WebMO Job Summary

Overview

Quantity	Value
Route	#N M062X/6-31G(d) SP GFINPUT POP=(FULL,NBO6Read) Geom=Connectivity
Stoichiometry	C₁₄H₁₃N
Symmetry	C1
Basis	6-31G(d)
RM062X Energy	-595.802156344 Hartree
Dipole Moment	1.2375 Debye
Server	batch (203312)
CPU time	330.2 sec

Rotational Constants

Constant	Frequency (GHz)	Frequency (cm^-1)
a	2.6428215	0.08815503624
b	0.2173347	0.00724950526
c	0.2050042	0.00683820405

Partial Charges

Atom	Symbol	Charge
1	C	-0.545971
2	C	0.121466
3	C	-0.207992
4	C	-0.165084
5	C	0.223826
6	C	-0.173024
7	C	-0.214345
8	H	0.155356
9	H	0.161601
10	N	-0.471359
11	C	0.049093
12	C	0.068957
13	C	-0.173368
14	C	-0.167775
15	C	-0.155791
16	C	-0.169222
17	C	-0.199276
18	H	0.164069
19	H	0.167591
20	H	0.167506
21	H	0.168864
22	H	0.195520
23	H	0.145711
24	H	0.170488
25	H	0.156449
26	H	0.174239
27	H	0.169790
28	H	0.182678

Molecular Orbitals

Display Range		- / 251
Orbital	Symmetry	Occupancy	Energy	Actions
1	-	2	-14.75911 Hartree
2	-	2	-10.59603 Hartree
3	-	2	-10.57572 Hartree
4	-	2	-10.55910 Hartree
5	-	2	-10.55777 Hartree
6	-	2	-10.55646 Hartree
7	-	2	-10.55464 Hartree
8	-	2	-10.55332 Hartree
9	-	2	-10.55315 Hartree
10	-	2	-10.55117 Hartree
11	-	2	-10.54713 Hartree
12	-	2	-10.54573 Hartree
13	-	2	-10.54462 Hartree
14	-	2	-10.54309 Hartree
15	-	2	-10.54026 Hartree
16	-	2	-1.04400 Hartree
17	-	2	-0.96460 Hartree
18	-	2	-0.94795 Hartree
19	-	2	-0.87329 Hartree
20	-	2	-0.84672 Hartree
21	-	2	-0.84206 Hartree
22	-	2	-0.83711 Hartree
23	-	2	-0.77611 Hartree
24	-	2	-0.72329 Hartree
25	-	2	-0.69255 Hartree
26	-	2	-0.69029 Hartree
27	-	2	-0.66378 Hartree
28	-	2	-0.63414 Hartree
29	-	2	-0.59121 Hartree
30	-	2	-0.58718 Hartree
31	-	2	-0.54132 Hartree
32	-	2	-0.53252 Hartree
33	-	2	-0.52503 Hartree
34	-	2	-0.50652 Hartree
35	-	2	-0.49500 Hartree
36	-	2	-0.48963 Hartree
37	-	2	-0.48725 Hartree
38	-	2	-0.48227 Hartree
39	-	2	-0.48002 Hartree
40	-	2	-0.46019 Hartree
41	-	2	-0.44510 Hartree
42	-	2	-0.43254 Hartree
43	-	2	-0.41077 Hartree
44	-	2	-0.40818 Hartree
45	-	2	-0.40085 Hartree
46	-	2	-0.39646 Hartree
47	-	2	-0.38492 Hartree
48	-	2	-0.33593 Hartree
49	-	2	-0.30743 Hartree
50	-	2	-0.30328 Hartree
51	-	2	-0.29955 Hartree
52	-	2	-0.26145 Hartree
53	-	0	-0.02029 Hartree
54	-	0	0.03346 Hartree
55	-	0	0.03811 Hartree
56	-	0	0.05168 Hartree
57	-	0	0.10142 Hartree
58	-	0	0.13936 Hartree
59	-	0	0.14568 Hartree
60	-	0	0.16145 Hartree
61	-	0	0.17234 Hartree
62	-	0	0.18638 Hartree
63	-	0	0.20051 Hartree
64	-	0	0.20449 Hartree
65	-	0	0.20986 Hartree
66	-	0	0.21589 Hartree
67	-	0	0.22598 Hartree
68	-	0	0.22830 Hartree
69	-	0	0.23438 Hartree
70	-	0	0.23703 Hartree
71	-	0	0.25238 Hartree
72	-	0	0.25733 Hartree
73	-	0	0.27712 Hartree
74	-	0	0.30348 Hartree
75	-	0	0.30776 Hartree
76	-	0	0.34653 Hartree
77	-	0	0.34872 Hartree
78	-	0	0.35188 Hartree
79	-	0	0.37665 Hartree
80	-	0	0.38170 Hartree
81	-	0	0.39110 Hartree
82	-	0	0.40150 Hartree
83	-	0	0.41133 Hartree
84	-	0	0.48184 Hartree
85	-	0	0.52759 Hartree
86	-	0	0.54598 Hartree
87	-	0	0.55180 Hartree
88	-	0	0.56176 Hartree
89	-	0	0.57324 Hartree
90	-	0	0.57661 Hartree
91	-	0	0.59147 Hartree
92	-	0	0.59534 Hartree
93	-	0	0.60303 Hartree
94	-	0	0.60971 Hartree
95	-	0	0.61824 Hartree
96	-	0	0.62292 Hartree
97	-	0	0.62683 Hartree
98	-	0	0.63998 Hartree
99	-	0	0.64434 Hartree
100	-	0	0.64724 Hartree
101	-	0	0.65175 Hartree
102	-	0	0.65926 Hartree
103	-	0	0.66235 Hartree
104	-	0	0.66769 Hartree
105	-	0	0.67398 Hartree
106	-	0	0.67952 Hartree
107	-	0	0.69051 Hartree
108	-	0	0.70128 Hartree
109	-	0	0.71226 Hartree
110	-	0	0.72452 Hartree
111	-	0	0.72563 Hartree
112	-	0	0.75529 Hartree
113	-	0	0.77410 Hartree
114	-	0	0.78187 Hartree
115	-	0	0.78632 Hartree
116	-	0	0.80646 Hartree
117	-	0	0.81992 Hartree
118	-	0	0.84554 Hartree
119	-	0	0.86797 Hartree
120	-	0	0.88022 Hartree
121	-	0	0.89004 Hartree
122	-	0	0.90508 Hartree
123	-	0	0.90939 Hartree
124	-	0	0.91235 Hartree
125	-	0	0.91775 Hartree
126	-	0	0.92234 Hartree
127	-	0	0.93239 Hartree
128	-	0	0.93397 Hartree
129	-	0	0.94365 Hartree
130	-	0	0.96429 Hartree
131	-	0	0.96871 Hartree
132	-	0	0.97465 Hartree
133	-	0	0.98101 Hartree
134	-	0	0.99926 Hartree
135	-	0	1.00076 Hartree
136	-	0	1.02201 Hartree
137	-	0	1.03476 Hartree
138	-	0	1.05416 Hartree
139	-	0	1.06074 Hartree
140	-	0	1.07175 Hartree
141	-	0	1.10780 Hartree
142	-	0	1.12064 Hartree
143	-	0	1.12387 Hartree
144	-	0	1.15344 Hartree
145	-	0	1.16570 Hartree
146	-	0	1.19900 Hartree
147	-	0	1.21586 Hartree
148	-	0	1.22382 Hartree
149	-	0	1.23630 Hartree
150	-	0	1.25071 Hartree
151	-	0	1.28941 Hartree
152	-	0	1.30329 Hartree
153	-	0	1.31212 Hartree
154	-	0	1.34084 Hartree
155	-	0	1.37555 Hartree
156	-	0	1.39637 Hartree
157	-	0	1.41300 Hartree
158	-	0	1.45029 Hartree
159	-	0	1.47527 Hartree
160	-	0	1.48258 Hartree
161	-	0	1.48931 Hartree
162	-	0	1.49653 Hartree
163	-	0	1.50894 Hartree
164	-	0	1.52254 Hartree
165	-	0	1.53157 Hartree
166	-	0	1.54076 Hartree
167	-	0	1.54352 Hartree
168	-	0	1.55950 Hartree
169	-	0	1.56972 Hartree
170	-	0	1.57568 Hartree
171	-	0	1.66558 Hartree
172	-	0	1.71489 Hartree
173	-	0	1.80716 Hartree
174	-	0	1.82627 Hartree
175	-	0	1.84962 Hartree
176	-	0	1.85886 Hartree
177	-	0	1.86522 Hartree
178	-	0	1.88505 Hartree
179	-	0	1.89502 Hartree
180	-	0	1.91229 Hartree
181	-	0	1.93106 Hartree
182	-	0	1.94594 Hartree
183	-	0	1.96182 Hartree
184	-	0	1.96748 Hartree
185	-	0	1.98285 Hartree
186	-	0	2.02634 Hartree
187	-	0	2.03547 Hartree
188	-	0	2.04572 Hartree
189	-	0	2.06197 Hartree
190	-	0	2.06494 Hartree
191	-	0	2.10185 Hartree
192	-	0	2.11145 Hartree
193	-	0	2.14589 Hartree
194	-	0	2.16681 Hartree
195	-	0	2.17267 Hartree
196	-	0	2.18412 Hartree
197	-	0	2.18782 Hartree
198	-	0	2.20035 Hartree
199	-	0	2.22884 Hartree
200	-	0	2.24494 Hartree
201	-	0	2.24816 Hartree
202	-	0	2.29714 Hartree
203	-	0	2.31241 Hartree
204	-	0	2.33235 Hartree
205	-	0	2.33863 Hartree
206	-	0	2.35016 Hartree
207	-	0	2.35060 Hartree
208	-	0	2.35771 Hartree
209	-	0	2.39183 Hartree
210	-	0	2.40041 Hartree
211	-	0	2.43649 Hartree
212	-	0	2.47666 Hartree
213	-	0	2.51907 Hartree
214	-	0	2.53761 Hartree
215	-	0	2.59683 Hartree
216	-	0	2.61992 Hartree
217	-	0	2.63051 Hartree
218	-	0	2.65945 Hartree
219	-	0	2.66409 Hartree
220	-	0	2.68418 Hartree
221	-	0	2.69603 Hartree
222	-	0	2.75699 Hartree
223	-	0	2.76455 Hartree
224	-	0	2.77281 Hartree
225	-	0	2.78230 Hartree
226	-	0	2.80115 Hartree
227	-	0	2.83376 Hartree
228	-	0	2.84181 Hartree
229	-	0	2.89159 Hartree
230	-	0	2.96698 Hartree
231	-	0	2.99025 Hartree
232	-	0	3.00337 Hartree
