C4(C3) 4s(34.01%)p1.94(65.94%)d0.00(0.05%)	0.966482828	-0.206845698 Hartree
15	BD(1)C3(C8) 3s(35.49%)p1.82(64.47%)d0.00(0.04%)	1.034579218	-0.248736765 Hartree
16	BD(1)C8(C3) 8s(33.96%)p1.94(66.00%)d0.00(0.05%)	0.964960532	-0.207605637 Hartree
17	BD(2)C3(C8) 3s(0.00%)p1.00(99.99%)d0.00(0.01%)	1.053922139	-0.271100895 Hartree
18	BD(2)C8(C3) 8s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.920891848	-0.257455564 Hartree
19	BD(1)C4(C5) 4s(35.09%)p1.85(64.88%)d0.00(0.03%)	1.007090029	-0.214796248 Hartree
20	BD(1)C5(C4) 5s(34.33%)p1.91(65.63%)d0.00(0.04%)	0.987430705	-0.206149044 Hartree
21	BD(2)C4(C5) 4s(0.00%)p1.00(99.97%)d0.00(0.03%)	0.935762881	-0.260926585 Hartree
22	BD(2)C5(C4) 5s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.962032047	-0.249581753 Hartree
23	BD(1)C4(H13) 4s(30.85%)p2.24(69.11%)d0.00(0.04%)	1.174888918	-0.226750743 Hartree
24	BD(1)H13(C4) 13s(100.00%)	0.811629475	0.119463800 Hartree
25	BD(1)C5(C6) 5s(34.43%)p1.90(65.53%)d0.00(0.04%)	1.000113510	-0.215883357 Hartree
26	BD(1)C6(C5) 6s(34.51%)p1.90(65.44%)d0.00(0.04%)	0.998174254	-0.214114689 Hartree
27	BD(1)C5(H12) 5s(31.20%)p2.20(68.74%)d0.00(0.05%)	1.260225416	-0.289355310 Hartree
28	BD(1)H12(C5) 12s(100.00%)	0.733578159	-0.026930644 Hartree
29	BD(1)C6(C7) 6s(34.52%)p1.90(65.44%)d0.00(0.04%)	0.997725962	-0.214286395 Hartree
30	BD(1)C7(C6) 7s(34.45%)p1.90(65.51%)d0.00(0.04%)	0.999796162	-0.215277787 Hartree
31	BD(2)C6(C7) 6s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.874536029	-0.248463351 Hartree
32	BD(2)C7(C6) 7s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.965503452	-0.249294694 Hartree
33	BD(1)C6(H11) 6s(30.93%)p2.23(69.02%)d0.00(0.05%)	1.262768375	-0.290991747 Hartree
34	BD(1)H11(C6) 11s(100.00%)	0.731098415	-0.024255912 Hartree
35	BD(1)C7(C8) 7s(34.24%)p1.92(65.71%)d0.00(0.04%)	0.982511155	-0.208189106 Hartree
36	BD(1)C8(C7) 8s(35.24%)p1.84(64.72%)d0.00(0.04%)	1.011735082	-0.222636811 Hartree
37	BD(1)C7(H10) 7s(31.27%)p2.20(68.67%)d0.00(0.05%)	1.264130375	-0.288583687 Hartree
38	BD(1)H10(C7) 10s(100.00%)	0.729042667	-0.021803150 Hartree
39	BD(1)C8(H9) 8s(30.75%)p2.25(69.19%)d0.00(0.06%)	1.250663313	-0.300282682 Hartree
40	BD(1)H9(C8) 9s(100.00%)	0.741700183	-0.048432591 Hartree
41	BD(1)C14(C15) 14s(35.47%)p1.82(64.49%)d0.00(0.04%)	1.034171740	-0.250248452 Hartree
42	BD(1)C15(C14) 15s(33.83%)p1.95(66.13%)d0.00(0.05%)	0.965659442	-0.209542563 Hartree
43	BD(2)C14(C15) 14s(0.00%)p1.00(99.99%)d0.00(0.01%)	1.050376845	-0.272312559 Hartree
44	BD(2)C15(C14) 15s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.917501232	-0.259232875 Hartree
45	BD(1)C14(C19) 14s(34.93%)p1.86(65.03%)d0.00(0.04%)	1.032491754	-0.247556718 Hartree
46	BD(1)C19(C14) 19s(33.98%)p1.94(65.97%)d0.00(0.05%)	0.965526221	-0.207864416 Hartree
47	BD(1)C15(C16) 15s(35.31%)p1.83(64.65%)d0.00(0.04%)	1.012413793	-0.224463006 Hartree
48	BD(1)C16(C15) 16s(34.23%)p1.92(65.72%)d0.00(0.04%)	0.981722518	-0.209232373 Hartree
49	BD(1)C15(H24) 15s(30.81%)p2.24(69.14%)d0.00(0.05%)	1.243718462	-0.299317328 Hartree
50	BD(1)H24(C15) 24s(100.00%)	0.748495527	-0.047582941 Hartree
51	BD(1)C16(C17) 16s(34.44%)p1.90(65.52%)d0.00(0.04%)	0.999693883	-0.216672721 Hartree
52	BD(1)C17(C16) 17s(34.52%)p1.90(65.43%)d0.00(0.04%)	0.997712598	-0.215714587 Hartree
53	BD(2)C16(C17) 16s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.965976305	-0.250592206 Hartree
54	BD(2)C17(C16) 17s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.871460864	-0.249864242 Hartree
55	BD(1)C16(H23) 16s(31.29%)p2.19(68.65%)d0.00(0.05%)	1.264657311	-0.289943811 Hartree
