WebMO Job Summary

Overview

Quantity	Value
Route	#N B3LYP/6-31G(d) SP GFINPUT POP=(FULL,NBORead) Geom=Connectivity
Stoichiometry	C₁₂H₁₇(1+)
Symmetry	C1
Basis	6-31G(d)
RB3LYP Energy	-467.208145219 Hartree
Dipole Moment	7.6426 Debye
Server	default (2753885)
CPU time	297.5 sec

Rotational Constants

Constant	Frequency (GHz)	Frequency (cm^-1)
a	2.9037519	0.09685873752
b	0.4005369	0.01336047286
c	0.3643762	0.01215428175

Molecular Orbitals

Display Range		- / 214
Orbital	Symmetry	Occupancy	Energy	Actions
1	-	2	-10.45867 Hartree
2	-	2	-10.40023 Hartree
3	-	2	-10.38870 Hartree
4	-	2	-10.38252 Hartree
5	-	2	-10.38229 Hartree
6	-	2	-10.36613 Hartree
7	-	2	-10.36374 Hartree
8	-	2	-10.35945 Hartree
9	-	2	-10.32393 Hartree
10	-	2	-10.30493 Hartree
11	-	2	-10.27748 Hartree
12	-	2	-10.27194 Hartree
13	-	2	-1.02908 Hartree
14	-	2	-0.97293 Hartree
15	-	2	-0.93367 Hartree
16	-	2	-0.91506 Hartree
17	-	2	-0.89131 Hartree
18	-	2	-0.83408 Hartree
19	-	2	-0.80021 Hartree
20	-	2	-0.78942 Hartree
21	-	2	-0.76914 Hartree
22	-	2	-0.73558 Hartree
23	-	2	-0.68529 Hartree
24	-	2	-0.66963 Hartree
25	-	2	-0.63564 Hartree
26	-	2	-0.62878 Hartree
27	-	2	-0.60884 Hartree
28	-	2	-0.59634 Hartree
29	-	2	-0.58985 Hartree
30	-	2	-0.58346 Hartree
31	-	2	-0.57231 Hartree
32	-	2	-0.55351 Hartree
33	-	2	-0.54101 Hartree
34	-	2	-0.53821 Hartree
35	-	2	-0.52457 Hartree
36	-	2	-0.51120 Hartree
37	-	2	-0.50739 Hartree
38	-	2	-0.48724 Hartree
39	-	2	-0.48041 Hartree
40	-	2	-0.44953 Hartree
41	-	2	-0.44218 Hartree
42	-	2	-0.43864 Hartree
43	-	2	-0.42502 Hartree
44	-	2	-0.41040 Hartree
45	-	0	-0.29965 Hartree
46	-	0	-0.17633 Hartree
47	-	0	-0.15635 Hartree
48	-	0	-0.05539 Hartree
49	-	0	-0.04998 Hartree
50	-	0	-0.03604 Hartree
51	-	0	-0.02824 Hartree
52	-	0	-0.01943 Hartree
53	-	0	-0.00490 Hartree
54	-	0	0.01125 Hartree
55	-	0	0.01902 Hartree
56	-	0	0.01985 Hartree
57	-	0	0.02428 Hartree
58	-	0	0.03277 Hartree
59	-	0	0.04124 Hartree
60	-	0	0.04873 Hartree
61	-	0	0.05457 Hartree
62	-	0	0.06000 Hartree
63	-	0	0.07446 Hartree
64	-	0	0.08354 Hartree
65	-	0	0.08837 Hartree
66	-	0	0.10145 Hartree
67	-	0	0.10369 Hartree
68	-	0	0.11223 Hartree
69	-	0	0.12469 Hartree
70	-	0	0.12777 Hartree
71	-	0	0.14181 Hartree
72	-	0	0.15733 Hartree
73	-	0	0.16934 Hartree
74	-	0	0.17961 Hartree
75	-	0	0.20604 Hartree
76	-	0	0.31326 Hartree
77	-	0	0.32694 Hartree
78	-	0	0.34936 Hartree
79	-	0	0.34991 Hartree
80	-	0	0.35582 Hartree
81	-	0	0.37576 Hartree
82	-	0	0.38012 Hartree
83	-	0	0.39217 Hartree
84	-	0	0.40823 Hartree
85	-	0	0.41077 Hartree
86	-	0	0.42317 Hartree
87	-	0	0.42756 Hartree
88	-	0	0.42977 Hartree
89	-	0	0.43334 Hartree
90	-	0	0.44811 Hartree
91	-	0	0.46265 Hartree
92	-	0	0.48000 Hartree
93	-	0	0.49269 Hartree
94	-	0	0.52218 Hartree
95	-	0	0.52587 Hartree
96	-	0	0.53431 Hartree
97	-	0	0.54801 Hartree
98	-	0	0.56427 Hartree
99	-	0	0.56972 Hartree
100	-	0	0.58412 Hartree
101	-	0	0.59395 Hartree
102	-	0	0.62162 Hartree
103	-	0	0.64028 Hartree
104	-	0	0.65837 Hartree
105	-	0	0.66394 Hartree
106	-	0	0.67265 Hartree
107	-	0	0.69637 Hartree
108	-	0	0.70435 Hartree
109	-	0	0.72188 Hartree
110	-	0	0.72430 Hartree
111	-	0	0.73078 Hartree
112	-	0	0.75578 Hartree
113	-	0	0.76371 Hartree
114	-	0	0.77444 Hartree
115	-	0	0.78553 Hartree
116	-	0	0.79110 Hartree
117	-	0	0.80342 Hartree
118	-	0	0.80713 Hartree
119	-	0	0.81323 Hartree
120	-	0	0.82475 Hartree
121	-	0	0.82973 Hartree
122	-	0	0.83413 Hartree
123	-	0	0.85047 Hartree
124	-	0	0.86311 Hartree
125	-	0	0.88459 Hartree
126	-	0	0.91061 Hartree
127	-	0	0.92120 Hartree
128	-	0	0.92445 Hartree
129	-	0	0.95971 Hartree
130	-	0	0.97896 Hartree
131	-	0	1.00331 Hartree
132	-	0	1.02674 Hartree
133	-	0	1.08048 Hartree
134	-	0	1.08577 Hartree
135	-	0	1.15155 Hartree
136	-	0	1.16070 Hartree
137	-	0	1.19477 Hartree
138	-	0	1.24305 Hartree
139	-	0	1.25060 Hartree
140	-	0	1.25927 Hartree
141	-	0	1.29029 Hartree
142	-	0	1.29112 Hartree
143	-	0	1.30684 Hartree
144	-	0	1.31011 Hartree
145	-	0	1.35529 Hartree
146	-	0	1.38077 Hartree
147	-	0	1.40514 Hartree
148	-	0	1.42100 Hartree
149	-	0	1.52168 Hartree
150	-	0	1.56451 Hartree
151	-	0	1.60597 Hartree
152	-	0	1.61747 Hartree
153	-	0	1.62960 Hartree
154	-	0	1.66065 Hartree
155	-	0	1.67246 Hartree
156	-	0	1.68089 Hartree
157	-	0	1.70313 Hartree
158	-	0	1.72191 Hartree
159	-	0	1.72289 Hartree
160	-	0	1.74664 Hartree
161	-	0	1.79267 Hartree
162	-	0	1.81379 Hartree
163	-	0	1.82361 Hartree
164	-	0	1.83124 Hartree
165	-	0	1.86499 Hartree
166	-	0	1.87709 Hartree
167	-	0	1.88895 Hartree
168	-	0	1.91833 Hartree
169	-	0	1.93370 Hartree
170	-	0	1.95124 Hartree
171	-	0	1.96790 Hartree
172	-	0	1.97635 Hartree
173	-	0	2.02081 Hartree
174	-	0	2.04627 Hartree
175	-	0	2.05919 Hartree
176	-	0	2.07401 Hartree
177	-	0	2.08661 Hartree
178	-	0	2.10215 Hartree
179	-	0	2.13095 Hartree
180	-	0	2.14259 Hartree
181	-	0	2.15170 Hartree
182	-	0	2.17029 Hartree
183	-	0	2.18795 Hartree
184	-	0	2.19440 Hartree
185	-	0	2.22311 Hartree
186	-	0	2.24178 Hartree
187	-	0	2.35396 Hartree
188	-	0	2.36691 Hartree
189	-	0	2.38942 Hartree
190	-	0	2.39502 Hartree
191	-	0	2.44001 Hartree
192	-	0	2.45071 Hartree
193	-	0	2.46335 Hartree
194	-	0	2.54744 Hartree
195	-	0	2.57327 Hartree
196	-	0	2.60102 Hartree
197	-	0	2.64145 Hartree
198	-	0	2.66022 Hartree
199	-	0	2.70007 Hartree
200	-	0	2.74713 Hartree
201	-	0	2.90186 Hartree
202	-	0	3.15917 Hartree
203	-	0	3.83049 Hartree
204	-	0	3.91708 Hartree
205	-	0	3.94498 Hartree
206	-	0	3.98418 Hartree
207	-	0	4.07748 Hartree
208	-	0	4.10804 Hartree
209	-	0	4.16294 Hartree
210	-	0	4.18805 Hartree
211	-	0	4.21094 Hartree
212	-	0	4.27774 Hartree
213	-	0	4.45548 Hartree
214	-	0	4.55599 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom	Symbol	Charge
1	C	-0.48683
2	C	-0.26574
3	C	-0.66751
4	H	0.24743
5	H	0.23819