233	-	0	3.18730 Hartree
234	-	0	3.24293 Hartree
235	-	0	3.43679 Hartree
236	-	0	3.44977 Hartree
237	-	0	4.08906 Hartree
238	-	0	4.11906 Hartree
239	-	0	4.12891 Hartree
240	-	0	4.13613 Hartree
241	-	0	4.14913 Hartree
242	-	0	4.15352 Hartree
243	-	0	4.18717 Hartree
244	-	0	4.23695 Hartree
245	-	0	4.29055 Hartree
246	-	0	4.35693 Hartree
247	-	0	4.36813 Hartree
248	-	0	4.42745 Hartree
249	-	0	4.49061 Hartree
250	-	0	4.72938 Hartree
251	-	0	4.76668 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom	Symbol	Charge
1	C	-0.70608
2	C	-0.04401
3	C	-0.23251
4	C	-0.22993
5	C	0.12224
6	C	-0.25983
7	C	-0.23169
8	H	0.24105
9	H	0.24431
10	N	-0.44604
11	C	0.11446
12	C	-0.11696
13	C	-0.19926
14	C	-0.24155
15	C	-0.22924
16	C	-0.24371
17	C	-0.21447
18	H	0.24199
19	H	0.24689
20	H	0.24589
21	H	0.24735
22	H	0.26463
23	H	0.19028
24	H	0.25336
25	H	0.24154
26	H	0.24691
27	H	0.24322
28	H	0.25117

Natural Atomic Orbitals

Display Range		- / 251
Orbital	Description	Occupancy	Energy	Actions
1	C1 Cor(1s)	1.999995182	-10.540219803 Hartree
2	C1 Val(2s)	1.096551155	-0.196343094 Hartree
3	C1 Ryd(3s)	0.000223720	1.408521277 Hartree
4	C1 Ryd(4s)	0.000011732	4.202636357 Hartree
5	C1 Val(2p)	1.091413046	-0.060537343 Hartree
6	C1 Ryd(3p)	0.000875250	0.574324227 Hartree
7	C1 Val(2p)	1.255258607	-0.100688232 Hartree
8	C1 Ryd(3p)	0.002443764	0.716446689 Hartree
9	C1 Val(2p)	1.254764139	-0.101005645 Hartree
10	C1 Ryd(3p)	0.000700737	0.689336615 Hartree
11	C1 Ryd(3d)	0.000419632	2.085556293 Hartree
12	C1 Ryd(3d)	0.000788399	2.052027793 Hartree
13	C1 Ryd(3d)	0.000777179	2.023349589 Hartree
14	C1 Ryd(3d)	0.000960333	2.265829280 Hartree
15	C1 Ryd(3d)	0.000893540	2.155544054 Hartree
16	C2 Cor(1s)	1.999997035	-10.553253783 Hartree
17	C2 Val(2s)	0.886555277	-0.066413978 Hartree
18	C2 Ryd(3s)	0.000282693	1.070025648 Hartree
19	C2 Ryd(4s)	0.000055653	4.323618694 Hartree
20	C2 Val(2p)	1.063606793	-0.013981538 Hartree
21	C2 Ryd(3p)	0.004174315	1.229600237 Hartree
22	C2 Val(2p)	1.073360751	-0.017103982 Hartree
23	C2 Ryd(3p)	0.003268709	0.931275281 Hartree
24	C2 Val(2p)	1.007786439	-0.079571122 Hartree
25	C2 Ryd(3p)	0.002059009	0.779361513 Hartree
26	C2 Ryd(3d)	0.000697006	2.410565602 Hartree
27	C2 Ryd(3d)	0.000553692	2.052821953 Hartree
28	C2 Ryd(3d)	0.000520425	2.190899014 Hartree
29	C2 Ryd(3d)	0.000579696	2.380692838 Hartree
30	C2 Ryd(3d)	0.000509470	2.187431598 Hartree
31	C3 Cor(1s)	1.999996875	-10.544490050 Hartree
32	C3 Val(2s)	0.952841441	-0.085507840 Hartree
33	C3 Ryd(3s)	0.000521932	1.387942523 Hartree
34	C3 Ryd(4s)	0.000047751	3.982949773 Hartree
35	C3 Val(2p)	1.111629421	-0.015140742 Hartree
36	C3 Ryd(3p)	0.003967330	0.938638882 Hartree
37	C3 Val(2p)	1.123637843	-0.037904694 Hartree
38	C3 Ryd(3p)	0.003945877	0.970738916 Hartree
39	C3 Val(2p)	1.031629580	-0.092345010 Hartree
40	C3 Ryd(3p)	0.001089783	0.751834031 Hartree
41	C3 Ryd(3d)	0.000825188	2.352593124 Hartree
42	C3 Ryd(3d)	0.000583859	2.019562681 Hartree
43	C3 Ryd(3d)	0.000594392	2.105528743 Hartree
44	C3 Ryd(3d)	0.000657724	2.379592453 Hartree
45	C3 Ryd(3d)	0.000543062	2.157540447 Hartree
46	C4 Cor(1s)	1.999996836	-10.543174101 Hartree
47	C4 Val(2s)	0.959096535	-0.088462750 Hartree
48	C4 Ryd(3s)	0.000713976	1.317479906 Hartree
49	C4 Ryd(4s)	0.000052969	4.066553368 Hartree
50	C4 Val(2p)	1.080413600	-0.002190210 Hartree
51	C4 Ryd(3p)	0.004734133	0.861977743 Hartree
52	C4 Val(2p)	1.156727836	-0.050273062 Hartree
53	C4 Ryd(3p)	0.004308685	1.058021867 Hartree
54	C4 Val(2p)	1.019333999	-0.089078073 Hartree
55	C4 Ryd(3p)	0.001404709	0.738270800 Hartree
56	C4 Ryd(3d)	0.000830143	2.356068349 Hartree
57	C4 Ryd(3d)	0.000550995	2.054518838 Hartree
58	C4 Ryd(3d)	0.000575137	2.068137230 Hartree
59	C4 Ryd(3d)	0.000628228	2.379091307 Hartree
60	C4 Ryd(3d)	0.000562379	2.180738974 Hartree
61	C5 Cor(1s)	1.999996455	-10.575682106 Hartree
62	C5 Val(2s)	0.848767551	-0.052654315 Hartree
63	C5 Ryd(3s)	0.001183911	1.128683016 Hartree
64	C5 Ryd(4s)	0.000114341	4.199125164 Hartree
65	C5 Val(2p)	0.914262977	0.019140295 Hartree
66	C5 Ryd(3p)	0.006393331	1.143001304 Hartree
67	C5 Val(2p)	1.072045157	-0.021327020 Hartree
68	C5 Ryd(3p)	0.005920132	1.003710058 Hartree
69	C5 Val(2p)	1.023391266	-0.089366997 Hartree
70	C5 Ryd(3p)	0.001520607	0.769931613 Hartree
71	C5 Ryd(3d)	0.001245727	2.497567860 Hartree
72	C5 Ryd(3d)	0.000983223	2.119673625 Hartree
73	C5 Ryd(3d)	0.000539527	2.200463456 Hartree
74	C5 Ryd(3d)	0.000858699	2.451271061 Hartree
75	C5 Ryd(3d)	0.000535829	2.245226390 Hartree
76	C6 Cor(1s)	1.999996823	-10.546990064 Hartree
77	C6 Val(2s)	0.957941325	-0.092397358 Hartree
78	C6 Ryd(3s)	0.000808043	1.207482375 Hartree
79	C6 Ryd(4s)	0.000067513	4.173603705 Hartree
80	C6 Val(2p)	1.118619859	-0.022388788 Hartree
81	C6 Ryd(3p)	0.003658822	0.964207830 Hartree
82	C6 Val(2p)	1.112383901	-0.043257351 Hartree
83	C6 Ryd(3p)	0.003801614	0.949384266 Hartree
84	C6 Val(2p)	1.058155339	-0.096514481 Hartree
85	C6 Ryd(3p)	0.001231894	0.778956667 Hartree
86	C6 Ryd(3d)	0.000787494	2.344015096 Hartree
87	C6 Ryd(3d)	0.000582585	2.024472378 Hartree
88	C6 Ryd(3d)	0.000640372	2.126145950 Hartree
89	C6 Ryd(3d)	0.000615920	2.387122626 Hartree
90	C6 Ryd(3d)	0.000542200	2.151251160 Hartree
91	C7 Cor(1s)	1.999996879	-10.545831315 Hartree
92	C7 Val(2s)	0.951384364	-0.085796530 Hartree
93	C7 Ryd(3s)	0.000601577	1.374255678 Hartree
94	C7 Ryd(4s)	0.000047065	3.991118358 Hartree
95	C7 Val(2p)	1.080921479	-0.005182353 Hartree
96	C7 Ryd(3p)	0.003709270	0.846126787 Hartree
97	C7 Val(2p)	1.157624071	-0.052824918 Hartree
98	C7 Ryd(3p)	0.004340526	1.055400668 Hartree
99	C7 Val(2p)	1.028571711	-0.090296340 Hartree
100	C7 Ryd(3p)	0.001303974	0.745230589 Hartree
101	C7 Ryd(3d)	0.000750482	2.335867367 Hartree
102	C7 Ryd(3d)	0.000565632	2.060782816 Hartree
103	C7 Ryd(3d)	0.000586229	2.089378968 Hartree
104	C7 Ryd(3d)	0.000729056	2.369279771 Hartree
105	C7 Ryd(3d)	0.000559729	2.154128534 Hartree
106	H8 Val(1s)	0.758062255	0.131155145 Hartree
107	H8 Ryd(2s)	0.000890306	0.638372018 Hartree
108	H9 Val(1s)	0.754687827	0.128711422 Hartree
109	H9 Ryd(2s)	0.001003393	0.658154538 Hartree
110	N10 Cor(1s)	1.999997799	-14.759076034 Hartree
111	N10 Val(2s)	1.357140938	-0.414810774 Hartree
112	N10 Ryd(3s)	0.001387785	1.880394738 Hartree
113	N10 Ryd(4s)	0.000017948	3.832920321 Hartree
114	N10 Val(2p)	1.252585860	-0.144284438 Hartree
115	N10 Ryd(3p)	0.003316394	1.279529698 Hartree
116	N10 Val(2p)	1.615678623	-0.241571922 Hartree
117	N10 Ryd(3p)	0.005281304	1.002869000 Hartree