56	BD(1)H23(C16) 23s(100.00%)	0.728509208	-0.022639872 Hartree
57	BD(1)C17(C18) 17s(34.51%)p1.90(65.45%)d0.00(0.04%)	0.998316998	-0.215780081 Hartree
58	BD(1)C18(C17) 18s(34.40%)p1.91(65.55%)d0.00(0.04%)	1.000031073	-0.217437899 Hartree
59	BD(1)C17(H22) 17s(30.93%)p2.23(69.01%)d0.00(0.05%)	1.263183002	-0.292566741 Hartree
60	BD(1)H22(C17) 22s(100.00%)	0.730646659	-0.025314816 Hartree
61	BD(1)C18(C19) 18s(34.34%)p1.91(65.62%)d0.00(0.04%)	0.987757294	-0.207531547 Hartree
62	BD(1)C19(C18) 19s(35.07%)p1.85(64.90%)d0.00(0.03%)	1.006786598	-0.215825289 Hartree
63	BD(2)C18(C19) 18s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.959728529	-0.250894442 Hartree
64	BD(2)C19(C18) 19s(0.00%)p1.00(99.97%)d0.00(0.03%)	0.934732173	-0.261891327 Hartree
65	BD(1)C18(H21) 18s(31.22%)p2.20(68.73%)d0.00(0.05%)	1.260701770	-0.290807074 Hartree
66	BD(1)H21(C18) 21s(100.00%)	0.733080251	-0.027797621 Hartree
67	BD(1)C19(H20) 19s(30.90%)p2.23(69.05%)d0.00(0.04%)	1.176622413	-0.227994926 Hartree
68	BD(1)H20(C19) 20s(100.00%)	0.810671832	0.119275255 Hartree
69	CR(1)C1 s(100.00%)p0.00(0.00%)	1.999332381	-10.219099179 Hartree
70	CR(1)C2 s(100.00%)p0.00(0.00%)	1.999215824	-10.316948660 Hartree
71	CR(1)C3 s(100.00%)	1.998993005	-10.233629468 Hartree
72	CR(1)C4 s(100.00%)p0.00(0.00%)	1.998985746	-10.205462256 Hartree
73	CR(1)C5 s(100.00%)p0.00(0.00%)	1.999162944	-10.209280424 Hartree
74	CR(1)C6 s(100.00%)p0.00(0.00%)	1.999152757	-10.217019194 Hartree
75	CR(1)C7 s(100.00%)p0.00(0.00%)	1.999169460	-10.209965408 Hartree
76	CR(1)C8 s(100.00%)p0.00(0.00%)	1.999088000	-10.217913612 Hartree
77	CR(1)C14 s(100.00%)	1.998984287	-10.235529194 Hartree
78	CR(1)C15 s(100.00%)p0.00(0.00%)	1.999080602	-10.219575702 Hartree
79	CR(1)C16 s(100.00%)p0.00(0.00%)	1.999166317	-10.211200170 Hartree
80	CR(1)C17 s(100.00%)p0.00(0.00%)	1.999152945	-10.218761323 Hartree
81	CR(1)C18 s(100.00%)p0.00(0.00%)	1.999163265	-10.210849978 Hartree
82	CR(1)C19 s(100.00%)p0.00(0.00%)	1.998983852	-10.206474817 Hartree
83	LP*(1)C2 s(0.00%)p1.00(99.99%)d0.00(0.01%)	0.633273320	-0.286965387 Hartree
84	RY*(1)C1 s(0.02%)p99.99(93.19%)d99.99(6.79%)	0.002028614	0.700113239 Hartree
85	RY*(2)C1 s(13.14%)p6.53(85.80%)d0.08(1.06%)	0.000479904	0.522982436 Hartree
86	RY*(3)C1 s(0.00%)p1.00(54.73%)d0.83(45.27%)	0.000352850	1.104881578 Hartree
87	RY*(4)C1 s(35.58%)p0.30(10.82%)d1.51(53.60%)	0.000048695	1.553999594 Hartree
88	RY*(5)C1 s(0.00%)p1.00(39.78%)d1.51(60.22%)	0.000049572	1.307682003 Hartree
89	RY*(6)C1 s(3.79%)p0.19(0.73%)d25.22(95.49%)	0.000016375	2.028542396 Hartree
90	RY*(7)C1 s(49.66%)p0.17(8.42%)d0.84(41.92%)	0.000015296	1.449160743 Hartree
91	RY*(8)C1 s(0.00%)p1.00(5.56%)d16.98(94.44%)	0.000005592	1.680687711 Hartree
92	RY*(9)C1 s(97.65%)p0.01(0.83%)d0.02(1.51%)	0.000006074	4.002614863 Hartree
93	RY*(10)C1 s(0.20%)p1.58(0.32%)d99.99(99.47%)	0.000008225	1.974227134 Hartree
94	RY*(1)C2 s(0.14%)p99.99(94.84%)d35.47(5.02%)	0.005089723	1.089623097 Hartree
95	RY*(2)C2 s(0.11%)p99.99(93.33%)d59.32(6.56%)	0.002874275	0.876040075 Hartree
96	RY*(3)C2 s(0.00%)p1.00(65.19%)d0.53(34.81%)	0.001211467	0.908487225 Hartree
97	RY*(4)C2 s(0.00%)p1.00(1.08%)d91.40(98.92%)	0.000613325	1.653199898 Hartree
98	RY*(5)C2 s(77.66%)p0.03(1.97%)d0.26(20.37%)	0.000379561	1.101993461 Hartree
99	RY*(6)C2 s(18.50%)p0.26(4.75%)d4.15(76.76%)	0.000254347	1.839903425 Hartree
100	RY*(7)C2 s(0.00%)p1.00(33.74%)d1.96(66.26%)	0.000080372	1.273739967 Hartree
101	RY*(8)C2 s(1.48%)p3.42(5.06%)d63.09(93.46%)	0.000060973	2.018512913 Hartree