6	H	0.23332
7	C	-0.67874
8	H	0.25159
9	H	0.24092
10	H	0.21666
11	H	0.24180
12	C	0.11935
13	C	-0.21116
14	C	-0.14044
15	C	-0.14266
16	C	-0.11881
17	C	-0.24776
18	H	0.27893
19	H	0.26691
20	C	0.17364
21	C	-0.76600
22	H	0.28388
23	H	0.29286
24	H	0.29293
25	H	0.26166
26	H	0.26159
27	H	0.27344
28	H	0.27774
29	H	0.27283

Natural Atomic Orbitals

Display Range		- / 214
Orbital	Description	Occupancy	Energy	Actions
1	C1 Cor(1S)	1.999224065	-10.183077947 Hartree
2	C1 Val(2S)	1.038064928	-0.368188627 Hartree
3	C1 Ryd(3S)	0.000984315	1.423284799 Hartree
4	C1 Ryd(4S)	0.000020424	4.137712727 Hartree
5	C1 Val(2p)	1.010693305	-0.205391654 Hartree
6	C1 Ryd(3p)	0.002496195	0.588015851 Hartree
7	C1 Val(2p)	1.168236362	-0.215103878 Hartree
8	C1 Ryd(3p)	0.002741248	0.530941305 Hartree
9	C1 Val(2p)	1.258315701	-0.222132050 Hartree
10	C1 Ryd(3p)	0.002531210	0.723763519 Hartree
11	C1 Ryd(3d)	0.000518595	2.112965246 Hartree
12	C1 Ryd(3d)	0.000254176	1.775088626 Hartree
13	C1 Ryd(3d)	0.001182602	2.044835164 Hartree
14	C1 Ryd(3d)	0.000816743	2.050437512 Hartree
15	C1 Ryd(3d)	0.000751236	2.032793206 Hartree
16	C2 Cor(1S)	1.999282302	-10.166152183 Hartree
17	C2 Val(2S)	0.976216274	-0.331799049 Hartree
18	C2 Ryd(3S)	0.000786633	1.451379047 Hartree
19	C2 Ryd(4S)	0.000017907	4.213407433 Hartree
20	C2 Val(2p)	1.064113290	-0.192233455 Hartree
21	C2 Ryd(3p)	0.003155164	0.780207249 Hartree
22	C2 Val(2p)	1.047650830	-0.187506747 Hartree
23	C2 Ryd(3p)	0.002141231	0.598309956 Hartree
24	C2 Val(2p)	1.166255106	-0.189031957 Hartree
25	C2 Ryd(3p)	0.002421405	0.699550843 Hartree
26	C2 Ryd(3d)	0.000827996	2.100382155 Hartree
27	C2 Ryd(3d)	0.000521177	1.841566802 Hartree
28	C2 Ryd(3d)	0.000888085	2.107188214 Hartree
29	C2 Ryd(3d)	0.000569449	2.022078112 Hartree
30	C2 Ryd(3d)	0.000894179	2.080508269 Hartree
31	C3 Cor(1S)	1.999428790	-10.139168876 Hartree
32	C3 Val(2S)	1.096642536	-0.345695373 Hartree
33	C3 Ryd(3S)	0.000431874	1.236744013 Hartree
34	C3 Ryd(4S)	0.000015488	4.140011051 Hartree
35	C3 Val(2p)	1.074766803	-0.163347257 Hartree
36	C3 Ryd(3p)	0.001892239	0.495306647 Hartree
37	C3 Val(2p)	1.237715537	-0.175294914 Hartree
38	C3 Ryd(3p)	0.002265629	0.609549906 Hartree
39	C3 Val(2p)	1.249039828	-0.175151711 Hartree
40	C3 Ryd(3p)	0.002017567	0.589008230 Hartree
41	C3 Ryd(3d)	0.000814423	2.016826022 Hartree
42	C3 Ryd(3d)	0.000263660	1.797749801 Hartree
43	C3 Ryd(3d)	0.000995763	2.061787585 Hartree
44	C3 Ryd(3d)	0.000482346	1.960287233 Hartree
45	C3 Ryd(3d)	0.000738091	2.034403597 Hartree
46	H4 Val(1S)	0.751831897	0.008977885 Hartree
47	H4 Ryd(2S)	0.000741473	0.567727555 Hartree
48	H5 Val(1S)	0.761003840	0.002202518 Hartree
49	H5 Ryd(2S)	0.000801987	0.568702435 Hartree
50	H6 Val(1S)	0.765709761	-0.003416541 Hartree
51	H6 Ryd(2S)	0.000974191	0.578571431 Hartree
52	C7 Cor(1S)	1.999382766	-10.140958304 Hartree
53	C7 Val(2S)	1.090330018	-0.352176290 Hartree
54	C7 Ryd(3S)	0.000555469	1.271371876 Hartree
55	C7 Ryd(4S)	0.000011635	4.091017997 Hartree
56	C7 Val(2p)	1.231873479	-0.184724054 Hartree
57	C7 Ryd(3p)	0.001739804	0.620736506 Hartree
58	C7 Val(2p)	1.180737160	-0.185925199 Hartree
59	C7 Ryd(3p)	0.002264940	0.598241348 Hartree
60	C7 Val(2p)	1.166919974	-0.184288016 Hartree
61	C7 Ryd(3p)	0.001633051	0.552256963 Hartree
62	C7 Ryd(3d)	0.000821553	2.020677438 Hartree
63	C7 Ryd(3d)	0.000219997	1.767560710 Hartree
64	C7 Ryd(3d)	0.000732779	2.085370622 Hartree
65	C7 Ryd(3d)	0.000590770	1.934970684 Hartree
66	C7 Ryd(3d)	0.000927844	2.024868096 Hartree
67	H8 Val(1S)	0.747633609	0.001178703 Hartree
68	H8 Ryd(2S)	0.000778116	0.556989640 Hartree
69	H9 Val(1S)	0.758062520	-0.007348714 Hartree
70	H9 Ryd(2S)	0.001017875	0.565229286 Hartree
71	H10 Val(1S)	0.782520533	-0.021649713 Hartree
72	H10 Ryd(2S)	0.000821391	0.634147458 Hartree
73	H11 Val(1S)	0.756249253	-0.007813296 Hartree
74	H11 Ryd(2S)	0.001947706	0.568133030 Hartree
75	C12 Cor(1S)	1.999071965	-10.241271594 Hartree
76	C12 Val(2S)	0.917455668	-0.335343852 Hartree
77	C12 Ryd(3S)	0.000792158	0.898741517 Hartree
78	C12 Ryd(4S)	0.000038826	4.076219219 Hartree
79	C12 Val(2p)	1.078353705	-0.213743589 Hartree
80	C12 Ryd(3p)	0.004928041	1.034717559 Hartree
81	C12 Val(2p)	1.065857948	-0.214871056 Hartree
82	C12 Ryd(3p)	0.003558437	0.803811490 Hartree
83	C12 Val(2p)	0.806096835	-0.260329367 Hartree
84	C12 Ryd(3p)	0.001239105	0.553885224 Hartree
85	C12 Ryd(3d)	0.000863840	2.254801096 Hartree
86	C12 Ryd(3d)	0.000671550	1.773608277 Hartree
87	C12 Ryd(3d)	0.000592010	1.805477267 Hartree
88	C12 Ryd(3d)	0.000765135	2.244549457 Hartree
89	C12 Ryd(3d)	0.000363201	2.094171525 Hartree
90	C13 Cor(1S)	1.999077026	-10.223556661 Hartree
91	C13 Val(2S)	0.979461059	-0.350757876 Hartree
92	C13 Ryd(3S)	0.000705133	1.006868135 Hartree
93	C13 Ryd(4S)	0.000032098	3.917311016 Hartree
94	C13 Val(2p)	1.046601620	-0.203985406 Hartree
95	C13 Ryd(3p)	0.003864357	0.605446309 Hartree
96	C13 Val(2p)	1.202204709	-0.226829828 Hartree
97	C13 Ryd(3p)	0.005628109	0.928930108 Hartree
98	C13 Val(2p)	0.970376364	-0.267907476 Hartree
99	C13 Ryd(3p)	0.000498102	0.487054110 Hartree
100	C13 Ryd(3d)	0.000719547	2.186652736 Hartree
101	C13 Ryd(3d)	0.000337473	1.771467055 Hartree
102	C13 Ryd(3d)	0.000415992	1.699194945 Hartree
103	C13 Ryd(3d)	0.000821803	2.205197406 Hartree
104	C13 Ryd(3d)	0.000420363	2.089833619 Hartree
105	C14 Cor(1S)	1.999080199	-10.238528028 Hartree
106	C14 Val(2S)	0.976646142	-0.361077772 Hartree
107	C14 Ryd(3S)	0.000500015	1.009174182 Hartree
108	C14 Ryd(4S)	0.000037532	3.901768596 Hartree
109	C14 Val(2p)	1.144907919	-0.227361613 Hartree
110	C14 Ryd(3p)	0.004167011	0.833415990 Hartree
111	C14 Val(2p)	1.099523717	-0.219985831 Hartree
112	C14 Ryd(3p)	0.004188239	0.736477781 Hartree
113	C14 Val(2p)	0.907940538	-0.276736409 Hartree
114	C14 Ryd(3p)	0.000603200	0.475789306 Hartree