118	N10 Val(2p)	1.199140076	-0.189680598 Hartree
119	N10 Ryd(3p)	0.001656736	0.904169411 Hartree
120	N10 Ryd(3d)	0.002299884	2.486912510 Hartree
121	N10 Ryd(3d)	0.000589290	2.063300163 Hartree
122	N10 Ryd(3d)	0.002860254	2.014865023 Hartree
123	N10 Ryd(3d)	0.002202798	2.366902027 Hartree
124	N10 Ryd(3d)	0.001885923	2.179149484 Hartree
125	C11 Cor(1s)	1.999997279	-10.596004485 Hartree
126	C11 Val(2s)	0.930838718	-0.109768074 Hartree
127	C11 Ryd(3s)	0.005006630	1.086718701 Hartree
128	C11 Ryd(4s)	0.000101232	3.948754298 Hartree
129	C11 Val(2p)	0.984469071	0.002829840 Hartree
130	C11 Ryd(3p)	0.002363121	0.884125086 Hartree
131	C11 Val(2p)	1.052552052	-0.031724811 Hartree
132	C11 Ryd(3p)	0.006645103	0.981518624 Hartree
133	C11 Val(2p)	0.896696101	-0.105023462 Hartree
134	C11 Ryd(3p)	0.001561979	0.698872295 Hartree
135	C11 Ryd(3d)	0.001001197	2.421884424 Hartree
136	C11 Ryd(3d)	0.000923598	2.034520955 Hartree
137	C11 Ryd(3d)	0.000908594	2.073984464 Hartree
138	C11 Ryd(3d)	0.001889643	2.470516453 Hartree
139	C11 Ryd(3d)	0.000587196	2.206924654 Hartree
140	C12 Cor(1s)	1.999996998	-10.558943367 Hartree
141	C12 Val(2s)	0.893634959	-0.068604061 Hartree
142	C12 Ryd(3s)	0.000534028	1.078658633 Hartree
143	C12 Ryd(4s)	0.000070737	4.293175414 Hartree
144	C12 Val(2p)	1.077917102	-0.026055191 Hartree
145	C12 Ryd(3p)	0.005007708	1.259156362 Hartree
146	C12 Val(2p)	1.096022392	-0.029610026 Hartree
147	C12 Ryd(3p)	0.005155795	1.107171046 Hartree
148	C12 Val(2p)	1.034609841	-0.097854755 Hartree
149	C12 Ryd(3p)	0.001307093	0.792657024 Hartree
150	C12 Ryd(3d)	0.000551911	2.469260883 Hartree
151	C12 Ryd(3d)	0.000421296	2.009566012 Hartree
152	C12 Ryd(3d)	0.000543976	2.141947433 Hartree
153	C12 Ryd(3d)	0.000677572	2.455581740 Hartree
154	C12 Ryd(3d)	0.000512899	2.238424915 Hartree
155	C13 Cor(1s)	1.999996800	-10.551237780 Hartree
156	C13 Val(2s)	0.958865405	-0.091887569 Hartree
157	C13 Ryd(3s)	0.000591811	1.342039078 Hartree
158	C13 Ryd(4s)	0.000043163	4.027850871 Hartree
159	C13 Val(2p)	1.117370741	-0.018441817 Hartree
160	C13 Ryd(3p)	0.004651429	0.999793726 Hartree
161	C13 Val(2p)	1.130665917	-0.038791574 Hartree
162	C13 Ryd(3p)	0.004228387	0.968522369 Hartree
163	C13 Val(2p)	0.978755467	-0.093691989 Hartree
164	C13 Ryd(3p)	0.000945830	0.719143870 Hartree
165	C13 Ryd(3d)	0.000857763	2.360187940 Hartree
166	C13 Ryd(3d)	0.000537490	1.988791203 Hartree
167	C13 Ryd(3d)	0.000505008	2.063930444 Hartree
168	C13 Ryd(3d)	0.000672585	2.403460595 Hartree
169	C13 Ryd(3d)	0.000570085	2.192355322 Hartree
170	C14 Cor(1s)	1.999996846	-10.553084491 Hartree
171	C14 Val(2s)	0.965850610	-0.105099026 Hartree
172	C14 Ryd(3s)	0.000570514	1.363540364 Hartree
173	C14 Ryd(4s)	0.000039770	3.978308094 Hartree
174	C14 Val(2p)	1.084714322	-0.010083883 Hartree
175	C14 Ryd(3p)	0.004382788	0.807846585 Hartree
176	C14 Val(2p)	1.160938455	-0.054138634 Hartree
177	C14 Ryd(3p)	0.004526540	1.058479223 Hartree
178	C14 Val(2p)	1.016258777	-0.101305130 Hartree
179	C14 Ryd(3p)	0.001067218	0.723109158 Hartree
180	C14 Ryd(3d)	0.000789642	2.359125519 Hartree
181	C14 Ryd(3d)	0.000551422	2.015829931 Hartree
182	C14 Ryd(3d)	0.000550777	2.015096363 Hartree
183	C14 Ryd(3d)	0.000735923	2.371986748 Hartree
184	C14 Ryd(3d)	0.000574277	2.174561835 Hartree
185	C15 Cor(1s)	1.999996881	-10.556303085 Hartree
186	C15 Val(2s)	0.968740170	-0.110188056 Hartree
187	C15 Ryd(3s)	0.000497449	1.355740395 Hartree
188	C15 Ryd(4s)	0.000035414	3.974978917 Hartree
189	C15 Val(2p)	1.201254851	-0.056033743 Hartree
190	C15 Ryd(3p)	0.005073161	1.156329945 Hartree
191	C15 Val(2p)	1.054083632	-0.017095857 Hartree
192	C15 Ryd(3p)	0.003683824	0.736094428 Hartree
193	C15 Val(2p)	0.991608061	-0.097656582 Hartree
194	C15 Ryd(3p)	0.001058224	0.681588268 Hartree
195	C15 Ryd(3d)	0.000662560	2.350818305 Hartree
196	C15 Ryd(3d)	0.000400501	1.904471340 Hartree
197	C15 Ryd(3d)	0.000559464	2.137925131 Hartree
198	C15 Ryd(3d)	0.000923293	2.335219963 Hartree
199	C15 Ryd(3d)	0.000664194	2.173086302 Hartree
200	C16 Cor(1s)	1.999996847	-10.554738048 Hartree
201	C16 Val(2s)	0.963851041	-0.106269225 Hartree
202	C16 Ryd(3s)	0.000569645	1.370590042 Hartree
203	C16 Ryd(4s)	0.000035462	3.960860611 Hartree
204	C16 Val(2p)	1.109709177	-0.022756401 Hartree
205	C16 Ryd(3p)	0.004557055	0.885529832 Hartree
206	C16 Val(2p)	1.138907889	-0.047694775 Hartree
207	C16 Ryd(3p)	0.004530264	0.981344186 Hartree
208	C16 Val(2p)	1.017240761	-0.102272903 Hartree
209	C16 Ryd(3p)	0.001128147	0.709347089 Hartree
210	C16 Ryd(3d)	0.000851638	2.343788451 Hartree
211	C16 Ryd(3d)	0.000505997	1.984487496 Hartree
212	C16 Ryd(3d)	0.000542114	2.047073790 Hartree
213	C16 Ryd(3d)	0.000675567	2.370422333 Hartree
214	C16 Ryd(3d)	0.000604067	2.175415808 Hartree
215	C17 Cor(1s)	1.999996905	-10.557802057 Hartree
216	C17 Val(2s)	0.954674602	-0.098925583 Hartree
217	C17 Ryd(3s)	0.000515606	1.388137332 Hartree
218	C17 Ryd(4s)	0.000045866	3.965077845 Hartree
219	C17 Val(2p)	1.087020589	-0.016700178 Hartree
220	C17 Ryd(3p)	0.003604852	0.866157743 Hartree
221	C17 Val(2p)	1.153877310	-0.056168612 Hartree
222	C17 Ryd(3p)	0.004262388	1.052254747 Hartree
223	C17 Val(2p)	1.006311101	-0.104814222 Hartree
224	C17 Ryd(3p)	0.001008770	0.720385463 Hartree
225	C17 Ryd(3d)	0.000805568	2.352581197 Hartree
226	C17 Ryd(3d)	0.000557944	2.005802628 Hartree
227	C17 Ryd(3d)	0.000524761	2.027336926 Hartree
228	C17 Ryd(3d)	0.000699203	2.398334845 Hartree
229	C17 Ryd(3d)	0.000562724	2.181999263 Hartree
230	H18 Val(1s)	0.757020796	0.121902135 Hartree
231	H18 Ryd(2s)	0.000984927	0.633410949 Hartree
232	H19 Val(1s)	0.752423615	0.132255250 Hartree
233	H19 Ryd(2s)	0.000690183	0.618641747 Hartree
234	H20 Val(1s)	0.753439279	0.132092301 Hartree
235	H20 Ryd(2s)	0.000668936	0.619620804 Hartree
236	H21 Val(1s)	0.751963265	0.135475429 Hartree
237	H21 Ryd(2s)	0.000690083	0.622225223 Hartree
238	H22 Val(1s)	0.734139259	0.153463141 Hartree
239	H22 Ryd(2s)	0.001233727	0.668777963 Hartree
240	H23 Val(1s)	0.806702689	0.080207908 Hartree
241	H23 Ryd(2s)	0.003017260	0.703441569 Hartree
242	H24 Val(1s)	0.745523683	0.144102703 Hartree
243	H24 Ryd(2s)	0.001121037	0.633024977 Hartree
244	H25 Val(1s)	0.757599284	0.132529469 Hartree
245	H25 Ryd(2s)	0.000856085	0.635364204 Hartree
246	H26 Val(1s)	0.752364837	0.120883195 Hartree
247	H26 Ryd(2s)	0.000725405	0.714828913 Hartree
248	H27 Val(1s)	0.756106040	0.120592985 Hartree
249	H27 Ryd(2s)	0.000675818	0.718807988 Hartree
250	H28 Val(1s)	0.748038917	0.121690025 Hartree
251	H28 Ryd(2s)	0.000792285	0.710230444 Hartree