102	RY*(9)C2 s(99.88%)p0.00(0.00%)d0.00(0.11%)	0.000009005	3.978936337 Hartree
103	RY*(10)C2 s(2.27%)p0.07(0.15%)d42.89(97.58%)	0.000016393	2.145356319 Hartree
104	RY*(1)C3 s(1.24%)p75.98(94.32%)d3.57(4.44%)	0.005280856	1.084630420 Hartree
105	RY*(2)C3 s(2.01%)p45.48(91.34%)d3.31(6.66%)	0.005098488	1.121566772 Hartree
106	RY*(3)C3 s(0.00%)p1.00(0.13%)d99.99(99.87%)	0.000777360	1.747789174 Hartree
107	RY*(4)C3 s(91.86%)p0.04(3.88%)d0.05(4.26%)	0.000386370	0.931974802 Hartree
108	RY*(5)C3 s(0.00%)p1.00(54.59%)d0.83(45.41%)	0.000279519	1.077639091 Hartree
109	RY*(6)C3 s(0.00%)p1.00(45.29%)d1.21(54.71%)	0.000211602	1.178765263 Hartree
110	RY*(7)C3 s(4.71%)p0.77(3.62%)d19.45(91.67%)	0.000121319	2.171939787 Hartree
111	RY*(8)C3 s(0.40%)p17.07(6.91%)d99.99(92.69%)	0.000086471	2.151754041 Hartree
112	RY*(9)C3 s(77.28%)p0.00(0.02%)d0.29(22.70%)	0.000055654	3.672838961 Hartree
113	RY*(10)C3 s(22.54%)p0.00(0.01%)d3.44(77.46%)	0.000012586	2.575387566 Hartree
114	RY*(1)C4 s(2.13%)p43.94(93.57%)d2.02(4.30%)	0.004987379	1.146543945 Hartree
115	RY*(2)C4 s(0.04%)p99.99(97.63%)d60.59(2.33%)	0.002291167	0.858629535 Hartree
116	RY*(3)C4 s(89.58%)p0.01(0.98%)d0.11(9.45%)	0.000931877	1.002976985 Hartree
117	RY*(4)C4 s(0.00%)p1.00(40.34%)d1.48(59.66%)	0.000772181	1.243690731 Hartree
118	RY*(5)C4 s(0.00%)p1.00(47.30%)d1.11(52.70%)	0.000340420	1.119267984 Hartree
119	RY*(6)C4 s(7.22%)p0.26(1.85%)d12.59(90.93%)	0.000100973	2.242360890 Hartree
120	RY*(7)C4 s(75.24%)p0.00(0.09%)d0.33(24.68%)	0.000046372	3.630008395 Hartree
121	RY*(8)C4 s(2.07%)p2.79(5.79%)d44.49(92.14%)	0.000050914	2.144512522 Hartree
122	RY*(9)C4 s(0.00%)p1.00(12.39%)d7.07(87.61%)	0.000003166	1.532473080 Hartree
123	RY*(10)C4 s(23.77%)p0.01(0.18%)d3.20(76.05%)	0.000008393	2.543322561 Hartree
124	RY*(1)C5 s(0.58%)p99.99(92.30%)d12.34(7.12%)	0.005146133	1.123055357 Hartree
125	RY*(2)C5 s(0.44%)p99.99(98.30%)d2.91(1.27%)	0.002752803	0.577208828 Hartree
126	RY*(3)C5 s(0.00%)p1.00(7.67%)d12.03(92.33%)	0.000431618	1.677801900 Hartree
127	RY*(4)C5 s(0.00%)p1.00(81.77%)d0.22(18.23%)	0.000295324	0.678520542 Hartree
128	RY*(5)C5 s(93.48%)p0.00(0.36%)d0.07(6.16%)	0.000258352	1.082535549 Hartree
129	RY*(6)C5 s(3.12%)p0.56(1.75%)d30.50(95.13%)	0.000107074	2.173403962 Hartree
130	RY*(7)C5 s(37.60%)p0.05(1.75%)d1.61(60.65%)	0.000040642	2.957838755 Hartree
131	RY*(8)C5 s(52.66%)p0.07(3.68%)d0.83(43.66%)	0.000009348	2.885181818 Hartree
132	RY*(9)C5 s(12.16%)p0.16(1.96%)d7.06(85.88%)	0.000013691	2.262447635 Hartree
133	RY*(10)C5 s(0.00%)p1.00(10.59%)d8.44(89.41%)	0.000003356	1.547276341 Hartree
134	RY*(1)C6 s(0.43%)p99.99(91.72%)d18.47(7.85%)	0.004668792	1.125863734 Hartree
135	RY*(2)C6 s(0.01%)p99.99(98.47%)d99.99(1.52%)	0.002507268	0.576829607 Hartree
136	RY*(3)C6 s(0.00%)p1.00(0.02%)d99.99(99.98%)	0.000598242	1.771060803 Hartree
137	RY*(4)C6 s(0.00%)p1.00(85.41%)d0.17(14.59%)	0.000204067	0.620066536 Hartree
138	RY*(5)C6 s(92.95%)p0.00(0.04%)d0.08(7.01%)	0.000174679	0.935652805 Hartree
139	RY*(6)C6 s(0.28%)p5.62(1.59%)d99.99(98.13%)	0.000099101	2.177603288 Hartree
140	RY*(7)C6 s(58.70%)p0.01(0.29%)d0.70(41.01%)	0.000042144	3.335315863 Hartree
141	RY*(8)C6 s(6.94%)p1.15(7.98%)d12.25(85.08%)	0.000014217	1.958532954 Hartree
142	RY*(9)C6 s(0.00%)p1.00(14.63%)d5.84(85.37%)	0.000000262	1.498727060 Hartree
143	RY*(10)C6 s(40.72%)p0.00(0.01%)d1.46(59.27%)	0.000004721	2.827364408 Hartree
144	RY*(1)C7 s(0.41%)p99.99(92.97%)d16.06(6.62%)	0.005020556	1.106510362 Hartree
145	RY*(2)C7 s(0.17%)p99.99(98.45%)d8.30(1.39%)	0.002798307	0.578899859 Hartree