115	C14 Ryd(3d)	0.000874139	2.168325446 Hartree
116	C14 Ryd(3d)	0.000491563	1.685085732 Hartree
117	C14 Ryd(3d)	0.000381907	1.747845297 Hartree
118	C14 Ryd(3d)	0.000669386	2.213781738 Hartree
119	C14 Ryd(3d)	0.000433080	2.074587160 Hartree
120	C15 Cor(1S)	1.999015493	-10.259795216 Hartree
121	C15 Val(2S)	0.921984378	-0.363503185 Hartree
122	C15 Ryd(3S)	0.000436441	0.829488846 Hartree
123	C15 Ryd(4S)	0.000050839	4.041733372 Hartree
124	C15 Val(2p)	1.068393024	-0.255045029 Hartree
125	C15 Ryd(3p)	0.004723218	0.964039273 Hartree
126	C15 Val(2p)	1.098683341	-0.248028568 Hartree
127	C15 Ryd(3p)	0.005358291	0.882631105 Hartree
128	C15 Val(2p)	1.040782290	-0.291014972 Hartree
129	C15 Ryd(3p)	0.000364292	0.526371783 Hartree
130	C15 Ryd(3d)	0.000782741	2.227682180 Hartree
131	C15 Ryd(3d)	0.000282717	1.704306975 Hartree
132	C15 Ryd(3d)	0.000610209	1.775990494 Hartree
133	C15 Ryd(3d)	0.000792255	2.203841083 Hartree
134	C15 Ryd(3d)	0.000396423	2.069893550 Hartree
135	C16 Cor(1S)	1.999053640	-10.236669670 Hartree
136	C16 Val(2S)	0.974896973	-0.357446695 Hartree
137	C16 Ryd(3S)	0.000582242	1.071403654 Hartree
138	C16 Ryd(4S)	0.000036378	3.863030939 Hartree
139	C16 Val(2p)	1.052516946	-0.209071803 Hartree
140	C16 Ryd(3p)	0.003560569	0.583957864 Hartree
141	C16 Val(2p)	1.187504322	-0.232463784 Hartree
142	C16 Ryd(3p)	0.005294791	0.935373884 Hartree
143	C16 Val(2p)	0.891913304	-0.273466830 Hartree
144	C16 Ryd(3p)	0.000587149	0.475004348 Hartree
145	C16 Ryd(3d)	0.000784568	2.176554146 Hartree
146	C16 Ryd(3d)	0.000551856	1.773033766 Hartree
147	C16 Ryd(3d)	0.000329660	1.680118396 Hartree
148	C16 Ryd(3d)	0.000773477	2.190578948 Hartree
149	C16 Ryd(3d)	0.000425212	2.094350167 Hartree
150	C17 Cor(1S)	1.999081131	-10.214618353 Hartree
151	C17 Val(2S)	0.974235125	-0.349376699 Hartree
152	C17 Ryd(3S)	0.001060063	0.961713805 Hartree
153	C17 Ryd(4S)	0.000037537	4.056677059 Hartree
154	C17 Val(2p)	1.140973083	-0.225670216 Hartree
155	C17 Ryd(3p)	0.004627738	0.976578351 Hartree
156	C17 Val(2p)	1.128173852	-0.220435518 Hartree
157	C17 Ryd(3p)	0.005320013	0.773674434 Hartree
158	C17 Val(2p)	0.990670672	-0.266361642 Hartree
159	C17 Ryd(3p)	0.000732357	0.573626921 Hartree
160	C17 Ryd(3d)	0.000853763	2.192268226 Hartree
161	C17 Ryd(3d)	0.000525621	1.711508054 Hartree
162	C17 Ryd(3d)	0.000374201	1.777128683 Hartree
163	C17 Ryd(3d)	0.000649080	2.257599056 Hartree
164	C17 Ryd(3d)	0.000445695	2.094796857 Hartree
165	H18 Val(1S)	0.719901531	-0.044530513 Hartree
166	H18 Ryd(2S)	0.001163926	0.608623000 Hartree
167	H19 Val(1S)	0.732316510	-0.058419898 Hartree
168	H19 Ryd(2S)	0.000773569	0.417892741 Hartree
169	C20 Cor(1S)	1.999355333	-10.338722906 Hartree
170	C20 Val(2S)	1.086745941	-0.481651744 Hartree
171	C20 Ryd(3S)	0.000478808	0.812538451 Hartree
172	C20 Ryd(4S)	0.000011989	3.929499503 Hartree
173	C20 Val(2p)	1.003362131	-0.248635467 Hartree
174	C20 Ryd(3p)	0.001713705	0.463348832 Hartree
175	C20 Val(2p)	1.150446697	-0.262148473 Hartree
176	C20 Ryd(3p)	0.003288635	0.775334591 Hartree
177	C20 Val(2p)	0.576648063	-0.311156548 Hartree
178	C20 Ryd(3p)	0.001189045	0.431199988 Hartree
179	C20 Ryd(3d)	0.000737209	2.043419064 Hartree
180	C20 Ryd(3d)	0.000489008	1.661977121 Hartree
181	C20 Ryd(3d)	0.000259429	1.588359569 Hartree
182	C20 Ryd(3d)	0.001216026	2.014647424 Hartree
183	C20 Ryd(3d)	0.000422954	1.910800726 Hartree
184	C21 Cor(1S)	1.999410136	-10.237316937 Hartree
185	C21 Val(2S)	1.138064203	-0.458280151 Hartree
186	C21 Ryd(3S)	0.000335879	1.081280966 Hartree
187	C21 Ryd(4S)	0.000009066	4.048748392 Hartree
188	C21 Val(2p)	1.169856382	-0.264556001 Hartree
189	C21 Ryd(3p)	0.002711337	0.509576699 Hartree
190	C21 Val(2p)	1.189043535	-0.269277601 Hartree
191	C21 Ryd(3p)	0.001968744	0.452885546 Hartree
192	C21 Val(2p)	1.261269683	-0.269190441 Hartree
193	C21 Ryd(3p)	0.000213626	0.453945151 Hartree
194	C21 Ryd(3d)	0.000909034	2.038433603 Hartree
195	C21 Ryd(3d)	0.000261780	1.586389298 Hartree
196	C21 Ryd(3d)	0.000799550	1.985120384 Hartree
197	C21 Ryd(3d)	0.000396095	1.792151089 Hartree
198	C21 Ryd(3d)	0.000752597	1.962396208 Hartree
199	H22 Val(1S)	0.715605550	-0.045400903 Hartree
200	H22 Ryd(2S)	0.000517300	0.485735599 Hartree
201	H23 Val(1S)	0.706671091	-0.065480524 Hartree
202	H23 Ryd(2S)	0.000471017	0.505158782 Hartree
203	H24 Val(1S)	0.706598008	-0.065431329 Hartree
204	H24 Ryd(2S)	0.000469606	0.505174562 Hartree
205	H25 Val(1S)	0.737657807	-0.084058531 Hartree
206	H25 Ryd(2S)	0.000681079	0.392378477 Hartree
207	H26 Val(1S)	0.737570445	-0.064073358 Hartree
208	H26 Ryd(2S)	0.000840290	0.481138563 Hartree
209	H27 Val(1S)	0.725852022	-0.042550717 Hartree
210	H27 Ryd(2S)	0.000705478	0.426703923 Hartree
211	H28 Val(1S)	0.721129901	-0.022530017 Hartree
212	H28 Ryd(2S)	0.001133968	0.537187137 Hartree
213	H29 Val(1S)	0.725741634	-0.028570033 Hartree
214	H29 Ryd(2S)	0.001430814	0.547680095 Hartree

Natural Hybrid Orbitals

Display Range		- / 214
Orbital	Description	Occupancy	Energy	Actions
1	BD(1)C1(C2) 1s(27.41%)p2.65(72.56%)d0.00(0.03%)	1.030009499	-0.232199028 Hartree
2	BD(1)C2(C1) 2s(24.70%)p3.05(75.25%)d0.00(0.05%)	0.969376462	-0.213261841 Hartree
3	BD(1)C1(C12) 1s(24.32%)p3.11(75.62%)d0.00(0.06%)	0.949961969	-0.226318852 Hartree
4	BD(1)C12(C1) 12s(32.19%)p2.11(67.78%)d0.00(0.03%)	1.048457373	-0.271270718 Hartree
5	BD(1)C1(H28) 1s(24.14%)p3.14(75.80%)d0.00(0.06%)	1.251019982	-0.267442383 Hartree
6	BD(1)H28(C1) 28s(100.00%)	0.721127463	-0.021438648 Hartree
7	BD(1)C1(H29) 1s(24.11%)p3.14(75.82%)d0.00(0.06%)	1.248171988	-0.269603042 Hartree
8	BD(1)H29(C1) 29s(100.00%)	0.725736486	-0.026991066 Hartree
9	BD(1)C2(C3) 2s(26.40%)p2.79(73.56%)d0.00(0.04%)	1.037645464	-0.217640945 Hartree
10	BD(1)C3(C2) 3s(26.74%)p2.74(73.22%)d0.00(0.04%)	0.955513990	-0.182874732 Hartree