Natural Hybrid Orbitals

Display Range		- / 251
Orbital	Description	Occupancy	Energy	Actions
1	CR(1)C1 s(100.00%)	1.999995182	-10.540219803 Hartree
2	CR(1)C2 s(100.00%)	1.999997035	-10.553253783 Hartree
3	CR(1)C3 s(100.00%)	1.999996875	-10.544490050 Hartree
4	CR(1)C4 s(100.00%)	1.999996836	-10.543174101 Hartree
5	CR(1)C5 s(100.00%)	1.999996455	-10.575682106 Hartree
6	CR(1)C6 s(100.00%)	1.999996823	-10.546990064 Hartree
7	CR(1)C7 s(100.00%)	1.999996879	-10.545831315 Hartree
8	CR(1)N10 s(100.00%)	1.999997799	-14.759076034 Hartree
9	CR(1)C11 s(100.00%)	1.999997279	-10.596004485 Hartree
10	CR(1)C12 s(100.00%)	1.999996998	-10.558943367 Hartree
11	CR(1)C13 s(100.00%)	1.999996800	-10.551237780 Hartree
12	CR(1)C14 s(100.00%)	1.999996846	-10.553084491 Hartree
13	CR(1)C15 s(100.00%)	1.999996881	-10.556303085 Hartree
14	CR(1)C16 s(100.00%)	1.999996847	-10.554738048 Hartree
15	CR(1)C17 s(100.00%)	1.999996905	-10.557802057 Hartree
16	LP(1)N10 s(28.16%)p2.55(71.71%)d0.00(0.13%)	1.898058300	-0.365114916 Hartree
17	BD(1)C1(C2) 1s(28.82%)p2.47(71.12%)d0.00(0.05%)	0.982277836	-0.049443843 Hartree
18	BD(1)C2(C1) 2s(31.60%)p2.16(68.37%)d0.00(0.03%)	1.016505795	-0.062518836 Hartree
19	BD(1)C1(H26) 1s(23.75%)p3.21(76.17%)d0.00(0.08%)	1.240177370	-0.129969473 Hartree
20	BD(1)H26(C1) 26s(100.00%)	0.752364514	0.121284630 Hartree
21	BD(1)C1(H27) 1s(23.94%)p3.17(75.98%)d0.00(0.08%)	1.238757538	-0.129092684 Hartree
22	BD(1)H27(C1) 27s(100.00%)	0.756105939	0.120815651 Hartree
23	BD(1)C1(H28) 1s(23.48%)p3.26(76.45%)d0.00(0.08%)	1.241221300	-0.130933645 Hartree
24	BD(1)H28(C1) 28s(100.00%)	0.748037859	0.122419427 Hartree
25	BD(1)C2(C3) 2s(34.01%)p1.94(65.94%)d0.00(0.05%)	1.011531705	-0.008251942 Hartree
26	BD(1)C3(C2) 3s(35.54%)p1.81(64.40%)d0.00(0.06%)	0.987008720	0.006707911 Hartree
27	BD(1)C2(C7) 2s(34.33%)p1.91(65.62%)d0.00(0.05%)	1.010536020	-0.005265664 Hartree
28	BD(1)C7(C2) 7s(35.77%)p1.79(64.17%)d0.00(0.06%)	0.987819435	0.008035358 Hartree
29	BD(2)C2(C7) 2s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.994876876	-0.093878734 Hartree
30	BD(2)C7(C2) 7s(0.00%)p1.00(99.96%)d0.00(0.04%)	1.006394584	-0.102193623 Hartree
31	BD(1)C3(C4) 3s(35.75%)p1.80(64.20%)d0.00(0.06%)	0.995778672	0.004676813 Hartree
32	BD(1)C4(C3) 4s(35.96%)p1.78(63.99%)d0.00(0.06%)	0.994801303	0.006853592 Hartree
33	BD(2)C3(C4) 3s(0.00%)p1.00(99.95%)d0.00(0.05%)	1.003917925	-0.101325295 Hartree
34	BD(2)C4(C3) 4s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.996289501	-0.098963621 Hartree
35	BD(1)C3(H25) 3s(28.65%)p2.49(71.29%)d0.00(0.07%)	1.237548731	-0.123971687 Hartree
36	BD(1)H25(C3) 25s(100.00%)	0.757596602	0.133589050 Hartree
37	BD(1)C4(C5) 4s(34.73%)p1.88(65.21%)d0.00(0.06%)	0.981432628	0.004303122 Hartree
38	BD(1)C5(C4) 5s(35.01%)p1.86(64.95%)d0.00(0.04%)	1.016302955	-0.017842353 Hartree
39	BD(1)C4(H24) 4s(29.25%)p2.42(70.69%)d0.00(0.06%)	1.247878588	-0.124316578 Hartree
40	BD(1)H24(C4) 24s(100.00%)	0.745520030	0.145354695 Hartree
41	BD(1)C5(C6) 5s(36.02%)p1.78(63.94%)d0.00(0.04%)	1.012712563	-0.019324119 Hartree
42	BD(1)C6(C5) 6s(34.77%)p1.87(65.17%)d0.00(0.06%)	0.993049496	-0.002143127 Hartree
43	BD(2)C5(C6) 5s(0.01%)p99.99(99.96%)d2.41(0.03%)	1.008925218	-0.103695569 Hartree
44	BD(2)C6(C5) 6s(0.02%)p99.99(99.94%)d2.18(0.04%)	1.020667549	-0.106384598 Hartree
45	BD(1)C5(N10) 5s(28.82%)p2.47(71.11%)d0.00(0.07%)	0.823454517	0.005560921 Hartree
46	BD(1)N10(C5) 10s(32.11%)p2.11(67.75%)d0.00(0.14%)	1.180129569	-0.220095043 Hartree
47	BD(1)C6(C7) 6s(36.08%)p1.77(63.86%)d0.00(0.06%)	0.999058632	0.000693936 Hartree
48	BD(1)C7(C6) 7s(35.51%)p1.81(64.43%)d0.00(0.06%)	0.991607573	0.002723618 Hartree
49	BD(1)C6(H9) 6s(29.06%)p2.44(70.87%)d0.00(0.06%)	1.238818057	-0.129447652 Hartree
50	BD(1)H9(C6) 9s(100.00%)	0.754684698	0.129873721 Hartree
51	BD(1)C7(H8) 7s(28.65%)p2.49(71.28%)d0.00(0.07%)	1.237301854	-0.125231844 Hartree
52	BD(1)H8(C7) 8s(100.00%)	0.758059332	0.132262659 Hartree
53	BD(1)N10(C11) 10s(39.35%)p1.54(60.48%)d0.00(0.18%)	1.189576306	-0.209948153 Hartree
54	BD(1)C11(N10) 11s(34.01%)p1.94(65.89%)d0.00(0.10%)	0.806009246	0.085592189 Hartree
55	BD(2)N10(C11) 10s(0.36%)p99.99(99.38%)d0.73(0.26%)	1.169058267	-0.184570158 Hartree
56	BD(2)C11(N10) 11s(0.39%)p99.99(99.45%)d0.39(0.16%)	0.871365946	-0.108256874 Hartree
57	BD(1)C11(C12) 11s(34.43%)p1.90(65.52%)d0.00(0.05%)	0.975142101	-0.035462627 Hartree
58	BD(1)C12(C11) 12s(31.31%)p2.19(68.65%)d0.00(0.04%)	1.033785524	-0.061784239 Hartree
59	BD(1)C11(H23) 11s(31.24%)p2.20(68.68%)d0.00(0.08%)	1.219344905	-0.155489199 Hartree
60	BD(1)H23(C11) 23s(100.00%)	0.806634177	0.085273009 Hartree
61	BD(1)C12(C13) 12s(34.39%)p1.91(65.57%)d0.00(0.04%)	1.025272801	-0.024055663 Hartree
62	BD(1)C13(C12) 13s(34.52%)p1.89(65.42%)d0.00(0.06%)	0.972112638	0.008752329 Hartree
63	BD(1)C12(C17) 12s(34.24%)p1.92(65.72%)d0.00(0.04%)	1.018504145	-0.021818261 Hartree
64	BD(1)C17(C12) 17s(35.32%)p1.83(64.62%)d0.00(0.06%)	0.978322923	0.000789080 Hartree
65	BD(2)C12(C17) 12s(0.00%)p1.00(99.98%)d0.00(0.02%)	1.026121681	-0.107480034 Hartree
66	BD(2)C17(C12) 17s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.986072998	-0.111316160 Hartree
67	BD(1)C13(C14) 13s(35.77%)p1.79(64.18%)d0.00(0.06%)	0.998599049	-0.001478226 Hartree
68	BD(1)C14(C13) 14s(35.55%)p1.81(64.39%)d0.00(0.06%)	0.995554698	-0.002097307 Hartree
69	BD(2)C13(C14) 13s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.958057164	-0.101066125 Hartree
70	BD(2)C14(C13) 14s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.996290896	-0.108599812 Hartree
71	BD(1)C13(H22) 13s(29.66%)p2.37(70.28%)d0.00(0.06%)	1.261382230	-0.131316924 Hartree
72	BD(1)H22(C13) 22s(100.00%)	0.734132609	0.155186918 Hartree
73	BD(1)C14(C15) 14s(35.15%)p1.84(64.79%)d0.00(0.06%)	0.997659367	-0.010316039 Hartree
74	BD(1)C15(C14) 15s(35.29%)p1.83(64.65%)d0.00(0.06%)	0.999144230	-0.011185296 Hartree
75	BD(1)C14(H21) 14s(29.24%)p2.42(70.69%)d0.00(0.06%)	1.243596509	-0.131603277 Hartree
76	BD(1)H21(C14) 21s(100.00%)	0.751961251	0.136404803 Hartree
77	BD(1)C15(C16) 15s(35.40%)p1.82(64.54%)d0.00(0.06%)	0.996462055	-0.008810264 Hartree
78	BD(1)C16(C15) 16s(35.36%)p1.83(64.58%)d0.00(0.06%)	0.999711079	-0.010364015 Hartree
79	BD(2)C15(C16) 15s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.983297703	-0.109467036 Hartree
80	BD(2)C16(C15) 16s(0.00%)p1.00(99.95%)d0.00(0.05%)	1.001077273	-0.110752486 Hartree
81	BD(1)C15(H20) 15s(29.24%)p2.42(70.69%)d0.00(0.06%)	1.242086041	-0.133440227 Hartree