146	RY*(3)C7 s(0.00%)p1.00(1.05%)d94.26(98.95%)	0.000425117	1.763867568 Hartree
147	RY*(4)C7 s(0.00%)p1.00(87.67%)d0.14(12.33%)	0.000307691	0.600534466 Hartree
148	RY*(5)C7 s(94.54%)p0.00(0.11%)d0.06(5.35%)	0.000246171	0.993687208 Hartree
149	RY*(6)C7 s(2.32%)p0.65(1.52%)d41.39(96.16%)	0.000085379	2.159708077 Hartree
150	RY*(7)C7 s(49.06%)p0.01(0.71%)d1.02(50.23%)	0.000041511	3.168222953 Hartree
151	RY*(8)C7 s(9.55%)p0.66(6.34%)d8.81(84.11%)	0.000011110	2.052219746 Hartree
152	RY*(9)C7 s(0.00%)p1.00(11.33%)d7.83(88.67%)	0.000000144	1.538869980 Hartree
153	RY*(10)C7 s(43.99%)p0.00(0.00%)d1.27(56.01%)	0.000005508	2.911246735 Hartree
154	RY*(1)C8 s(0.02%)p99.99(92.67%)d99.99(7.32%)	0.004315155	1.114962105 Hartree
155	RY*(2)C8 s(1.15%)p83.80(96.62%)d1.93(2.23%)	0.002526031	0.680357931 Hartree
156	RY*(3)C8 s(0.00%)p1.00(37.31%)d1.68(62.69%)	0.000914023	1.281811093 Hartree
157	RY*(4)C8 s(0.00%)p1.00(53.29%)d0.88(46.71%)	0.000292934	1.044239909 Hartree
158	RY*(5)C8 s(97.41%)p0.01(1.11%)d0.02(1.48%)	0.000237122	0.925830283 Hartree
159	RY*(6)C8 s(2.05%)p1.20(2.47%)d46.57(95.48%)	0.000081935	2.239224894 Hartree
160	RY*(7)C8 s(63.28%)p0.00(0.24%)d0.58(36.47%)	0.000039663	3.349780553 Hartree
161	RY*(8)C8 s(1.20%)p5.68(6.83%)d76.54(91.97%)	0.000031738	2.081341456 Hartree
162	RY*(9)C8 s(0.00%)p1.00(9.44%)d9.59(90.56%)	0.000008961	1.563178864 Hartree
163	RY*(10)C8 s(34.94%)p0.00(0.15%)d1.86(64.91%)	0.000008553	2.749948496 Hartree
164	RY*(1)H9 s(100.00%)	0.000874889	0.496908429 Hartree
165	RY*(1)H10 s(100.00%)	0.000604506	0.438875036 Hartree
166	RY*(1)H11 s(100.00%)	0.000638786	0.436849401 Hartree
167	RY*(1)H12 s(100.00%)	0.000637819	0.431203164 Hartree
168	RY*(1)H13 s(100.00%)	0.003391219	0.614816953 Hartree
169	RY*(1)C14 s(1.94%)p48.06(93.29%)d2.46(4.77%)	0.005337011	1.096384349 Hartree
170	RY*(2)C14 s(1.40%)p65.82(92.24%)d4.54(6.36%)	0.005080758	1.114374556 Hartree
171	RY*(3)C14 s(0.00%)p1.00(0.03%)d99.99(99.97%)	0.000780180	1.747066282 Hartree
172	RY*(4)C14 s(91.09%)p0.04(3.83%)d0.06(5.08%)	0.000378195	0.941380850 Hartree
173	RY*(5)C14 s(0.00%)p1.00(55.97%)d0.79(44.03%)	0.000283107	1.054637129 Hartree
174	RY*(6)C14 s(0.00%)p1.00(44.01%)d1.27(55.99%)	0.000209567	1.192111906 Hartree
175	RY*(7)C14 s(5.57%)p0.66(3.68%)d16.28(90.74%)	0.000119297	2.158285867 Hartree
176	RY*(8)C14 s(0.19%)p36.26(7.02%)d99.99(92.79%)	0.000087086	2.150545742 Hartree
177	RY*(9)C14 s(77.44%)p0.00(0.01%)d0.29(22.55%)	0.000055703	3.675098863 Hartree
178	RY*(10)C14 s(22.40%)p0.00(0.01%)d3.46(77.58%)	0.000011580	2.571001459 Hartree
179	RY*(1)C15 s(0.05%)p99.99(92.60%)d99.99(7.34%)	0.004314425	1.119111799 Hartree
180	RY*(2)C15 s(0.96%)p99.99(96.75%)d2.38(2.29%)	0.002367109	0.672233851 Hartree
181	RY*(3)C15 s(0.00%)p1.00(35.87%)d1.79(64.13%)	0.000903755	1.298316841 Hartree
182	RY*(4)C15 s(0.00%)p1.00(54.77%)d0.83(45.23%)	0.000300607	1.023359058 Hartree
183	RY*(5)C15 s(97.55%)p0.01(0.98%)d0.02(1.47%)	0.000249070	0.921731701 Hartree
184	RY*(6)C15 s(2.00%)p1.21(2.42%)d47.82(95.58%)	0.000082882	2.242415969 Hartree
185	RY*(7)C15 s(64.56%)p0.00(0.25%)d0.54(35.18%)	0.000039433	3.376935962 Hartree
186	RY*(8)C15 s(1.33%)p5.24(6.95%)d69.12(91.72%)	0.000032459	2.079354330 Hartree
187	RY*(9)C15 s(0.00%)p1.00(9.40%)d9.63(90.60%)	0.000007879	1.562677649 Hartree
188	RY*(10)C15 s(33.60%)p0.00(0.13%)d1.97(66.27%)	0.000008784	2.725539244 Hartree
189	RY*(1)C16 s(0.40%)p99.99(92.97%)d16.53(6.63%)	0.005058798	1.105391284 Hartree
190	RY*(2)C16 s(0.17%)p99.99(98.41%)d8.25(1.42%)	0.002787525	0.576074346 Hartree