11	BD(1)C2(C7) 2s(25.27%)p2.96(74.69%)d0.00(0.04%)	1.014714720	-0.220082134 Hartree
12	BD(1)C7(C2) 7s(26.35%)p2.79(73.61%)d0.00(0.04%)	0.984378029	-0.204372241 Hartree
13	BD(1)C2(H11) 2s(23.59%)p3.24(76.34%)d0.00(0.07%)	1.236727638	-0.237049130 Hartree
14	BD(1)H11(C2) 11s(100.00%)	0.756239271	-0.005643172 Hartree
15	BD(1)C3(H4) 3s(24.59%)p3.06(75.35%)d0.00(0.06%)	1.242215258	-0.220123197 Hartree
16	BD(1)H4(C3) 4s(100.00%)	0.751831773	0.009215915 Hartree
17	BD(1)C3(H5) 3s(24.27%)p3.12(75.67%)d0.00(0.06%)	1.233863158	-0.218877562 Hartree
18	BD(1)H5(C3) 5s(100.00%)	0.761003684	0.002467295 Hartree
19	BD(1)C3(H6) 3s(24.35%)p3.10(75.59%)d0.00(0.06%)	1.231084035	-0.221497128 Hartree
20	BD(1)H6(C3) 6s(100.00%)	0.765708935	-0.002808671 Hartree
21	BD(1)C7(H8) 7s(24.20%)p3.13(75.74%)d0.00(0.06%)	1.246067222	-0.231691464 Hartree
22	BD(1)H8(C7) 8s(100.00%)	0.747633355	0.001520791 Hartree
23	BD(1)C7(H9) 7s(24.28%)p3.12(75.66%)d0.00(0.06%)	1.239602783	-0.232135354 Hartree
24	BD(1)H9(C7) 9s(100.00%)	0.758060983	-0.006515075 Hartree
25	BD(1)C7(H10) 7s(25.08%)p2.99(74.86%)d0.00(0.06%)	1.204561539	-0.225975113 Hartree
26	BD(1)H10(C7) 10s(100.00%)	0.782520107	-0.022046340 Hartree
27	BD(1)C12(C13) 12s(33.93%)p1.95(66.03%)d0.00(0.04%)	1.015707986	-0.245371630 Hartree
28	BD(1)C13(C12) 13s(34.53%)p1.90(65.43%)d0.00(0.05%)	0.985009662	-0.224000519 Hartree
29	BD(1)C12(C17) 12s(33.85%)p1.95(66.11%)d0.00(0.04%)	1.007648505	-0.240888329 Hartree
30	BD(1)C17(C12) 17s(33.64%)p1.97(66.31%)d0.00(0.05%)	0.993367155	-0.230682324 Hartree
31	BD(1)C13(C14) 13s(34.04%)p1.94(65.92%)d0.00(0.04%)	0.986225477	-0.228860688 Hartree
32	BD(1)C14(C13) 14s(35.24%)p1.84(64.72%)d0.00(0.04%)	1.006708110	-0.238286138 Hartree
33	BD(2)C13(C14) 13s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.964637947	-0.268974864 Hartree
34	BD(2)C14(C13) 14s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.900593108	-0.277980800 Hartree
35	BD(1)C13(H27) 13s(31.39%)p2.18(68.56%)d0.00(0.05%)	1.267109008	-0.310612321 Hartree
36	BD(1)H27(C13) 27s(100.00%)	0.725849769	-0.041613922 Hartree
37	BD(1)C14(C15) 14s(33.89%)p1.95(66.06%)d0.00(0.05%)	0.970602667	-0.232658070 Hartree
38	BD(1)C15(C14) 15s(35.16%)p1.84(64.80%)d0.00(0.04%)	1.030228056	-0.269921406 Hartree
39	BD(1)C14(H26) 14s(30.81%)p2.24(69.13%)d0.00(0.05%)	1.255107505	-0.320105935 Hartree
40	BD(1)H26(C14) 26s(100.00%)	0.737569261	-0.063380872 Hartree
41	BD(1)C15(C16) 15s(35.36%)p1.83(64.60%)d0.00(0.04%)	1.032738587	-0.269903107 Hartree
42	BD(1)C16(C15) 16s(33.92%)p1.95(66.03%)d0.00(0.05%)	0.967591232	-0.230552700 Hartree
43	BD(1)C15(C20) 15s(29.45%)p2.39(70.51%)d0.00(0.04%)	1.029721847	-0.318414388 Hartree
44	BD(1)C20(C15) 20s(33.50%)p1.98(66.45%)d0.00(0.05%)	0.979786352	-0.298940026 Hartree
45	BD(1)C16(C17) 16s(35.28%)p1.83(64.68%)d0.00(0.04%)	0.999500351	-0.231596751 Hartree
46	BD(1)C17(C16) 17s(33.90%)p1.95(66.05%)d0.00(0.04%)	0.994845689	-0.230307765 Hartree
47	BD(2)C16(C17) 16s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.883580685	-0.274292727 Hartree
48	BD(2)C17(C16) 17s(0.02%)p99.99(99.94%)d2.32(0.04%)	0.982188703	-0.267843475 Hartree
49	BD(1)C16(H19) 16s(30.75%)p2.25(69.19%)d0.00(0.05%)	1.260039054	-0.319608297 Hartree
50	BD(1)H19(C16) 19s(100.00%)	0.732314294	-0.057495736 Hartree
51	BD(1)C17(H18) 17s(32.40%)p2.08(67.55%)d0.00(0.05%)	1.269276646	-0.315881685 Hartree
52	BD(1)H18(C17) 18s(100.00%)	0.719900742	-0.043969688 Hartree
53	BD(1)C20(C21) 20s(33.88%)p1.95(66.08%)d0.00(0.05%)	1.021860668	-0.321458012 Hartree
54	BD(1)C21(C20) 21s(24.25%)p3.12(75.69%)d0.00(0.06%)	0.974592202	-0.295055792 Hartree
55	BD(1)C20(H25) 20s(32.57%)p2.07(67.36%)d0.00(0.08%)	1.259638239	-0.358029977 Hartree
56	BD(1)H25(C20) 25s(100.00%)	0.737655767	-0.083148378 Hartree
57	BD(1)C21(H22) 21s(25.65%)p2.90(74.30%)d0.00(0.05%)	1.277411881	-0.311408241 Hartree
58	BD(1)H22(C21) 22s(100.00%)	0.715605457	-0.045188915 Hartree
59	BD(1)C21(H23) 21s(25.05%)p2.99(74.89%)d0.00(0.06%)	1.255607176	-0.318159880 Hartree
60	BD(1)H23(C21) 23s(100.00%)	0.706671069	-0.065377174 Hartree
61	BD(1)C21(H24) 21s(25.03%)p2.99(74.91%)d0.00(0.06%)	1.255710017	-0.318135071 Hartree
62	BD(1)H24(C21) 24s(100.00%)	0.706597989	-0.065333943 Hartree
63	CR(1)C1 s(100.00%)p0.00(0.00%)	1.999224498	-10.182990881 Hartree
64	CR(1)C2 s(100.00%)p0.00(0.00%)	1.999281917	-10.166003457 Hartree
65	CR(1)C3 s(100.00%)p0.00(0.00%)	1.999429909	-10.138889022 Hartree
66	CR(1)C7 s(100.00%)p0.00(0.00%)	1.999384112	-10.140705039 Hartree
67	CR(1)C12 s(100.00%)	1.999072123	-10.241620191 Hartree
68	CR(1)C13 s(100.00%)p0.00(0.00%)	1.999080287	-10.223928328 Hartree
69	CR(1)C14 s(100.00%)p0.00(0.00%)	1.999082683	-10.238937967 Hartree
70	CR(1)C15 s(100.00%)	1.999015129	-10.260153166 Hartree
71	CR(1)C16 s(100.00%)p0.00(0.00%)	1.999056763	-10.237086287 Hartree
72	CR(1)C17 s(100.00%)p0.00(0.00%)	1.999082553	-10.214968139 Hartree
73	CR(1)C20 s(100.00%)p0.00(0.00%)	1.999355981	-10.338841086 Hartree
74	CR(1)C21 s(100.00%)p0.00(0.00%)	1.999409322	-10.237271922 Hartree
75	LP*(1)C12 s(0.00%)p1.00(99.97%)d0.00(0.03%)	0.798372144	-0.260529071 Hartree
76	LP(1)C15 s(0.00%)p1.00(100.00%)d0.00(0.00%)	1.038723966	-0.292743008 Hartree
77	LP*(1)C20 s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.559116542	-0.312549923 Hartree
78	RY*(1)C1 s(1.76%)p52.27(92.21%)d3.42(6.03%)	0.003097800	0.774279013 Hartree
79	RY*(2)C1 s(0.97%)p92.13(89.56%)d9.74(9.46%)	0.002527731	0.871316891 Hartree
80	RY*(3)C1 s(11.13%)p6.39(71.19%)d1.59(17.68%)	0.001940551	0.897081465 Hartree
81	RY*(4)C1 s(82.55%)p0.16(13.59%)d0.05(3.85%)	0.000522589	1.358194429 Hartree
82	RY*(5)C1 s(1.07%)p0.27(0.29%)d92.38(98.65%)	0.000215986	1.752222761 Hartree
83	RY*(6)C1 s(6.15%)p2.45(15.05%)d12.82(78.80%)	0.000080435	1.947140806 Hartree