82	BD(1)H20(C15) 20s(100.00%)	0.753437439	0.132979873 Hartree
83	BD(1)C16(C17) 16s(35.27%)p1.83(64.67%)d0.00(0.06%)	0.991340564	-0.005795349 Hartree
84	BD(1)C17(C16) 17s(35.74%)p1.80(64.20%)d0.00(0.06%)	1.002876420	-0.011831827 Hartree
85	BD(1)C16(H19) 16s(29.31%)p2.41(70.62%)d0.00(0.06%)	1.242996161	-0.133960724 Hartree
86	BD(1)H19(C16) 19s(100.00%)	0.752421748	0.133148556 Hartree
87	BD(1)C17(H18) 17s(28.87%)p2.46(71.06%)d0.00(0.06%)	1.238907089	-0.136922408 Hartree
88	BD(1)H18(C17) 18s(100.00%)	0.757016964	0.123167844 Hartree
89	RY(1)C1 s(0.00%)p1.00(94.81%)d0.05(5.19%)	0.002724069	0.803540631 Hartree
90	RY(2)C1 s(0.04%)p99.99(46.69%)d99.99(53.27%)	0.000629601	1.464291981 Hartree
91	RY(3)C1 s(23.67%)p3.15(74.64%)d0.07(1.69%)	0.000231171	0.774762064 Hartree
92	RY(4)C1 s(11.95%)p3.42(40.90%)d3.95(47.15%)	0.000028755	1.741801780 Hartree
93	RY(5)C1 s(42.13%)p0.41(17.13%)d0.97(40.74%)	0.000012991	1.968092284 Hartree
94	RY(6)C1 s(47.20%)p0.21(9.80%)d0.91(42.99%)	0.000010145	2.106476196 Hartree
95	RY(7)C1 s(24.39%)p0.46(11.33%)d2.64(64.28%)	0.000006133	2.156074919 Hartree
96	RY(8)C1 s(8.11%)p0.48(3.90%)d10.86(87.99%)	0.000001607	2.108067475 Hartree
97	RY(9)C1 s(39.04%)p0.02(0.84%)d1.54(60.12%)	0.000002381	2.920908895 Hartree
98	RY(10)C1 s(3.48%)p0.07(0.23%)d27.65(96.29%)	0.000000336	2.110421276 Hartree
99	RY(1)C2 s(2.66%)p34.12(90.85%)d2.43(6.48%)	0.004369329	1.358997548 Hartree
100	RY(2)C2 s(0.04%)p99.99(96.20%)d89.12(3.75%)	0.003101562	1.024533285 Hartree
101	RY(3)C2 s(0.83%)p99.99(90.08%)d10.96(9.09%)	0.001842666	0.859335315 Hartree
102	RY(4)C2 s(0.01%)p1.00(0.43%)d99.99(99.56%)	0.000630369	1.985526455 Hartree
103	RY(5)C2 s(4.80%)p0.81(3.91%)d19.01(91.29%)	0.000243985	2.347195708 Hartree
104	RY(6)C2 s(52.60%)p0.09(4.94%)d0.81(42.46%)	0.000162357	1.584892956 Hartree
105	RY(7)C2 s(21.26%)p0.21(4.45%)d3.49(74.29%)	0.000141189	1.806620757 Hartree
106	RY(8)C2 s(91.86%)p0.01(1.24%)d0.08(6.91%)	0.000054083	3.863861502 Hartree
107	RY(9)C2 s(23.96%)p0.29(7.06%)d2.88(68.97%)	0.000011795	2.335731034 Hartree
108	RY(10)C2 s(2.04%)p0.46(0.94%)d47.65(97.02%)	0.000002196	2.382442377 Hartree
109	RY(1)C3 s(0.07%)p99.99(93.00%)d99.99(6.94%)	0.004620539	1.315222062 Hartree
110	RY(2)C3 s(0.14%)p99.99(97.86%)d14.36(2.00%)	0.002276036	0.815494274 Hartree
111	RY(3)C3 s(0.03%)p99.99(7.27%)d99.99(92.70%)	0.000653528	1.900504868 Hartree
112	RY(4)C3 s(2.53%)p32.93(83.14%)d5.68(14.33%)	0.000418143	0.852137302 Hartree
113	RY(5)C3 s(81.63%)p0.03(2.83%)d0.19(15.54%)	0.000170989	1.270405987 Hartree
114	RY(6)C3 s(17.17%)p0.09(1.52%)d4.74(81.32%)	0.000082679	2.237279812 Hartree
115	RY(7)C3 s(92.27%)p0.01(0.58%)d0.08(7.15%)	0.000027888	4.074647975 Hartree
116	RY(8)C3 s(3.57%)p1.75(6.26%)d25.25(90.17%)	0.000006222	2.271942915 Hartree
117	RY(9)C3 s(1.48%)p1.32(1.96%)d65.13(96.56%)	0.000003300	2.223912326 Hartree
118	RY(10)C3 s(1.19%)p4.84(5.74%)d78.48(93.07%)	0.000001811	2.068388026 Hartree
119	RY(1)C4 s(0.04%)p99.99(94.85%)d99.99(5.11%)	0.004902753	1.281193921 Hartree
120	RY(2)C4 s(0.15%)p99.99(98.27%)d10.38(1.58%)	0.002941161	0.807067783 Hartree
121	RY(3)C4 s(0.23%)p99.99(65.97%)d99.99(33.80%)	0.000659214	1.119050993 Hartree
122	RY(4)C4 s(0.12%)p99.99(30.92%)d99.99(68.96%)	0.000573055	1.585609376 Hartree
123	RY(5)C4 s(93.23%)p0.00(0.37%)d0.07(6.40%)	0.000305073	1.201536339 Hartree
124	RY(6)C4 s(5.32%)p0.35(1.88%)d17.44(92.80%)	0.000088388	2.330416973 Hartree
125	RY(7)C4 s(97.55%)p0.00(0.18%)d0.02(2.27%)	0.000035159	4.166112533 Hartree
126	RY(8)C4 s(0.01%)p1.00(2.82%)d34.49(97.18%)	0.000016013	1.855898143 Hartree
127	RY(9)C4 s(2.47%)p1.96(4.83%)d37.59(92.71%)	0.000009468	2.304911127 Hartree
128	RY(10)C4 s(0.94%)p0.08(0.08%)d99.99(98.98%)	0.000001021	2.411180583 Hartree
129	RY(1)C5 s(1.60%)p54.96(87.91%)d6.56(10.49%)	0.006485282	1.270360299 Hartree
130	RY(2)C5 s(0.88%)p99.99(98.24%)d1.01(0.89%)	0.005214080	1.040059361 Hartree
131	RY(3)C5 s(32.00%)p1.38(44.03%)d0.75(23.96%)	0.001883345	1.299806146 Hartree
132	RY(4)C5 s(23.07%)p0.97(22.30%)d2.37(54.63%)	0.001211160	1.741358428 Hartree
133	RY(5)C5 s(0.55%)p13.59(7.41%)d99.99(92.04%)	0.000717906	1.922692348 Hartree
134	RY(6)C5 s(3.14%)p8.51(26.76%)d22.29(70.10%)	0.000564474	1.775073301 Hartree
135	RY(7)C5 s(38.75%)p0.16(6.14%)d1.42(55.12%)	0.000184496	1.843801420 Hartree
136	RY(8)C5 s(53.26%)p0.07(3.51%)d0.81(43.23%)	0.000065293	3.179106212 Hartree
137	RY(9)C5 s(46.16%)p0.08(3.61%)d1.09(50.23%)	0.000040262	3.286799152 Hartree
138	RY(10)C5 s(0.73%)p0.18(0.13%)d99.99(99.14%)	0.000000726	2.390689963 Hartree
139	RY(1)C6 s(0.11%)p99.99(92.96%)d64.61(6.93%)	0.003919381	1.293642987 Hartree
140	RY(2)C6 s(0.57%)p99.99(98.22%)d2.13(1.22%)	0.002542783	0.846095515 Hartree
141	RY(3)C6 s(16.24%)p1.08(17.56%)d4.08(66.20%)	0.000678464	1.629477641 Hartree
142	RY(4)C6 s(3.31%)p19.92(65.90%)d9.31(30.79%)	0.000583078	1.091918600 Hartree
143	RY(5)C6 s(72.63%)p0.18(13.16%)d0.20(14.21%)	0.000384282	1.197761282 Hartree
144	RY(6)C6 s(11.22%)p0.08(0.89%)d7.84(87.89%)	0.000071705	2.426400846 Hartree
145	RY(7)C6 s(87.97%)p0.00(0.11%)d0.14(11.92%)	0.000030177	4.002856796 Hartree
146	RY(8)C6 s(4.44%)p1.30(5.77%)d20.22(89.79%)	0.000022551	2.265971687 Hartree
147	RY(9)C6 s(1.55%)p3.41(5.31%)d59.93(93.14%)	0.000009686	1.952372074 Hartree
148	RY(10)C6 s(2.03%)p0.14(0.28%)d48.06(97.69%)	0.000001041	2.382868089 Hartree
149	RY(1)C7 s(0.03%)p99.99(93.15%)d99.99(6.83%)	0.004717410	1.306952708 Hartree
150	RY(2)C7 s(0.13%)p99.99(98.24%)d12.44(1.63%)	0.002353993	0.804209519 Hartree
151	RY(3)C7 s(0.29%)p1.04(0.30%)d99.99(99.41%)	0.000651749	1.992588761 Hartree
152	RY(4)C7 s(3.38%)p26.84(90.83%)d1.71(5.79%)	0.000512594	0.745299953 Hartree
153	RY(5)C7 s(81.05%)p0.04(3.27%)d0.19(15.68%)	0.000213930	1.290094859 Hartree
154	RY(6)C7 s(14.31%)p0.11(1.62%)d5.87(84.07%)	0.000074764	2.211063916 Hartree
155	RY(7)C7 s(92.46%)p0.01(0.62%)d0.07(6.93%)	0.000031541	4.047156422 Hartree
156	RY(8)C7 s(5.87%)p1.03(6.06%)d14.99(88.06%)	0.000008518	2.295561586 Hartree
157	RY(9)C7 s(1.63%)p3.52(5.73%)d56.97(92.64%)	0.000004683	1.991355725 Hartree
158	RY(10)C7 s(0.91%)p0.40(0.36%)d99.99(98.72%)	0.000002538	2.319852436 Hartree
159	RY(1)H8 s(100.00%)	0.000893230	0.637264504 Hartree
160	RY(1)H9 s(100.00%)	0.001006522	0.656992238 Hartree
161	RY(1)N10 s(8.90%)p9.93(88.42%)d0.30(2.67%)	0.005350821	1.002076325 Hartree
162	RY(2)N10 s(0.72%)p99.99(96.56%)d3.77(2.72%)	0.002425905	1.176255332 Hartree
163	RY(3)N10 s(0.55%)p99.99(81.43%)d32.55(18.02%)	0.000918156	1.227373184 Hartree
164	RY(4)N10 s(15.88%)p0.86(13.58%)d4.44(70.54%)	0.000296478	1.932487929 Hartree