191	RY*(3)C16 s(0.00%)p1.00(2.03%)d48.32(97.97%)	0.000417728	1.750123869 Hartree
192	RY*(4)C16 s(0.00%)p1.00(86.80%)d0.15(13.20%)	0.000308261	0.610669702 Hartree
193	RY*(5)C16 s(94.67%)p0.00(0.11%)d0.06(5.22%)	0.000239408	1.000672959 Hartree
194	RY*(6)C16 s(2.35%)p0.66(1.55%)d40.88(96.10%)	0.000085235	2.162810179 Hartree
195	RY*(7)C16 s(46.47%)p0.02(0.73%)d1.14(52.80%)	0.000041006	3.113877412 Hartree
196	RY*(8)C16 s(9.52%)p0.66(6.32%)d8.84(84.16%)	0.000011624	2.042169892 Hartree
197	RY*(9)C16 s(0.00%)p1.00(11.22%)d7.92(88.78%)	0.000000187	1.538590199 Hartree
198	RY*(10)C16 s(46.45%)p0.00(0.00%)d1.15(53.54%)	0.000006556	2.955073984 Hartree
199	RY*(1)C17 s(0.42%)p99.99(91.71%)d18.70(7.87%)	0.004662272	1.124777667 Hartree
200	RY*(2)C17 s(0.01%)p99.99(98.47%)d99.99(1.52%)	0.002509358	0.575279067 Hartree
201	RY*(3)C17 s(0.00%)p1.00(0.01%)d99.99(99.99%)	0.000598187	1.769533528 Hartree
202	RY*(4)C17 s(0.00%)p1.00(85.34%)d0.17(14.66%)	0.000200906	0.619331759 Hartree
203	RY*(5)C17 s(92.81%)p0.00(0.04%)d0.08(7.14%)	0.000174584	0.935856657 Hartree
204	RY*(6)C17 s(0.33%)p4.78(1.59%)d99.99(98.08%)	0.000099211	2.175673427 Hartree
205	RY*(7)C17 s(58.41%)p0.01(0.30%)d0.71(41.28%)	0.000042229	3.328228672 Hartree
206	RY*(8)C17 s(7.02%)p1.14(7.98%)d12.10(85.00%)	0.000014249	1.956734837 Hartree
207	RY*(9)C17 s(0.00%)p1.00(14.70%)d5.80(85.30%)	0.000000277	1.496419332 Hartree
208	RY*(10)C17 s(41.02%)p0.00(0.01%)d1.44(58.97%)	0.000004708	2.829957560 Hartree
209	RY*(1)C18 s(0.58%)p99.99(92.28%)d12.20(7.13%)	0.005145098	1.122058216 Hartree
210	RY*(2)C18 s(0.41%)p99.99(98.35%)d3.07(1.24%)	0.002750079	0.575304777 Hartree
211	RY*(3)C18 s(0.00%)p1.00(4.55%)d20.96(95.45%)	0.000426421	1.717061220 Hartree
212	RY*(4)C18 s(0.00%)p1.00(84.58%)d0.18(15.42%)	0.000288558	0.639775091 Hartree
213	RY*(5)C18 s(93.54%)p0.00(0.34%)d0.07(6.12%)	0.000257449	1.078303826 Hartree
214	RY*(6)C18 s(2.96%)p0.58(1.72%)d32.19(95.32%)	0.000107217	2.176065452 Hartree
215	RY*(7)C18 s(37.78%)p0.05(1.79%)d1.60(60.43%)	0.000040859	2.961059261 Hartree
216	RY*(8)C18 s(52.90%)p0.07(3.67%)d0.82(43.43%)	0.000009319	2.887064087 Hartree
217	RY*(9)C18 s(11.87%)p0.16(1.95%)d7.26(86.19%)	0.000013974	2.253388906 Hartree
218	RY*(10)C18 s(0.00%)p1.00(10.90%)d8.17(89.10%)	0.000003495	1.542552708 Hartree
219	RY*(1)C19 s(2.28%)p40.95(93.43%)d1.88(4.29%)	0.004979155	1.147322384 Hartree
220	RY*(2)C19 s(0.04%)p99.99(97.63%)d57.37(2.33%)	0.002294387	0.858114304 Hartree
221	RY*(3)C19 s(89.15%)p0.01(1.06%)d0.11(9.79%)	0.000925150	1.007496507 Hartree
222	RY*(4)C19 s(0.00%)p1.00(44.64%)d1.24(55.36%)	0.000784453	1.187154061 Hartree
223	RY*(5)C19 s(0.00%)p1.00(43.11%)d1.32(56.89%)	0.000329118	1.171872373 Hartree
224	RY*(6)C19 s(7.20%)p0.26(1.85%)d12.63(90.95%)	0.000099915	2.238946017 Hartree
225	RY*(7)C19 s(77.01%)p0.00(0.09%)d0.30(22.91%)	0.000046221	3.660801980 Hartree
226	RY*(8)C19 s(2.14%)p2.74(5.88%)d42.91(91.98%)	0.000051634	2.139334539 Hartree
227	RY*(9)C19 s(0.00%)p1.00(12.28%)d7.14(87.72%)	0.000002479	1.532954151 Hartree
228	RY*(10)C19 s(22.22%)p0.01(0.13%)d3.49(77.65%)	0.000009623	2.515527720 Hartree
229	RY*(1)H20 s(100.00%)	0.003381747	0.613328060 Hartree
230	RY*(1)H21 s(100.00%)	0.000636299	0.430133335 Hartree
231	RY*(1)H22 s(100.00%)	0.000640038	0.435750234 Hartree
232	RY*(1)H23 s(100.00%)	0.000606366	0.437525331 Hartree
233	RY*(1)H24 s(100.00%)	0.000740019	0.520909625 Hartree
234	RY*(1)H25 s(100.00%)	0.000542706	0.611813572 Hartree
235	RY*(1)H26 s(100.00%)	0.000566942	0.522511560 Hartree
236	RY*(1)H27 s(100.00%)	0.000566942	0.522511560 Hartree