84	RY*(7)C1 s(2.11%)p1.45(3.06%)d44.92(94.83%)	0.000024303	2.123278515 Hartree
85	RY*(8)C1 s(1.39%)p9.31(12.90%)d61.87(85.71%)	0.000009598	1.808677703 Hartree
86	RY*(9)C1 s(92.28%)p0.01(1.32%)d0.07(6.40%)	0.000008934	3.924461058 Hartree
87	RY*(10)C1 s(0.60%)p1.70(1.03%)d99.99(98.37%)	0.000015238	1.947845345 Hartree
88	RY*(1)C2 s(8.02%)p10.42(83.58%)d1.05(8.40%)	0.002971189	1.065737171 Hartree
89	RY*(2)C2 s(0.18%)p99.99(90.80%)d49.11(9.02%)	0.002171296	0.859763652 Hartree
90	RY*(3)C2 s(0.90%)p99.99(92.43%)d7.44(6.67%)	0.001433384	0.697140542 Hartree
91	RY*(4)C2 s(0.77%)p0.46(0.36%)d99.99(98.88%)	0.000450996	1.957305678 Hartree
92	RY*(5)C2 s(0.69%)p2.82(1.95%)d99.99(97.35%)	0.000368380	1.836618697 Hartree
93	RY*(6)C2 s(73.59%)p0.12(9.12%)d0.23(17.29%)	0.000245293	1.485048807 Hartree
94	RY*(7)C2 s(4.03%)p0.61(2.46%)d23.20(93.51%)	0.000166742	2.061366888 Hartree
95	RY*(8)C2 s(10.89%)p0.62(6.76%)d7.56(82.35%)	0.000121901	1.992948893 Hartree
96	RY*(9)C2 s(11.98%)p0.91(10.95%)d6.43(77.07%)	0.000060343	2.009629800 Hartree
97	RY*(10)C2 s(88.98%)p0.02(1.75%)d0.10(9.27%)	0.000005302	3.916332069 Hartree
98	RY*(1)C3 s(1.04%)p84.74(88.31%)d10.21(10.65%)	0.002554583	0.808498447 Hartree
99	RY*(2)C3 s(4.21%)p20.22(85.19%)d2.52(10.60%)	0.002205566	0.810268034 Hartree
100	RY*(3)C3 s(34.65%)p1.80(62.33%)d0.09(3.02%)	0.000473401	0.813264704 Hartree
101	RY*(4)C3 s(57.69%)p0.64(36.93%)d0.09(5.37%)	0.000125650	1.206189924 Hartree
102	RY*(5)C3 s(4.33%)p1.95(8.44%)d20.13(87.23%)	0.000012812	1.945092852 Hartree
103	RY*(6)C3 s(0.66%)p3.34(2.20%)d99.99(97.14%)	0.000013242	1.951878676 Hartree
104	RY*(7)C3 s(3.68%)p2.63(9.69%)d23.52(86.63%)	0.000008282	1.672774487 Hartree
105	RY*(8)C3 s(0.38%)p9.51(3.66%)d99.99(95.96%)	0.000002890	1.945523855 Hartree
106	RY*(9)C3 s(92.60%)p0.03(2.46%)d0.05(4.94%)	0.000000640	3.790675342 Hartree
107	RY*(10)C3 s(0.80%)p1.21(0.97%)d99.99(98.23%)	0.000007160	1.981111273 Hartree
108	RY*(1)H4 s(100.00%)	0.000741597	0.567489525 Hartree
109	RY*(1)H5 s(100.00%)	0.000802143	0.568437658 Hartree
110	RY*(1)H6 s(100.00%)	0.000975017	0.577963562 Hartree
111	RY*(1)C7 s(7.66%)p10.65(81.58%)d1.41(10.76%)	0.002018675	0.869620634 Hartree
112	RY*(2)C7 s(6.97%)p11.31(78.84%)d2.03(14.19%)	0.001934177	0.881198385 Hartree
113	RY*(3)C7 s(37.71%)p1.36(51.22%)d0.29(11.07%)	0.000479685	0.990011085 Hartree
114	RY*(4)C7 s(42.00%)p1.25(52.53%)d0.13(5.47%)	0.000197792	0.994089179 Hartree
115	RY*(5)C7 s(0.55%)p20.82(11.36%)d99.99(88.09%)	0.000059978	1.736425544 Hartree
116	RY*(6)C7 s(1.90%)p1.37(2.60%)d50.28(95.50%)	0.000015759	1.965095743 Hartree
117	RY*(7)C7 s(1.10%)p0.80(0.88%)d88.91(98.02%)	0.000014116	1.993763733 Hartree
118	RY*(8)C7 s(1.58%)p2.03(3.20%)d60.42(95.22%)	0.000014619	1.907232420 Hartree
119	RY*(9)C7 s(8.74%)p1.85(16.18%)d8.59(75.08%)	0.000012249	1.760788712 Hartree
120	RY*(10)C7 s(91.89%)p0.02(1.73%)d0.07(6.37%)	0.000000507	3.855654152 Hartree
121	RY*(1)H8 s(100.00%)	0.000778369	0.556647552 Hartree
122	RY*(1)H9 s(100.00%)	0.001019413	0.564395647 Hartree
123	RY*(1)H10 s(100.00%)	0.000821817	0.634544085 Hartree
124	RY*(1)H11 s(100.00%)	0.001957688	0.565962905 Hartree
125	RY*(1)C12 s(2.10%)p43.48(91.23%)d3.18(6.67%)	0.004949458	1.157005968 Hartree
126	RY*(2)C12 s(1.68%)p55.53(93.36%)d2.95(4.96%)	0.003381232	0.908599715 Hartree
127	RY*(3)C12 s(0.10%)p99.99(71.95%)d99.99(27.95%)	0.001460322	0.875475125 Hartree
128	RY*(4)C12 s(89.19%)p0.06(5.45%)d0.06(5.36%)	0.000549363	0.933481476 Hartree
129	RY*(5)C12 s(0.09%)p9.38(0.88%)d99.99(99.03%)	0.000556706	1.740339088 Hartree
130	RY*(6)C12 s(6.28%)p0.55(3.48%)d14.37(90.24%)	0.000293677	2.157056254 Hartree
131	RY*(7)C12 s(0.35%)p76.84(27.05%)d99.99(72.59%)	0.000073588	1.448459117 Hartree
132	RY*(8)C12 s(3.54%)p1.70(6.02%)d25.57(90.44%)	0.000070505	2.216859569 Hartree
133	RY*(9)C12 s(63.58%)p0.01(0.40%)d0.57(36.02%)	0.000044390	3.368775397 Hartree
134	RY*(10)C12 s(33.12%)p0.01(0.29%)d2.01(66.59%)	0.000011054	2.728051404 Hartree
135	RY*(1)C13 s(0.08%)p99.99(93.28%)d87.67(6.65%)	0.005223945	1.100358455 Hartree
136	RY*(2)C13 s(0.19%)p99.99(97.55%)d12.19(2.27%)	0.002744796	0.612095244 Hartree
137	RY*(3)C13 s(4.91%)p8.48(41.61%)d10.89(53.48%)	0.000384609	1.169437435 Hartree
138	RY*(4)C13 s(90.18%)p0.01(1.02%)d0.10(8.80%)	0.000320896	1.014333224 Hartree
139	RY*(5)C13 s(0.90%)p54.78(49.10%)d55.80(50.01%)	0.000275137	1.103897488 Hartree
140	RY*(6)C13 s(2.88%)p0.65(1.88%)d33.08(95.24%)	0.000077357	2.145152186 Hartree
141	RY*(7)C13 s(59.75%)p0.01(0.57%)d0.66(39.68%)	0.000038582	3.332083023 Hartree
142	RY*(8)C13 s(1.43%)p5.84(8.35%)d63.11(90.22%)	0.000008899	1.621547134 Hartree
143	RY*(9)C13 s(7.59%)p0.84(6.34%)d11.35(86.07%)	0.000018395	2.101662999 Hartree
144	RY*(10)C13 s(32.15%)p0.01(0.44%)d2.10(67.41%)	0.000008758	2.680727721 Hartree
145	RY*(1)C14 s(0.01%)p99.99(92.40%)d99.99(7.59%)	0.004346844	1.100166527 Hartree
146	RY*(2)C14 s(0.22%)p99.99(97.63%)d9.69(2.15%)	0.002540030	0.657416319 Hartree
147	RY*(3)C14 s(0.00%)p1.00(41.83%)d1.39(58.17%)	0.000811631	1.206529100 Hartree
148	RY*(4)C14 s(15.05%)p2.62(39.35%)d3.03(45.60%)	0.000262151	1.073119354 Hartree
149	RY*(5)C14 s(81.58%)p0.09(7.66%)d0.13(10.76%)	0.000228833	0.940797911 Hartree
150	RY*(6)C14 s(2.47%)p0.90(2.23%)d38.63(95.30%)	0.000080460	2.203419598 Hartree
151	RY*(7)C14 s(70.27%)p0.00(0.27%)d0.42(29.46%)	0.000037645	3.477381945 Hartree
152	RY*(8)C14 s(1.97%)p3.55(6.99%)d46.21(91.04%)	0.000029712	2.028964468 Hartree
153	RY*(9)C14 s(1.58%)p6.98(11.04%)d55.19(87.37%)	0.000005539	1.581015630 Hartree
154	RY*(10)C14 s(26.90%)p0.03(0.73%)d2.69(72.37%)	0.000007669	2.561719630 Hartree
155	RY*(1)C15 s(0.04%)p99.99(96.38%)d82.85(3.57%)	0.005771979	0.972952479 Hartree
156	RY*(2)C15 s(2.97%)p30.05(89.36%)d2.58(7.67%)	0.004801558	1.100066285 Hartree