165	RY(5)N10 s(43.70%)p0.30(12.96%)d0.99(43.33%)	0.000130405	1.883954426 Hartree
166	RY(6)N10 s(20.31%)p0.14(2.86%)d3.78(76.83%)	0.000054893	2.267054569 Hartree
167	RY(7)N10 s(15.75%)p0.20(3.20%)d5.15(81.06%)	0.000024785	2.297803635 Hartree
168	RY(8)N10 s(16.52%)p0.03(0.56%)d5.02(82.92%)	0.000013472	2.479416574 Hartree
169	RY(9)N10 s(55.08%)p0.01(0.71%)d0.80(44.22%)	0.000004555	3.082529494 Hartree
170	RY(10)N10 s(22.61%)p0.02(0.41%)d3.41(76.98%)	0.000001901	2.651441447 Hartree
171	RY(1)C11 s(23.64%)p2.90(68.54%)d0.33(7.82%)	0.006028684	1.088828362 Hartree
172	RY(2)C11 s(27.38%)p1.85(50.66%)d0.80(21.96%)	0.004473498	1.396516571 Hartree
173	RY(3)C11 s(10.28%)p7.96(81.84%)d0.77(7.88%)	0.001445455	0.995089665 Hartree
174	RY(4)C11 s(5.30%)p4.99(26.41%)d12.90(68.29%)	0.000959661	1.690900664 Hartree
175	RY(5)C11 s(9.90%)p5.05(50.00%)d4.05(40.10%)	0.000550119	1.441966777 Hartree
176	RY(6)C11 s(36.47%)p0.17(6.24%)d1.57(57.29%)	0.000125954	2.032995141 Hartree
177	RY(7)C11 s(38.21%)p0.34(12.88%)d1.28(48.91%)	0.000062162	2.672992299 Hartree
178	RY(8)C11 s(36.67%)p0.06(2.04%)d1.67(61.29%)	0.000023987	3.078306809 Hartree
179	RY(9)C11 s(9.56%)p0.12(1.18%)d9.33(89.25%)	0.000010274	2.113594598 Hartree
180	RY(10)C11 s(2.52%)p0.26(0.66%)d38.39(96.82%)	0.000002243	2.266559073 Hartree
181	RY(1)C12 s(0.84%)p99.99(96.80%)d2.83(2.37%)	0.006139445	1.246306862 Hartree
182	RY(2)C12 s(0.98%)p95.52(93.36%)d5.79(5.66%)	0.004669708	1.333230315 Hartree
183	RY(3)C12 s(1.00%)p83.80(83.63%)d15.40(15.37%)	0.000885762	0.937891414 Hartree
184	RY(4)C12 s(0.09%)p17.69(1.56%)d99.99(98.35%)	0.000673911	1.962122159 Hartree
185	RY(5)C12 s(91.15%)p0.01(0.97%)d0.09(7.88%)	0.000458375	1.203361732 Hartree
186	RY(6)C12 s(1.66%)p8.65(14.39%)d50.44(83.94%)	0.000227373	1.765505398 Hartree
187	RY(7)C12 s(22.52%)p0.10(2.32%)d3.34(75.16%)	0.000117246	2.857812133 Hartree
188	RY(8)C12 s(40.36%)p0.07(2.86%)d1.41(56.78%)	0.000084459	3.075184779 Hartree
189	RY(9)C12 s(41.20%)p0.10(4.13%)d1.33(54.67%)	0.000024021	3.120151964 Hartree
190	RY(10)C12 s(0.28%)p0.22(0.06%)d99.99(99.66%)	0.000002858	2.337046867 Hartree
191	RY(1)C13 s(0.16%)p99.99(94.43%)d34.55(5.41%)	0.004826218	1.281990959 Hartree
192	RY(2)C13 s(0.20%)p99.99(97.69%)d10.54(2.11%)	0.002949207	0.849197300 Hartree
193	RY(3)C13 s(0.00%)p1.00(30.91%)d2.24(69.09%)	0.000623479	1.576516035 Hartree
194	RY(4)C13 s(0.04%)p99.99(63.53%)d99.99(36.43%)	0.000407193	1.131967043 Hartree
195	RY(5)C13 s(85.54%)p0.01(0.91%)d0.16(13.55%)	0.000171675	1.260931265 Hartree
196	RY(6)C13 s(13.43%)p0.08(1.02%)d6.37(85.56%)	0.000076284	2.281650557 Hartree
197	RY(7)C13 s(62.21%)p0.04(2.69%)d0.56(35.09%)	0.000030147	3.434762082 Hartree
198	RY(8)C13 s(37.27%)p0.09(3.40%)d1.59(59.33%)	0.000019464	3.039983681 Hartree
199	RY(9)C13 s(0.19%)p29.41(5.60%)d99.99(94.21%)	0.000005529	1.823845100 Hartree
200	RY(10)C13 s(1.02%)p0.00(0.00%)d97.06(98.98%)	0.000000803	2.367527390 Hartree
201	RY(1)C14 s(0.13%)p99.99(92.82%)d55.30(7.05%)	0.004664774	1.303773228 Hartree
202	RY(2)C14 s(0.16%)p99.99(99.03%)d4.94(0.81%)	0.002452112	0.757160277 Hartree
203	RY(3)C14 s(0.00%)p1.00(1.59%)d61.87(98.41%)	0.000608389	1.968445081 Hartree
204	RY(4)C14 s(0.00%)p1.00(90.44%)d0.11(9.56%)	0.000391376	0.762526539 Hartree
205	RY(5)C14 s(97.46%)p0.00(0.14%)d0.02(2.39%)	0.000178820	1.130177422 Hartree
206	RY(6)C14 s(0.89%)p1.04(0.92%)d99.99(98.19%)	0.000116388	2.388923282 Hartree
207	RY(7)C14 s(98.90%)p0.00(0.04%)d0.01(1.06%)	0.000033281	4.190474716 Hartree
208	RY(8)C14 s(1.30%)p5.18(6.75%)d70.55(91.95%)	0.000002957	2.183800004 Hartree
209	RY(9)C14 s(0.54%)p8.54(4.62%)d99.99(94.84%)	0.000000747	2.048859241 Hartree
210	RY(10)C14 s(0.67%)p5.68(3.82%)d99.99(95.50%)	0.000000721	2.115733791 Hartree
211	RY(1)C15 s(0.18%)p99.99(92.58%)d40.20(7.24%)	0.004581870	1.301428909 Hartree
212	RY(2)C15 s(0.00%)p1.00(99.16%)d0.01(0.84%)	0.002269107	0.748135358 Hartree
213	RY(3)C15 s(0.00%)p1.00(4.05%)d23.71(95.95%)	0.000636459	1.928373099 Hartree
214	RY(4)C15 s(0.00%)p1.00(89.07%)d0.12(10.93%)	0.000496248	0.783254172 Hartree
215	RY(5)C15 s(79.47%)p0.00(0.25%)d0.26(20.28%)	0.000125386	1.314503649 Hartree
216	RY(6)C15 s(18.44%)p0.04(0.70%)d4.39(80.86%)	0.000113277	2.141033921 Hartree
217	RY(7)C15 s(99.94%)p0.00(0.01%)d0.00(0.05%)	0.000028659	4.233898944 Hartree
218	RY(8)C15 s(0.48%)p15.31(7.28%)d99.99(92.24%)	0.000003143	2.195125806 Hartree
219	RY(9)C15 s(0.00%)p1.00(6.92%)d13.45(93.08%)	0.000000114	1.787564264 Hartree
220	RY(10)C15 s(1.55%)p0.09(0.14%)d63.31(98.31%)	0.000000506	2.354863459 Hartree
221	RY(1)C16 s(0.06%)p99.99(93.03%)d99.99(6.91%)	0.004698665	1.295412787 Hartree
222	RY(2)C16 s(0.18%)p99.99(99.00%)d4.61(0.82%)	0.002517147	0.749389664 Hartree
223	RY(3)C16 s(0.00%)p1.00(1.95%)d50.40(98.05%)	0.000604575	1.959449644 Hartree
224	RY(4)C16 s(0.00%)p1.00(91.09%)d0.10(8.91%)	0.000461569	0.753906031 Hartree
225	RY(5)C16 s(92.93%)p0.00(0.08%)d0.08(6.99%)	0.000158404	1.200026590 Hartree
226	RY(6)C16 s(5.22%)p0.19(0.97%)d17.97(93.81%)	0.000108287	2.328093873 Hartree
227	RY(7)C16 s(99.43%)p0.00(0.01%)d0.01(0.56%)	0.000031210	4.167713031 Hartree
228	RY(8)C16 s(0.78%)p8.18(6.38%)d99.99(92.84%)	0.000002886	2.183069364 Hartree
229	RY(9)C16 s(0.00%)p1.00(7.01%)d13.27(92.99%)	0.000000415	1.787823868 Hartree
230	RY(10)C16 s(1.45%)p0.45(0.66%)d67.40(97.89%)	0.000000591	2.385854057 Hartree
231	RY(1)C17 s(0.01%)p99.99(93.48%)d99.99(6.50%)	0.004707100	1.306914693 Hartree
232	RY(2)C17 s(0.11%)p99.99(97.49%)d21.44(2.39%)	0.002130635	0.820479437 Hartree
233	RY(3)C17 s(0.00%)p1.00(12.43%)d7.05(87.57%)	0.000674719	1.816326023 Hartree
234	RY(4)C17 s(0.00%)p1.00(82.37%)d0.21(17.63%)	0.000493561	0.875081486 Hartree
235	RY(5)C17 s(93.73%)p0.00(0.41%)d0.06(5.86%)	0.000158913	1.147872364 Hartree
236	RY(6)C17 s(4.48%)p0.55(2.45%)d20.77(93.07%)	0.000078465	2.336467246 Hartree
237	RY(7)C17 s(82.55%)p0.02(1.33%)d0.20(16.12%)	0.000031731	3.825725232 Hartree
238	RY(8)C17 s(16.90%)p0.29(4.90%)d4.63(78.20%)	0.000009016	2.631750182 Hartree
239	RY(9)C17 s(0.83%)p6.29(5.24%)d99.99(93.93%)	0.000006281	1.847268592 Hartree
240	RY(10)C17 s(1.45%)p0.04(0.06%)d68.01(98.50%)	0.000001431	2.332855454 Hartree
241	RY(1)H18 s(100.00%)	0.000988760	0.632145240 Hartree
242	RY(1)H19 s(100.00%)	0.000692049	0.617748442 Hartree
243	RY(1)H20 s(100.00%)	0.000670777	0.618733231 Hartree
244	RY(1)H21 s(100.00%)	0.000692096	0.621295848 Hartree
245	RY(1)H22 s(100.00%)	0.001240377	0.667054186 Hartree
246	RY(1)H23 s(100.00%)	0.003085773	0.698376468 Hartree