Natural Bond Orbitals

Display Range		- / 236
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	BD(1)C1-C2	2098, 2099	1.990216458	-0.788221284 Hartree
2	BD(1)C1-H25	2100, 2101	1.985889732	-0.665411361 Hartree
3	BD(1)C1-H26	2102, 2103	1.962028052	-0.663224743 Hartree
4	BD(1)C1-H27	2104, 2105	1.962028052	-0.663224743 Hartree
5	BD(1)C2-C3	2106, 2107	1.982138335	-0.800210165 Hartree
6	BD(1)C2-C14	2108, 2109	1.981878547	-0.800981941 Hartree
7	BD(1)C3-C4	2110, 2111	1.978345479	-0.839315991 Hartree
8	BD(1)C3-C8	2112, 2113	1.979639740	-0.841001086 Hartree
9	BD(2)C3-C8	2114, 2115	1.560309148	-0.397067466 Hartree
10	BD(1)C4-C5	2116, 2117	1.980262189	-0.819839263 Hartree
11	BD(2)C4-C5	2118, 2119	1.651220987	-0.389395117 Hartree
12	BD(1)C4-H13	2120, 2121	1.900569109	-0.654442784 Hartree
13	BD(1)C5-C6	2122, 2123	1.984353907	-0.822709259 Hartree
14	BD(1)C5-H12	2124, 2125	1.983620502	-0.659918840 Hartree
15	BD(1)C6-C7	2126, 2127	1.984683439	-0.822812853 Hartree
16	BD(2)C6-C7	2128, 2129	1.562612019	-0.382010357 Hartree
17	BD(1)C6-H11	2130, 2131	1.983962090	-0.662075255 Hartree
18	BD(1)C7-C8	2132, 2133	1.982164627	-0.823943807 Hartree
19	BD(1)C7-H10	2134, 2135	1.983736927	-0.658027795 Hartree
20	BD(1)C8-H9	2136, 2137	1.982108223	-0.674113628 Hartree
21	BD(1)C14-C15	2138, 2139	1.979703775	-0.842828827 Hartree
22	BD(2)C14-C15	2140, 2141	1.553383468	-0.398329550 Hartree
23	BD(1)C14-C19	2142, 2143	1.978122869	-0.840753746 Hartree
24	BD(1)C15-C16	2144, 2145	1.981835874	-0.825611547 Hartree
25	BD(1)C15-H24	2146, 2147	1.979358998	-0.677022485 Hartree
26	BD(1)C16-C17	2148, 2149	1.984558912	-0.824157557 Hartree
27	BD(2)C16-C17	2150, 2151	1.563501502	-0.383389778 Hartree
28	BD(1)C16-H23	2152, 2153	1.983729360	-0.659110653 Hartree
29	BD(1)C17-C18	2154, 2155	1.984417300	-0.824359481 Hartree
30	BD(1)C17-H22	2156, 2157	1.983939541	-0.663524943 Hartree
31	BD(1)C18-C19	2158, 2159	1.980262034	-0.821001042 Hartree
32	BD(2)C18-C19	2160, 2161	1.652664892	-0.390639271 Hartree
33	BD(1)C18-H21	2162, 2163	1.983602673	-0.661211280 Hartree
34	BD(1)C19-H20	2164, 2165	1.900931444	-0.655170253 Hartree
35	CR(1)C1	2166	1.999332381	-10.219099179 Hartree
36	CR(1)C2	2167	1.999215824	-10.316948660 Hartree
37	CR(1)C3	2168	1.998993005	-10.233629468 Hartree
38	CR(1)C4	2169	1.998985746	-10.205462256 Hartree
39	CR(1)C5	2170	1.999162944	-10.209280424 Hartree
40	CR(1)C6	2171	1.999152757	-10.217019194 Hartree
41	CR(1)C7	2172	1.999169460	-10.209965408 Hartree
42	CR(1)C8	2173	1.999088000	-10.217913612 Hartree
43	CR(1)C14	2174	1.998984287	-10.235529194 Hartree
44	CR(1)C15	2175	1.999080602	-10.219575702 Hartree
45	CR(1)C16	2176	1.999166317	-10.211200170 Hartree
46	CR(1)C17	2177	1.999152945	-10.218761323 Hartree
47	CR(1)C18	2178	1.999163265	-10.210849978 Hartree
48	CR(1)C19	2179	1.998983852	-10.206474817 Hartree
49	LP*(1)C2	2180	0.633273320	-0.286965387 Hartree
50	RY*(1)C1	2181	0.002028614	0.700113239 Hartree
51	RY*(2)C1	2182	0.000479904	0.522982436 Hartree
52	RY*(3)C1	2183	0.000352850	1.104881578 Hartree
53	RY*(4)C1	2184	0.000048695	1.553999594 Hartree
54	RY*(5)C1	2185	0.000049572	1.307682003 Hartree
55	RY*(6)C1	2186	0.000016375	2.028542396 Hartree
56	RY*(7)C1	2187	0.000015296	1.449160743 Hartree
57	RY*(8)C1	2188	0.000005592	1.680687711 Hartree
58	RY*(9)C1	2189	0.000006074	4.002614863 Hartree
59	RY*(10)C1	2190	0.000008225	1.974227134 Hartree
60	RY*(1)C2	2191	0.005089723	1.089623097 Hartree
61	RY*(2)C2	2192	0.002874275	0.876040075 Hartree
62	RY*(3)C2	2193	0.001211467	0.908487225 Hartree
63	RY*(4)C2	2194	0.000613325	1.653199898 Hartree
64	RY*(5)C2	2195	0.000379561	1.101993461 Hartree
65	RY*(6)C2	2196	0.000254347	1.839903425 Hartree
66	RY*(7)C2	2197	0.000080372	1.273739967 Hartree
67	RY*(8)C2	2198	0.000060973	2.018512913 Hartree
68	RY*(9)C2	2199	0.000009005	3.978936337 Hartree
69	RY*(10)C2	2200	0.000016393	2.145356319 Hartree
70	RY*(1)C3	2201	0.005280856	1.084630420 Hartree
71	RY*(2)C3	2202	0.005098488	1.121566772 Hartree
72	RY*(3)C3	2203	0.000777360	1.747789174 Hartree
73	RY*(4)C3	2204	0.000386370	0.931974802 Hartree
74	RY*(5)C3	2205	0.000279519	1.077639091 Hartree
75	RY*(6)C3	2206	0.000211602	1.178765263 Hartree
76	RY*(7)C3	2207	0.000121319	2.171939787 Hartree