157	RY*(3)C15 s(0.02%)p1.62(0.03%)d99.99(99.94%)	0.000675653	1.729133886 Hartree
158	RY*(4)C15 s(0.19%)p99.99(43.95%)d99.99(55.87%)	0.000393805	1.162522979 Hartree
159	RY*(5)C15 s(94.48%)p0.03(2.58%)d0.03(2.94%)	0.000289335	0.824258519 Hartree
160	RY*(6)C15 s(1.18%)p2.83(3.35%)d80.59(95.46%)	0.000138031	2.187314301 Hartree
161	RY*(7)C15 s(0.53%)p16.15(8.54%)d99.99(90.94%)	0.000076531	2.035095576 Hartree
162	RY*(8)C15 s(70.58%)p0.00(0.09%)d0.42(29.33%)	0.000057372	3.524486267 Hartree
163	RY*(9)C15 s(0.26%)p99.99(55.72%)d99.99(44.02%)	0.000016009	1.041685963 Hartree
164	RY*(10)C15 s(29.77%)p0.00(0.09%)d2.36(70.14%)	0.000008094	2.642210510 Hartree
165	RY*(1)C16 s(0.08%)p99.99(93.17%)d87.93(6.76%)	0.005067786	1.106911528 Hartree
166	RY*(2)C16 s(0.11%)p99.99(97.39%)d22.26(2.50%)	0.002482152	0.597992054 Hartree
167	RY*(3)C16 s(0.16%)p99.99(36.42%)d99.99(63.42%)	0.000753090	1.286397279 Hartree
168	RY*(4)C16 s(22.84%)p1.79(40.94%)d1.59(36.22%)	0.000331530	1.027048310 Hartree
169	RY*(5)C16 s(73.62%)p0.18(13.58%)d0.17(12.81%)	0.000254660	0.970192712 Hartree
170	RY*(6)C16 s(1.83%)p1.51(2.76%)d52.08(95.40%)	0.000079541	2.165212841 Hartree
171	RY*(7)C16 s(66.28%)p0.01(0.41%)d0.50(33.30%)	0.000039986	3.324237833 Hartree
172	RY*(8)C16 s(3.84%)p1.60(6.14%)d23.46(90.02%)	0.000017619	2.105912841 Hartree
173	RY*(9)C16 s(0.64%)p14.07(8.95%)d99.99(90.42%)	0.000005715	1.593426899 Hartree
174	RY*(10)C16 s(30.65%)p0.01(0.39%)d2.25(68.96%)	0.000010923	2.650091793 Hartree
175	RY*(1)C17 s(0.31%)p99.99(93.26%)d20.45(6.43%)	0.004849748	1.083944978 Hartree
176	RY*(2)C17 s(0.11%)p99.99(97.04%)d25.96(2.85%)	0.002698629	0.830637195 Hartree
177	RY*(3)C17 s(39.04%)p0.29(11.38%)d1.27(49.58%)	0.000457811	1.285252548 Hartree
178	RY*(4)C17 s(37.34%)p1.49(55.72%)d0.19(6.93%)	0.000380024	0.840602995 Hartree
179	RY*(5)C17 s(11.11%)p0.80(8.91%)d7.20(79.98%)	0.000311484	1.550623008 Hartree
180	RY*(6)C17 s(12.45%)p1.74(21.71%)d5.29(65.84%)	0.000138619	1.484276247 Hartree
181	RY*(7)C17 s(2.17%)p1.71(3.71%)d43.47(94.12%)	0.000076864	2.090520596 Hartree
182	RY*(8)C17 s(0.14%)p55.46(7.53%)d99.99(92.34%)	0.000040519	2.071751810 Hartree
183	RY*(9)C17 s(68.91%)p0.00(0.07%)d0.45(31.02%)	0.000037333	3.489584095 Hartree
184	RY*(10)C17 s(28.46%)p0.03(0.81%)d2.48(70.72%)	0.000008154	2.631598933 Hartree
185	RY*(1)H18 s(100.00%)	0.001164715	0.608062175 Hartree
186	RY*(1)H19 s(100.00%)	0.000775784	0.416968579 Hartree
187	RY*(1)C20 s(1.38%)p65.95(91.33%)d5.26(7.28%)	0.003570412	0.908837322 Hartree
188	RY*(2)C20 s(0.00%)p1.00(73.21%)d0.37(26.79%)	0.001420937	0.730643989 Hartree
189	RY*(3)C20 s(0.04%)p99.99(81.05%)d99.99(18.91%)	0.000953743	0.777315717 Hartree
190	RY*(4)C20 s(80.37%)p0.07(5.49%)d0.18(14.14%)	0.000428551	0.955914391 Hartree
191	RY*(5)C20 s(16.84%)p0.86(14.46%)d4.08(68.71%)	0.000105569	1.586815356 Hartree
192	RY*(6)C20 s(0.07%)p99.99(23.98%)d99.99(75.94%)	0.000087138	1.358287208 Hartree
193	RY*(7)C20 s(16.42%)p0.29(4.71%)d4.80(78.88%)	0.000022907	2.243687093 Hartree
194	RY*(8)C20 s(0.93%)p2.85(2.66%)d99.99(96.40%)	0.000008807	1.580572745 Hartree
195	RY*(9)C20 s(80.45%)p0.03(2.08%)d0.22(17.47%)	0.000002118	3.494273748 Hartree
196	RY*(10)C20 s(3.55%)p0.34(1.19%)d26.84(95.26%)	0.000007010	1.982281586 Hartree
197	RY*(1)C21 s(0.58%)p99.99(93.37%)d10.49(6.06%)	0.002442453	0.688054454 Hartree
198	RY*(2)C21 s(12.27%)p7.05(86.55%)d0.10(1.18%)	0.000417951	0.496608394 Hartree
199	RY*(3)C21 s(0.00%)p1.00(45.25%)d1.21(54.74%)	0.000339323	1.192012578 Hartree
200	RY*(4)C21 s(49.65%)p0.17(8.43%)d0.84(41.93%)	0.000041607	1.628912794 Hartree
201	RY*(5)C21 s(93.05%)p0.03(2.98%)d0.04(3.96%)	0.000002967	3.713413002 Hartree
202	RY*(6)C21 s(2.91%)p0.56(1.62%)d32.84(95.47%)	0.000011107	1.992914174 Hartree
203	RY*(7)C21 s(0.15%)p99.99(33.32%)d99.99(66.53%)	0.000003297	1.266400757 Hartree
204	RY*(8)C21 s(0.86%)p22.01(18.85%)d93.79(80.30%)	0.000001121	1.611915528 Hartree
205	RY*(9)C21 s(39.65%)p0.19(7.39%)d1.34(52.96%)	0.000004821	1.381284592 Hartree
206	RY*(10)C21 s(0.90%)p2.72(2.45%)d99.99(96.65%)	0.000006403	1.920820838 Hartree
207	RY*(1)H22 s(100.00%)	0.000517392	0.485523611 Hartree
208	RY*(1)H23 s(100.00%)	0.000471038	0.505055432 Hartree
209	RY*(1)H24 s(100.00%)	0.000469626	0.505077175 Hartree
210	RY*(1)H25 s(100.00%)	0.000683119	0.391468323 Hartree
211	RY*(1)H26 s(100.00%)	0.000841474	0.480446077 Hartree
212	RY*(1)H27 s(100.00%)	0.000707731	0.425767129 Hartree
213	RY*(1)H28 s(100.00%)	0.001136405	0.536095768 Hartree
214	RY*(1)H29 s(100.00%)	0.001435961	0.546101128 Hartree

Natural Bond Orbitals

Display Range		- / 214
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	BD(1)C1-C2	3388, 3389	1.979682400	-0.702947265 Hartree
2	BD(1)C1-C12	3390, 3391	1.978752340	-0.747698929 Hartree
3	BD(1)C1-H28	3392, 3393	1.961262654	-0.627768458 Hartree
4	BD(1)C1-H29	3394, 3395	1.961473986	-0.629178366 Hartree
5	BD(1)C2-C3	3396, 3397	1.981138534	-0.681937637 Hartree
6	BD(1)C2-C7	3398, 3399	1.983627607	-0.687520106 Hartree
7	BD(1)C2-H11	3400, 3401	1.973033509	-0.604748818 Hartree
8	BD(1)C3-H4	3402, 3403	1.989204101	-0.587062434 Hartree
9	BD(1)C3-H5	3404, 3405	1.989523592	-0.588489635 Hartree
10	BD(1)C3-H6	3406, 3407	1.989946416	-0.590289597 Hartree
11	BD(1)C7-H8	3408, 3409	1.987732279	-0.596237655 Hartree
12	BD(1)C7-H9	3410, 3411	1.988804985	-0.598943425 Hartree
13	BD(1)C7-H10	3412, 3413	1.970513357	-0.615224470 Hartree
14	BD(1)C12-C13	3414, 3415	1.981595246	-0.847886925 Hartree
15	BD(1)C12-C17	3416, 3417	1.979593279	-0.847285997 Hartree
16	BD(1)C13-C14	3418, 3419	1.981273268	-0.842033374 Hartree
17	BD(2)C13-C14	3420, 3421	1.667246537	-0.409060091 Hartree
18	BD(1)C13-H27	3422, 3423	1.982812854	-0.676803782 Hartree
19	BD(1)C14-C15	3424, 3425	1.980659227	-0.864628274 Hartree
20	BD(1)C14-H26	3426, 3427	1.982375860	-0.692809051 Hartree