247	RY(1)H24 s(100.00%)	0.001124690	0.631772986 Hartree
248	RY(1)H25 s(100.00%)	0.000858767	0.634304623 Hartree
249	RY(1)H26 s(100.00%)	0.000725728	0.714427479 Hartree
250	RY(1)H27 s(100.00%)	0.000675919	0.718585322 Hartree
251	RY(1)H28 s(100.00%)	0.000793343	0.709501043 Hartree

Natural Bond Orbitals

Display Range		- / 251
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	CR(1)C1	2179	1.999995182	-10.540219803 Hartree
2	CR(1)C2	2180	1.999997035	-10.553253783 Hartree
3	CR(1)C3	2181	1.999996875	-10.544490050 Hartree
4	CR(1)C4	2182	1.999996836	-10.543174101 Hartree
5	CR(1)C5	2183	1.999996455	-10.575682106 Hartree
6	CR(1)C6	2184	1.999996823	-10.546990064 Hartree
7	CR(1)C7	2185	1.999996879	-10.545831315 Hartree
8	CR(1)N10	2186	1.999997799	-14.759076034 Hartree
9	CR(1)C11	2187	1.999997279	-10.596004485 Hartree
10	CR(1)C12	2188	1.999996998	-10.558943367 Hartree
11	CR(1)C13	2189	1.999996800	-10.551237780 Hartree
12	CR(1)C14	2190	1.999996846	-10.553084491 Hartree
13	CR(1)C15	2191	1.999996881	-10.556303085 Hartree
14	CR(1)C16	2192	1.999996847	-10.554738048 Hartree
15	CR(1)C17	2193	1.999996905	-10.557802057 Hartree
16	LP(1)N10	2194	1.898058300	-0.365114916 Hartree
17	BD(1)C1-C2	2195, 2196	1.984073500	-0.603007706 Hartree
18	BD(1)C1-H26	2197, 2198	1.986463458	-0.535741090 Hartree
19	BD(1)C1-H27	2199, 2200	1.990411573	-0.537019293 Hartree
20	BD(1)C1-H28	2201, 2202	1.980284537	-0.533469287 Hartree
21	BD(1)C2-C3	2203, 2204	1.976230787	-0.649901711 Hartree
22	BD(1)C2-C7	2205, 2206	1.976601363	-0.652583096 Hartree
23	BD(2)C2-C7	2207, 2208	1.657057628	-0.277366329 Hartree
24	BD(1)C3-C4	2209, 2210	1.978374824	-0.654763264 Hartree
25	BD(2)C3-C4	2211, 2212	1.687203993	-0.281629992 Hartree
26	BD(1)C3-H25	2213, 2214	1.982532641	-0.546480107 Hartree
27	BD(1)C4-C5	2215, 2216	1.974093982	-0.655828353 Hartree
28	BD(1)C4-H24	2217, 2218	1.981424403	-0.544116300 Hartree
29	BD(1)C5-C6	2219, 2220	1.976199897	-0.660940957 Hartree
30	BD(2)C5-C6	2221, 2222	1.649772726	-0.282657159 Hartree
31	BD(1)C5-N10	2223, 2224	1.979799506	-0.733478727 Hartree
32	BD(1)C6-C7	2225, 2226	1.977456470	-0.654719931 Hartree
33	BD(1)C6-H9	2227, 2228	1.980876228	-0.551768576 Hartree
34	BD(1)C7-H8	2229, 2230	1.982420814	-0.547629518 Hartree
35	BD(1)N10-C11	2231, 2232	1.987450577	-0.829032497 Hartree
36	BD(2)N10-C11	2233, 2234	1.922974910	-0.382637194 Hartree
37	BD(1)C11-C12	2235, 2236	1.976447235	-0.642495416 Hartree
38	BD(1)C11-H23	2237, 2238	1.987850440	-0.573346095 Hartree
39	BD(1)C12-C13	2239, 2240	1.974454285	-0.655890033 Hartree
40	BD(1)C12-C17	2241, 2242	1.976640519	-0.662792541 Hartree
41	BD(2)C12-C17	2243, 2244	1.644212143	-0.286777579 Hartree
42	BD(1)C13-C14	2245, 2246	1.980727635	-0.662353837 Hartree
43	BD(2)C13-C14	2247, 2248	1.663933628	-0.286052755 Hartree
44	BD(1)C13-H22	2249, 2250	1.981665265	-0.546533678 Hartree
45	BD(1)C14-C15	2251, 2252	1.981566621	-0.661501208 Hartree
46	BD(1)C14-H21	2253, 2254	1.983407237	-0.555076414 Hartree
47	BD(1)C15-C16	2255, 2256	1.981313591	-0.664107603 Hartree
48	BD(2)C15-C16	2257, 2258	1.661485791	-0.288626883 Hartree
49	BD(1)C15-H20	2259, 2260	1.983705692	-0.558133413 Hartree
50	BD(1)C16-C17	2261, 2262	1.980604514	-0.664226918 Hartree
51	BD(1)C16-H19	2263, 2264	1.983491458	-0.557969823 Hartree
52	BD(1)C17-H18	2265, 2266	1.982694357	-0.559455267 Hartree
53	BD*(1)C1-C2		0.014710131	0.491045027 Hartree
54	BD*(1)C1-H26		0.006078427	0.527056248 Hartree
55	BD*(1)C1-H27		0.004451904	0.528742260 Hartree
56	BD*(1)C1-H28		0.008974622	0.524955069 Hartree
57	BD*(1)C2-C3		0.022309638	0.648357680 Hartree
58	BD*(1)C2-C7		0.021754091	0.655352790 Hartree
59	BD*(2)C2-C7		0.344213833	0.081293972 Hartree
60	BD*(1)C3-C4		0.012205151	0.666293669 Hartree
61	BD*(2)C3-C4		0.313003433	0.081341076 Hartree
62	BD*(1)C3-H25		0.012612692	0.556097470 Hartree
63	BD*(1)C4-C5		0.023641601	0.642289122 Hartree
64	BD*(1)C4-H24		0.011974214	0.565154416 Hartree
65	BD*(1)C5-C6		0.029562161	0.639473712 Hartree
66	BD*(2)C5-C6		0.379820041	0.072576992 Hartree
67	BD*(1)C5-N10		0.023784580	0.518944605 Hartree
68	BD*(1)C6-C7		0.013209735	0.658137485 Hartree
69	BD*(1)C6-H9		0.012626527	0.552194645 Hartree
70	BD*(1)C7-H8		0.012940371	0.554660333 Hartree
71	BD*(1)N10-C11		0.008134976	0.704676533 Hartree
72	BD*(2)N10-C11		0.117449303	0.089810162 Hartree
73	BD*(1)C11-C12		0.032480390	0.545248550 Hartree
74	BD*(1)C11-H23		0.038128641	0.503129905 Hartree
75	BD*(1)C12-C13		0.022931154	0.640586700 Hartree
76	BD*(1)C12-C17		0.020186550	0.641763359 Hartree
77	BD*(2)C12-C17		0.367982537	0.067981386 Hartree
78	BD*(1)C13-C14		0.013426111	0.658778304 Hartree
79	BD*(2)C13-C14		0.290414433	0.076386818 Hartree
80	BD*(1)C13-H22		0.013849575	0.570403672 Hartree
81	BD*(1)C14-C15		0.015236976	0.639999873 Hartree
82	BD*(1)C14-H21		0.012150524	0.559877941 Hartree
83	BD*(1)C15-C16		0.014859543	0.644933324 Hartree
84	BD*(2)C15-C16		0.322889184	0.068407361 Hartree
85	BD*(1)C15-H20		0.011817788	0.557673059 Hartree
86	BD*(1)C16-C17		0.013612471	0.646599743 Hartree
87	BD*(1)C16-H19		0.011926451	0.557157655 Hartree
88	BD*(1)C17-H18		0.013229696	0.545700703 Hartree
89	RY(1)C1	2267	0.002724069	0.803540631 Hartree
90	RY(2)C1	2268	0.000629601	1.464291981 Hartree
91	RY(3)C1	2269	0.000231171	0.774762064 Hartree
92	RY(4)C1	2270	0.000028755	1.741801780 Hartree
93	RY(5)C1	2271	0.000012991	1.968092284 Hartree
94	RY(6)C1	2272	0.000010145	2.106476196 Hartree
95	RY(7)C1	2273	0.000006133	2.156074919 Hartree
96	RY(8)C1	2274	0.000001607	2.108067475 Hartree
97	RY(9)C1	2275	0.000002381	2.920908895 Hartree
98	RY(10)C1	2276	0.000000336	2.110421276 Hartree
99	RY(1)C2	2277	0.004369329	1.358997548 Hartree
100	RY(2)C2	2278	0.003101562	1.024533285 Hartree
101	RY(3)C2	2279	0.001842666	0.859335315 Hartree
102	RY(4)C2	2280	0.000630369	1.985526455 Hartree
103	RY(5)C2	2281	0.000243985	2.347195708 Hartree
104	RY(6)C2	2282	0.000162357	1.584892956 Hartree
105	RY(7)C2	2283	0.000141189	1.806620757 Hartree
106	RY(8)C2	2284	0.000054083	3.863861502 Hartree
107	RY(9)C2	2285	0.000011795	2.335731034 Hartree
108	RY(10)C2	2286	0.000002196	2.382442377 Hartree
109	RY(1)C3	2287	0.004620539	1.315222062 Hartree
110	RY(2)C3	2288	0.002276036	0.815494274 Hartree
111	RY(3)C3	2289	0.000653528	1.900504868 Hartree
112	RY(4)C3	2290	0.000418143	0.852137302 Hartree
113	RY(5)C3	2291	0.000170989	1.270405987 Hartree
114	RY(6)C3	2292	0.000082679	2.237279812 Hartree
115	RY(7)C3	2293	0.000027888	4.074647975 Hartree
116	RY(8)C3	2294	0.000006222	2.271942915 Hartree