77	RY*(8)C3	2208	0.000086471	2.151754041 Hartree
78	RY*(9)C3	2209	0.000055654	3.672838961 Hartree
79	RY*(10)C3	2210	0.000012586	2.575387566 Hartree
80	RY*(1)C4	2211	0.004987379	1.146543945 Hartree
81	RY*(2)C4	2212	0.002291167	0.858629535 Hartree
82	RY*(3)C4	2213	0.000931877	1.002976985 Hartree
83	RY*(4)C4	2214	0.000772181	1.243690731 Hartree
84	RY*(5)C4	2215	0.000340420	1.119267984 Hartree
85	RY*(6)C4	2216	0.000100973	2.242360890 Hartree
86	RY*(7)C4	2217	0.000046372	3.630008395 Hartree
87	RY*(8)C4	2218	0.000050914	2.144512522 Hartree
88	RY*(9)C4	2219	0.000003166	1.532473080 Hartree
89	RY*(10)C4	2220	0.000008393	2.543322561 Hartree
90	RY*(1)C5	2221	0.005146133	1.123055357 Hartree
91	RY*(2)C5	2222	0.002752803	0.577208828 Hartree
92	RY*(3)C5	2223	0.000431618	1.677801900 Hartree
93	RY*(4)C5	2224	0.000295324	0.678520542 Hartree
94	RY*(5)C5	2225	0.000258352	1.082535549 Hartree
95	RY*(6)C5	2226	0.000107074	2.173403962 Hartree
96	RY*(7)C5	2227	0.000040642	2.957838755 Hartree
97	RY*(8)C5	2228	0.000009348	2.885181818 Hartree
98	RY*(9)C5	2229	0.000013691	2.262447635 Hartree
99	RY*(10)C5	2230	0.000003356	1.547276341 Hartree
100	RY*(1)C6	2231	0.004668792	1.125863734 Hartree
101	RY*(2)C6	2232	0.002507268	0.576829607 Hartree
102	RY*(3)C6	2233	0.000598242	1.771060803 Hartree
103	RY*(4)C6	2234	0.000204067	0.620066536 Hartree
104	RY*(5)C6	2235	0.000174679	0.935652805 Hartree
105	RY*(6)C6	2236	0.000099101	2.177603288 Hartree
106	RY*(7)C6	2237	0.000042144	3.335315863 Hartree
107	RY*(8)C6	2238	0.000014217	1.958532954 Hartree
108	RY*(9)C6	2239	0.000000262	1.498727060 Hartree
109	RY*(10)C6	2240	0.000004721	2.827364408 Hartree
110	RY*(1)C7	2241	0.005020556	1.106510362 Hartree
111	RY*(2)C7	2242	0.002798307	0.578899859 Hartree
112	RY*(3)C7	2243	0.000425117	1.763867568 Hartree
113	RY*(4)C7	2244	0.000307691	0.600534466 Hartree
114	RY*(5)C7	2245	0.000246171	0.993687208 Hartree
115	RY*(6)C7	2246	0.000085379	2.159708077 Hartree
116	RY*(7)C7	2247	0.000041511	3.168222953 Hartree
117	RY*(8)C7	2248	0.000011110	2.052219746 Hartree
118	RY*(9)C7	2249	0.000000144	1.538869980 Hartree
119	RY*(10)C7	2250	0.000005508	2.911246735 Hartree
120	RY*(1)C8	2251	0.004315155	1.114962105 Hartree
121	RY*(2)C8	2252	0.002526031	0.680357931 Hartree
122	RY*(3)C8	2253	0.000914023	1.281811093 Hartree
123	RY*(4)C8	2254	0.000292934	1.044239909 Hartree
124	RY*(5)C8	2255	0.000237122	0.925830283 Hartree
125	RY*(6)C8	2256	0.000081935	2.239224894 Hartree
126	RY*(7)C8	2257	0.000039663	3.349780553 Hartree
127	RY*(8)C8	2258	0.000031738	2.081341456 Hartree
128	RY*(9)C8	2259	0.000008961	1.563178864 Hartree
129	RY*(10)C8	2260	0.000008553	2.749948496 Hartree
130	RY*(1)H9	2261	0.000874889	0.496908429 Hartree
131	RY*(1)H10	2262	0.000604506	0.438875036 Hartree
132	RY*(1)H11	2263	0.000638786	0.436849401 Hartree
133	RY*(1)H12	2264	0.000637819	0.431203164 Hartree
134	RY*(1)H13	2265	0.003391219	0.614816953 Hartree
135	RY*(1)C14	2266	0.005337011	1.096384349 Hartree
136	RY*(2)C14	2267	0.005080758	1.114374556 Hartree
137	RY*(3)C14	2268	0.000780180	1.747066282 Hartree
138	RY*(4)C14	2269	0.000378195	0.941380850 Hartree
139	RY*(5)C14	2270	0.000283107	1.054637129 Hartree
140	RY*(6)C14	2271	0.000209567	1.192111906 Hartree
141	RY*(7)C14	2272	0.000119297	2.158285867 Hartree
142	RY*(8)C14	2273	0.000087086	2.150545742 Hartree
143	RY*(9)C14	2274	0.000055703	3.675098863 Hartree
144	RY*(10)C14	2275	0.000011580	2.571001459 Hartree
145	RY*(1)C15	2276	0.004314425	1.119111799 Hartree
146	RY*(2)C15	2277	0.002367109	0.672233851 Hartree
147	RY*(3)C15	2278	0.000903755	1.298316841 Hartree
148	RY*(4)C15	2279	0.000300607	1.023359058 Hartree
149	RY*(5)C15	2280	0.000249070	0.921731701 Hartree
150	RY*(6)C15	2281	0.000082882	2.242415969 Hartree
151	RY*(7)C15	2282	0.000039433	3.376935962 Hartree
152	RY*(8)C15	2283	0.000032459	2.079354330 Hartree
153	RY*(9)C15	2284	0.000007879	1.562677649 Hartree
154	RY*(10)C15	2285	0.000008784	2.725539244 Hartree
155	RY*(1)C16	2286	0.005058798	1.105391284 Hartree
156	RY*(2)C16	2287	0.002787525	0.576074346 Hartree
157	RY*(3)C16	2288	0.000417728	1.750123869 Hartree
158	RY*(4)C16	2289	0.000308261	0.610669702 Hartree
159	RY*(5)C16	2290	0.000239408	1.000672959 Hartree
160	RY*(6)C16	2291	0.000085235	2.162810179 Hartree