21	BD(1)C15-C16	3428, 3429	1.981116919	-0.863391230 Hartree
22	BD(1)C15-C20	3430, 3431	1.986225457	-0.816374425 Hartree
23	BD(1)C16-C17	3432, 3433	1.980670892	-0.842210017 Hartree
24	BD(2)C16-C17	3434, 3435	1.648973440	-0.407080602 Hartree
25	BD(1)C16-H19	3436, 3437	1.982497809	-0.688962043 Hartree
26	BD(1)C17-H18	3438, 3439	1.972702498	-0.677824337 Hartree
27	BD(1)C20-C21	3440, 3441	1.993867016	-0.801425675 Hartree
28	BD(1)C20-H25	3442, 3443	1.990368173	-0.740149937 Hartree
29	BD(1)C21-H22	3444, 3445	1.989361950	-0.669559912 Hartree
30	BD(1)C21-H23	3446, 3447	1.957708757	-0.677207889 Hartree
31	BD(1)C21-H24	3448, 3449	1.957769361	-0.677163580 Hartree
32	CR(1)C1	3450	1.999224498	-10.182990881 Hartree
33	CR(1)C2	3451	1.999281917	-10.166003457 Hartree
34	CR(1)C3	3452	1.999429909	-10.138889022 Hartree
35	CR(1)C7	3453	1.999384112	-10.140705039 Hartree
36	CR(1)C12	3454	1.999072123	-10.241620191 Hartree
37	CR(1)C13	3455	1.999080287	-10.223928328 Hartree
38	CR(1)C14	3456	1.999082683	-10.238937967 Hartree
39	CR(1)C15	3457	1.999015129	-10.260153166 Hartree
40	CR(1)C16	3458	1.999056763	-10.237086287 Hartree
41	CR(1)C17	3459	1.999082553	-10.214968139 Hartree
42	CR(1)C20	3460	1.999355981	-10.338841086 Hartree
43	CR(1)C21	3461	1.999409322	-10.237271922 Hartree
44	LP*(1)C12	3462	0.798372144	-0.260529071 Hartree
45	LP(1)C15	3463	1.038723966	-0.292743008 Hartree
46	LP*(1)C20	3464	0.559116542	-0.312549923 Hartree
47	RY*(1)C1	3465	0.003097800	0.774279013 Hartree
48	RY*(2)C1	3466	0.002527731	0.871316891 Hartree
49	RY*(3)C1	3467	0.001940551	0.897081465 Hartree
50	RY*(4)C1	3468	0.000522589	1.358194429 Hartree
51	RY*(5)C1	3469	0.000215986	1.752222761 Hartree
52	RY*(6)C1	3470	0.000080435	1.947140806 Hartree
53	RY*(7)C1	3471	0.000024303	2.123278515 Hartree
54	RY*(8)C1	3472	0.000009598	1.808677703 Hartree
55	RY*(9)C1	3473	0.000008934	3.924461058 Hartree
56	RY*(10)C1	3474	0.000015238	1.947845345 Hartree
57	RY*(1)C2	3475	0.002971189	1.065737171 Hartree
58	RY*(2)C2	3476	0.002171296	0.859763652 Hartree
59	RY*(3)C2	3477	0.001433384	0.697140542 Hartree
60	RY*(4)C2	3478	0.000450996	1.957305678 Hartree
61	RY*(5)C2	3479	0.000368380	1.836618697 Hartree
62	RY*(6)C2	3480	0.000245293	1.485048807 Hartree
63	RY*(7)C2	3481	0.000166742	2.061366888 Hartree
64	RY*(8)C2	3482	0.000121901	1.992948893 Hartree
65	RY*(9)C2	3483	0.000060343	2.009629800 Hartree
66	RY*(10)C2	3484	0.000005302	3.916332069 Hartree
67	RY*(1)C3	3485	0.002554583	0.808498447 Hartree
68	RY*(2)C3	3486	0.002205566	0.810268034 Hartree
69	RY*(3)C3	3487	0.000473401	0.813264704 Hartree
70	RY*(4)C3	3488	0.000125650	1.206189924 Hartree
71	RY*(5)C3	3489	0.000012812	1.945092852 Hartree
72	RY*(6)C3	3490	0.000013242	1.951878676 Hartree
73	RY*(7)C3	3491	0.000008282	1.672774487 Hartree
74	RY*(8)C3	3492	0.000002890	1.945523855 Hartree
75	RY*(9)C3	3493	0.000000640	3.790675342 Hartree
76	RY*(10)C3	3494	0.000007160	1.981111273 Hartree
77	RY*(1)H4	3495	0.000741597	0.567489525 Hartree
78	RY*(1)H5	3496	0.000802143	0.568437658 Hartree
79	RY*(1)H6	3497	0.000975017	0.577963562 Hartree
80	RY*(1)C7	3498	0.002018675	0.869620634 Hartree
81	RY*(2)C7	3499	0.001934177	0.881198385 Hartree
82	RY*(3)C7	3500	0.000479685	0.990011085 Hartree
83	RY*(4)C7	3501	0.000197792	0.994089179 Hartree
84	RY*(5)C7	3502	0.000059978	1.736425544 Hartree
85	RY*(6)C7	3503	0.000015759	1.965095743 Hartree
86	RY*(7)C7	3504	0.000014116	1.993763733 Hartree
87	RY*(8)C7	3505	0.000014619	1.907232420 Hartree
88	RY*(9)C7	3506	0.000012249	1.760788712 Hartree
89	RY*(10)C7	3507	0.000000507	3.855654152 Hartree
90	RY*(1)H8	3508	0.000778369	0.556647552 Hartree
91	RY*(1)H9	3509	0.001019413	0.564395647 Hartree
92	RY*(1)H10	3510	0.000821817	0.634544085 Hartree
93	RY*(1)H11	3511	0.001957688	0.565962905 Hartree
94	RY*(1)C12	3512	0.004949458	1.157005968 Hartree
95	RY*(2)C12	3513	0.003381232	0.908599715 Hartree
96	RY*(3)C12	3514	0.001460322	0.875475125 Hartree
97	RY*(4)C12	3515	0.000549363	0.933481476 Hartree
98	RY*(5)C12	3516	0.000556706	1.740339088 Hartree
99	RY*(6)C12	3517	0.000293677	2.157056254 Hartree
100	RY*(7)C12	3518	0.000073588	1.448459117 Hartree
101	RY*(8)C12	3519	0.000070505	2.216859569 Hartree
102	RY*(9)C12	3520	0.000044390	3.368775397 Hartree
103	RY*(10)C12	3521	0.000011054	2.728051404 Hartree
104	RY*(1)C13	3522	0.005223945	1.100358455 Hartree
105	RY*(2)C13	3523	0.002744796	0.612095244 Hartree
106	RY*(3)C13	3524	0.000384609	1.169437435 Hartree
107	RY*(4)C13	3525	0.000320896	1.014333224 Hartree
108	RY*(5)C13	3526	0.000275137	1.103897488 Hartree
109	RY*(6)C13	3527	0.000077357	2.145152186 Hartree
110	RY*(7)C13	3528	0.000038582	3.332083023 Hartree
111	RY*(8)C13	3529	0.000008899	1.621547134 Hartree
112	RY*(9)C13	3530	0.000018395	2.101662999 Hartree
113	RY*(10)C13	3531	0.000008758	2.680727721 Hartree
114	RY*(1)C14	3532	0.004346844	1.100166527 Hartree
115	RY*(2)C14	3533	0.002540030	0.657416319 Hartree
116	RY*(3)C14	3534	0.000811631	1.206529100 Hartree
117	RY*(4)C14	3535	0.000262151	1.073119354 Hartree
118	RY*(5)C14	3536	0.000228833	0.940797911 Hartree
119	RY*(6)C14	3537	0.000080460	2.203419598 Hartree
120	RY*(7)C14	3538	0.000037645	3.477381945 Hartree
121	RY*(8)C14	3539	0.000029712	2.028964468 Hartree
122	RY*(9)C14	3540	0.000005539	1.581015630 Hartree
123	RY*(10)C14	3541	0.000007669	2.561719630 Hartree
124	RY*(1)C15	3542	0.005771979	0.972952479 Hartree
125	RY*(2)C15	3543	0.004801558	1.100066285 Hartree
126	RY*(3)C15	3544	0.000675653	1.729133886 Hartree
127	RY*(4)C15	3545	0.000393805	1.162522979 Hartree
128	RY*(5)C15	3546	0.000289335	0.824258519 Hartree
129	RY*(6)C15	3547	0.000138031	2.187314301 Hartree
130	RY*(7)C15	3548	0.000076531	2.035095576 Hartree
131	RY*(8)C15	3549	0.000057372	3.524486267 Hartree
132	RY*(9)C15	3550	0.000016009	1.041685963 Hartree