161	RY*(7)C16	2292	0.000041006	3.113877412 Hartree
162	RY*(8)C16	2293	0.000011624	2.042169892 Hartree
163	RY*(9)C16	2294	0.000000187	1.538590199 Hartree
164	RY*(10)C16	2295	0.000006556	2.955073984 Hartree
165	RY*(1)C17	2296	0.004662272	1.124777667 Hartree
166	RY*(2)C17	2297	0.002509358	0.575279067 Hartree
167	RY*(3)C17	2298	0.000598187	1.769533528 Hartree
168	RY*(4)C17	2299	0.000200906	0.619331759 Hartree
169	RY*(5)C17	2300	0.000174584	0.935856657 Hartree
170	RY*(6)C17	2301	0.000099211	2.175673427 Hartree
171	RY*(7)C17	2302	0.000042229	3.328228672 Hartree
172	RY*(8)C17	2303	0.000014249	1.956734837 Hartree
173	RY*(9)C17	2304	0.000000277	1.496419332 Hartree
174	RY*(10)C17	2305	0.000004708	2.829957560 Hartree
175	RY*(1)C18	2306	0.005145098	1.122058216 Hartree
176	RY*(2)C18	2307	0.002750079	0.575304777 Hartree
177	RY*(3)C18	2308	0.000426421	1.717061220 Hartree
178	RY*(4)C18	2309	0.000288558	0.639775091 Hartree
179	RY*(5)C18	2310	0.000257449	1.078303826 Hartree
180	RY*(6)C18	2311	0.000107217	2.176065452 Hartree
181	RY*(7)C18	2312	0.000040859	2.961059261 Hartree
182	RY*(8)C18	2313	0.000009319	2.887064087 Hartree
183	RY*(9)C18	2314	0.000013974	2.253388906 Hartree
184	RY*(10)C18	2315	0.000003495	1.542552708 Hartree
185	RY*(1)C19	2316	0.004979155	1.147322384 Hartree
186	RY*(2)C19	2317	0.002294387	0.858114304 Hartree
187	RY*(3)C19	2318	0.000925150	1.007496507 Hartree
188	RY*(4)C19	2319	0.000784453	1.187154061 Hartree
189	RY*(5)C19	2320	0.000329118	1.171872373 Hartree
190	RY*(6)C19	2321	0.000099915	2.238946017 Hartree
191	RY*(7)C19	2322	0.000046221	3.660801980 Hartree
192	RY*(8)C19	2323	0.000051634	2.139334539 Hartree
193	RY*(9)C19	2324	0.000002479	1.532954151 Hartree
194	RY*(10)C19	2325	0.000009623	2.515527720 Hartree
195	RY*(1)H20	2326	0.003381747	0.613328060 Hartree
196	RY*(1)H21	2327	0.000636299	0.430133335 Hartree
197	RY*(1)H22	2328	0.000640038	0.435750234 Hartree
198	RY*(1)H23	2329	0.000606366	0.437525331 Hartree
199	RY*(1)H24	2330	0.000740019	0.520909625 Hartree
200	RY*(1)H25	2331	0.000542706	0.611813572 Hartree
201	RY*(1)H26	2332	0.000566942	0.522511560 Hartree
202	RY*(1)H27	2333	0.000566942	0.522511560 Hartree
203	BD*(1)C1-C2		0.007271127	0.203555096 Hartree
204	BD*(1)C1-H25		0.007701031	0.320869370 Hartree
205	BD*(1)C1-H26		0.004952598	0.304400136 Hartree
206	BD*(1)C1-H27		0.004952598	0.304400136 Hartree
207	BD*(1)C2-C3		0.026036799	0.231523799 Hartree
208	BD*(1)C2-C14		0.026266578	0.232121305 Hartree
209	BD*(1)C3-C4		0.020036077	0.386763192 Hartree
210	BD*(1)C3-C8		0.019900010	0.384658684 Hartree
211	BD*(2)C3-C8		0.414504839	-0.131488993 Hartree
212	BD*(1)C4-C5		0.014258545	0.398893972 Hartree
213	BD*(2)C4-C5		0.246573941	-0.121113221 Hartree
214	BD*(1)C4-H13		0.085949283	0.547155841 Hartree
215	BD*(1)C5-C6		0.013933856	0.392711213 Hartree
216	BD*(1)C5-H12		0.010183073	0.343632886 Hartree
217	BD*(1)C6-C7		0.012838685	0.393248671 Hartree
218	BD*(2)C6-C7		0.277427462	-0.115747688 Hartree
219	BD*(1)C6-H11		0.009904700	0.346827596 Hartree
220	BD*(1)C7-C8		0.012081609	0.393117890 Hartree
221	BD*(1)C7-H10		0.009436114	0.347640958 Hartree
222	BD*(1)C8-H9		0.010255272	0.325398355 Hartree
223	BD*(1)C14-C15		0.020127407	0.383037812 Hartree
224	BD*(2)C14-C15		0.414494609	-0.133215885 Hartree
225	BD*(1)C14-C19		0.019895105	0.385332612 Hartree
226	BD*(1)C15-C16		0.012300437	0.391916168 Hartree
227	BD*(1)C15-H24		0.012854991	0.330122216 Hartree
228	BD*(1)C16-C17		0.012847568	0.391770249 Hartree
229	BD*(2)C16-C17		0.273935667	-0.117066670 Hartree
230	BD*(1)C16-H23		0.009437158	0.346526970 Hartree
231	BD*(1)C17-C18		0.013930771	0.391141502 Hartree
232	BD*(1)C17-H22		0.009890119	0.345643386 Hartree
233	BD*(1)C18-C19		0.014281857	0.397644206 Hartree
234	BD*(2)C18-C19		0.241795809	-0.122146498 Hartree
235	BD*(1)C18-H21		0.010179349	0.342606585 Hartree
236	BD*(1)C19-H20		0.086362801	0.546450582 Hartree

Quote

IF YOU GIVE A BOY AND A PIG EVERYTHING THEY WANT, YOU'LL GET A BAD BOY AND A GOOD PIG.

WebMO Job Summary

609258: C14H13(+1), Natural Bond Orbitals - Gaussian

Calculated Quantities

Overview

Rotational Constants

Molecular Orbitals

Natural Population Analysis

Natural Atomic Orbitals

Natural Hybrid Orbitals

Natural Bond Orbitals

Quote