133	RY*(10)C15	3551	0.000008094	2.642210510 Hartree
134	RY*(1)C16	3552	0.005067786	1.106911528 Hartree
135	RY*(2)C16	3553	0.002482152	0.597992054 Hartree
136	RY*(3)C16	3554	0.000753090	1.286397279 Hartree
137	RY*(4)C16	3555	0.000331530	1.027048310 Hartree
138	RY*(5)C16	3556	0.000254660	0.970192712 Hartree
139	RY*(6)C16	3557	0.000079541	2.165212841 Hartree
140	RY*(7)C16	3558	0.000039986	3.324237833 Hartree
141	RY*(8)C16	3559	0.000017619	2.105912841 Hartree
142	RY*(9)C16	3560	0.000005715	1.593426899 Hartree
143	RY*(10)C16	3561	0.000010923	2.650091793 Hartree
144	RY*(1)C17	3562	0.004849748	1.083944978 Hartree
145	RY*(2)C17	3563	0.002698629	0.830637195 Hartree
146	RY*(3)C17	3564	0.000457811	1.285252548 Hartree
147	RY*(4)C17	3565	0.000380024	0.840602995 Hartree
148	RY*(5)C17	3566	0.000311484	1.550623008 Hartree
149	RY*(6)C17	3567	0.000138619	1.484276247 Hartree
150	RY*(7)C17	3568	0.000076864	2.090520596 Hartree
151	RY*(8)C17	3569	0.000040519	2.071751810 Hartree
152	RY*(9)C17	3570	0.000037333	3.489584095 Hartree
153	RY*(10)C17	3571	0.000008154	2.631598933 Hartree
154	RY*(1)H18	3572	0.001164715	0.608062175 Hartree
155	RY*(1)H19	3573	0.000775784	0.416968579 Hartree
156	RY*(1)C20	3574	0.003570412	0.908837322 Hartree
157	RY*(2)C20	3575	0.001420937	0.730643989 Hartree
158	RY*(3)C20	3576	0.000953743	0.777315717 Hartree
159	RY*(4)C20	3577	0.000428551	0.955914391 Hartree
160	RY*(5)C20	3578	0.000105569	1.586815356 Hartree
161	RY*(6)C20	3579	0.000087138	1.358287208 Hartree
162	RY*(7)C20	3580	0.000022907	2.243687093 Hartree
163	RY*(8)C20	3581	0.000008807	1.580572745 Hartree
164	RY*(9)C20	3582	0.000002118	3.494273748 Hartree
165	RY*(10)C20	3583	0.000007010	1.982281586 Hartree
166	RY*(1)C21	3584	0.002442453	0.688054454 Hartree
167	RY*(2)C21	3585	0.000417951	0.496608394 Hartree
168	RY*(3)C21	3586	0.000339323	1.192012578 Hartree
169	RY*(4)C21	3587	0.000041607	1.628912794 Hartree
170	RY*(5)C21	3588	0.000002967	3.713413002 Hartree
171	RY*(6)C21	3589	0.000011107	1.992914174 Hartree
172	RY*(7)C21	3590	0.000003297	1.266400757 Hartree
173	RY*(8)C21	3591	0.000001121	1.611915528 Hartree
174	RY*(9)C21	3592	0.000004821	1.381284592 Hartree
175	RY*(10)C21	3593	0.000006403	1.920820838 Hartree
176	RY*(1)H22	3594	0.000517392	0.485523611 Hartree
177	RY*(1)H23	3595	0.000471038	0.505055432 Hartree
178	RY*(1)H24	3596	0.000469626	0.505077175 Hartree
179	RY*(1)H25	3597	0.000683119	0.391468323 Hartree
180	RY*(1)H26	3598	0.000841474	0.480446077 Hartree
181	RY*(1)H27	3599	0.000707731	0.425767129 Hartree
182	RY*(1)H28	3600	0.001136405	0.536095768 Hartree
183	RY*(1)H29	3601	0.001435961	0.546101128 Hartree
184	BD*(1)C1-C2		0.019703560	0.257486396 Hartree
185	BD*(1)C1-C12		0.019667001	0.250109359 Hartree
186	BD*(1)C1-H28		0.010884791	0.338887426 Hartree
187	BD*(1)C1-H29		0.012434489	0.332584257 Hartree
188	BD*(1)C2-C3		0.012020919	0.281421960 Hartree
189	BD*(1)C2-C7		0.015465142	0.263065731 Hartree
190	BD*(1)C2-H11		0.019933399	0.362056516 Hartree
191	BD*(1)C3-H4		0.004842930	0.376155153 Hartree
192	BD*(1)C3-H5		0.005343250	0.372079368 Hartree
193	BD*(1)C3-H6		0.006846553	0.365983798 Hartree
194	BD*(1)C7-H8		0.005968298	0.366066981 Hartree
195	BD*(1)C7-H9		0.008858780	0.360292996 Hartree
196	BD*(1)C7-H10		0.016568289	0.367203017 Hartree
197	BD*(1)C12-C13		0.019122402	0.378514776 Hartree
198	BD*(1)C12-C17		0.021422380	0.375715344 Hartree
199	BD*(1)C13-C14		0.011660317	0.374886548 Hartree
200	BD*(2)C13-C14		0.197984519	-0.137895573 Hartree
201	BD*(1)C13-H27		0.010145922	0.324577539 Hartree
202	BD*(1)C14-C15		0.020171495	0.362048798 Hartree
203	BD*(1)C14-H26		0.010300906	0.309322244 Hartree
204	BD*(1)C15-C16		0.019212899	0.362935423 Hartree
205	BD*(1)C15-C20		0.023282741	0.199020012 Hartree
206	BD*(1)C16-C17		0.013675146	0.380305501 Hartree
207	BD*(2)C16-C17		0.216795947	-0.135055600 Hartree
208	BD*(1)C16-H19		0.009855538	0.311858010 Hartree
209	BD*(1)C17-H18		0.016474890	0.317972963 Hartree
210	BD*(1)C20-C21		0.002585853	0.184911871 Hartree
211	BD*(1)C20-H25		0.006925833	0.298971582 Hartree
212	BD*(1)C21-H22		0.003655388	0.312962756 Hartree
213	BD*(1)C21-H23		0.004569488	0.293670836 Hartree
214	BD*(1)C21-H24		0.004538644	0.293694567 Hartree

Quote

"THE ACADEMIC HIERARCHY" THE PRESIDENT: LEAPS TALL BUILDINGS IN A SINGLE BOUND, IS MORE POWERFUL THAN A LOCOMOTIVE, IS FASTER THAN A SPEEDING BULLET, WALKS ON WATER, GIVES POLICY TO GOD. THE VICE PRESIDENT FOR ACADEMIC AFFAIRS: LEAPS SHORT BUILDINGS IN A SINGLE BOUND, IS MORE POWERFUL THAN A SWITCH ENGINE, IS JUST AS FAST AS A SPEEDING BULLET, WALKS ON WATER IF SEA IS CALM, TALKS WITH GOD. PROFESSOR: LEAPS SHORT BUILDINGS WITH A RUNNING START AND FAVORABLE WINDS, IS ALMOST AS POWERFUL AS A SWITCH ENGINE, CAN FIRE A SPEEDING BULLET, WALKS ON WATER IN AN INDOOR SWIMMING POOL, TALKS WITH GOD IF SPECIAL REQUEST IS APPROVED. ASSOCIATE PROFESSOR: BARELY CLEARS A QUONSET HUT, LOSES TUG OF WAR WITH LOCOMOTIVE, MISFIRES FREQUENTLY, SWIMS WELL, IS OCCASIONALLY ADDRESSED BY GOD. ASSISTANT PROFESSOR: MAKES HIGH MARKS ON WALLS WHEN TRYING TO LEAP TALL BUILDINGS, IS RUN OVER BY LOCOMOTIVES, CAN SOMETIMES HANDLE A GUN WITHOUT INFLICTING SELF INJURY, DOG PADDLES, TALKS TO ANIMALS. GRADUATE STUDENT: RUNS INTO BUILDINGS, RECOGNIZES LOCOMOTIVES TWO OUT OF THREE TIMES, IS NOT ISSUED AMMUNITION, CAN STAY AFLOAT WITH A LIFE JACKET, TALKS TO WALLS. UNDERGRADUATE AND WORK STUDY STUDENT: FALLS OVER DOORSTEP WHEN TRYING TO ENTER BUILDINGS, SAYS, "LOOK AT THE CHOO-CHOO," WETS HIMSELF WITH A WATER PISTOL, PLAYS IN MUD PUDDLES, MUMBLES TO HIMSELF. DEPARTMENT SECRETARY: LIFTS TALL BUILDINGS AND WALKS UNDER THEM, KICKS LOCOMOTIVES OFF THE TRACKS, CATCHES SPEEDING BULLETS IN HER TEETH AND EATS THEM, FREEZES WATER WITH A SINGLE GLANCE, IS GOD.