117	RY(9)C3	2295	0.000003300	2.223912326 Hartree
118	RY(10)C3	2296	0.000001811	2.068388026 Hartree
119	RY(1)C4	2297	0.004902753	1.281193921 Hartree
120	RY(2)C4	2298	0.002941161	0.807067783 Hartree
121	RY(3)C4	2299	0.000659214	1.119050993 Hartree
122	RY(4)C4	2300	0.000573055	1.585609376 Hartree
123	RY(5)C4	2301	0.000305073	1.201536339 Hartree
124	RY(6)C4	2302	0.000088388	2.330416973 Hartree
125	RY(7)C4	2303	0.000035159	4.166112533 Hartree
126	RY(8)C4	2304	0.000016013	1.855898143 Hartree
127	RY(9)C4	2305	0.000009468	2.304911127 Hartree
128	RY(10)C4	2306	0.000001021	2.411180583 Hartree
129	RY(1)C5	2307	0.006485282	1.270360299 Hartree
130	RY(2)C5	2308	0.005214080	1.040059361 Hartree
131	RY(3)C5	2309	0.001883345	1.299806146 Hartree
132	RY(4)C5	2310	0.001211160	1.741358428 Hartree
133	RY(5)C5	2311	0.000717906	1.922692348 Hartree
134	RY(6)C5	2312	0.000564474	1.775073301 Hartree
135	RY(7)C5	2313	0.000184496	1.843801420 Hartree
136	RY(8)C5	2314	0.000065293	3.179106212 Hartree
137	RY(9)C5	2315	0.000040262	3.286799152 Hartree
138	RY(10)C5	2316	0.000000726	2.390689963 Hartree
139	RY(1)C6	2317	0.003919381	1.293642987 Hartree
140	RY(2)C6	2318	0.002542783	0.846095515 Hartree
141	RY(3)C6	2319	0.000678464	1.629477641 Hartree
142	RY(4)C6	2320	0.000583078	1.091918600 Hartree
143	RY(5)C6	2321	0.000384282	1.197761282 Hartree
144	RY(6)C6	2322	0.000071705	2.426400846 Hartree
145	RY(7)C6	2323	0.000030177	4.002856796 Hartree
146	RY(8)C6	2324	0.000022551	2.265971687 Hartree
147	RY(9)C6	2325	0.000009686	1.952372074 Hartree
148	RY(10)C6	2326	0.000001041	2.382868089 Hartree
149	RY(1)C7	2327	0.004717410	1.306952708 Hartree
150	RY(2)C7	2328	0.002353993	0.804209519 Hartree
151	RY(3)C7	2329	0.000651749	1.992588761 Hartree
152	RY(4)C7	2330	0.000512594	0.745299953 Hartree
153	RY(5)C7	2331	0.000213930	1.290094859 Hartree
154	RY(6)C7	2332	0.000074764	2.211063916 Hartree
155	RY(7)C7	2333	0.000031541	4.047156422 Hartree
156	RY(8)C7	2334	0.000008518	2.295561586 Hartree
157	RY(9)C7	2335	0.000004683	1.991355725 Hartree
158	RY(10)C7	2336	0.000002538	2.319852436 Hartree
159	RY(1)H8	2337	0.000893230	0.637264504 Hartree
160	RY(1)H9	2338	0.001006522	0.656992238 Hartree
161	RY(1)N10	2339	0.005350821	1.002076325 Hartree
162	RY(2)N10	2340	0.002425905	1.176255332 Hartree
163	RY(3)N10	2341	0.000918156	1.227373184 Hartree
164	RY(4)N10	2342	0.000296478	1.932487929 Hartree
165	RY(5)N10	2343	0.000130405	1.883954426 Hartree
166	RY(6)N10	2344	0.000054893	2.267054569 Hartree
167	RY(7)N10	2345	0.000024785	2.297803635 Hartree
168	RY(8)N10	2346	0.000013472	2.479416574 Hartree
169	RY(9)N10	2347	0.000004555	3.082529494 Hartree
170	RY(10)N10	2348	0.000001901	2.651441447 Hartree
171	RY(1)C11	2349	0.006028684	1.088828362 Hartree
172	RY(2)C11	2350	0.004473498	1.396516571 Hartree
173	RY(3)C11	2351	0.001445455	0.995089665 Hartree
174	RY(4)C11	2352	0.000959661	1.690900664 Hartree
175	RY(5)C11	2353	0.000550119	1.441966777 Hartree
176	RY(6)C11	2354	0.000125954	2.032995141 Hartree
177	RY(7)C11	2355	0.000062162	2.672992299 Hartree
178	RY(8)C11	2356	0.000023987	3.078306809 Hartree
179	RY(9)C11	2357	0.000010274	2.113594598 Hartree
180	RY(10)C11	2358	0.000002243	2.266559073 Hartree
181	RY(1)C12	2359	0.006139445	1.246306862 Hartree
182	RY(2)C12	2360	0.004669708	1.333230315 Hartree
183	RY(3)C12	2361	0.000885762	0.937891414 Hartree
184	RY(4)C12	2362	0.000673911	1.962122159 Hartree
185	RY(5)C12	2363	0.000458375	1.203361732 Hartree
186	RY(6)C12	2364	0.000227373	1.765505398 Hartree
187	RY(7)C12	2365	0.000117246	2.857812133 Hartree
188	RY(8)C12	2366	0.000084459	3.075184779 Hartree
189	RY(9)C12	2367	0.000024021	3.120151964 Hartree
190	RY(10)C12	2368	0.000002858	2.337046867 Hartree
191	RY(1)C13	2369	0.004826218	1.281990959 Hartree
192	RY(2)C13	2370	0.002949207	0.849197300 Hartree
193	RY(3)C13	2371	0.000623479	1.576516035 Hartree
194	RY(4)C13	2372	0.000407193	1.131967043 Hartree
195	RY(5)C13	2373	0.000171675	1.260931265 Hartree
196	RY(6)C13	2374	0.000076284	2.281650557 Hartree
197	RY(7)C13	2375	0.000030147	3.434762082 Hartree
198	RY(8)C13	2376	0.000019464	3.039983681 Hartree
199	RY(9)C13	2377	0.000005529	1.823845100 Hartree
200	RY(10)C13	2378	0.000000803	2.367527390 Hartree
201	RY(1)C14	2379	0.004664774	1.303773228 Hartree
202	RY(2)C14	2380	0.002452112	0.757160277 Hartree
203	RY(3)C14	2381	0.000608389	1.968445081 Hartree
204	RY(4)C14	2382	0.000391376	0.762526539 Hartree
205	RY(5)C14	2383	0.000178820	1.130177422 Hartree
206	RY(6)C14	2384	0.000116388	2.388923282 Hartree
207	RY(7)C14	2385	0.000033281	4.190474716 Hartree
208	RY(8)C14	2386	0.000002957	2.183800004 Hartree
209	RY(9)C14	2387	0.000000747	2.048859241 Hartree
210	RY(10)C14	2388	0.000000721	2.115733791 Hartree
211	RY(1)C15	2389	0.004581870	1.301428909 Hartree
212	RY(2)C15	2390	0.002269107	0.748135358 Hartree
213	RY(3)C15	2391	0.000636459	1.928373099 Hartree
214	RY(4)C15	2392	0.000496248	0.783254172 Hartree
215	RY(5)C15	2393	0.000125386	1.314503649 Hartree
216	RY(6)C15	2394	0.000113277	2.141033921 Hartree
217	RY(7)C15	2395	0.000028659	4.233898944 Hartree
218	RY(8)C15	2396	0.000003143	2.195125806 Hartree
219	RY(9)C15	2397	0.000000114	1.787564264 Hartree
220	RY(10)C15	2398	0.000000506	2.354863459 Hartree
221	RY(1)C16	2399	0.004698665	1.295412787 Hartree
222	RY(2)C16	2400	0.002517147	0.749389664 Hartree
223	RY(3)C16	2401	0.000604575	1.959449644 Hartree
224	RY(4)C16	2402	0.000461569	0.753906031 Hartree
225	RY(5)C16	2403	0.000158404	1.200026590 Hartree
226	RY(6)C16	2404	0.000108287	2.328093873 Hartree
227	RY(7)C16	2405	0.000031210	4.167713031 Hartree
228	RY(8)C16	2406	0.000002886	2.183069364 Hartree
229	RY(9)C16	2407	0.000000415	1.787823868 Hartree
230	RY(10)C16	2408	0.000000591	2.385854057 Hartree
231	RY(1)C17	2409	0.004707100	1.306914693 Hartree
232	RY(2)C17	2410	0.002130635	0.820479437 Hartree
233	RY(3)C17	2411	0.000674719	1.816326023 Hartree
234	RY(4)C17	2412	0.000493561	0.875081486 Hartree
235	RY(5)C17	2413	0.000158913	1.147872364 Hartree
236	RY(6)C17	2414	0.000078465	2.336467246 Hartree
237	RY(7)C17	2415	0.000031731	3.825725232 Hartree
238	RY(8)C17	2416	0.000009016	2.631750182 Hartree
239	RY(9)C17	2417	0.000006281	1.847268592 Hartree
240	RY(10)C17	2418	0.000001431	2.332855454 Hartree
241	RY(1)H18	2419	0.000988760	0.632145240 Hartree
242	RY(1)H19	2420	0.000692049	0.617748442 Hartree
243	RY(1)H20	2421	0.000670777	0.618733231 Hartree
244	RY(1)H21	2422	0.000692096	0.621295848 Hartree
245	RY(1)H22	2423	0.001240377	0.667054186 Hartree
246	RY(1)H23	2424	0.003085773	0.698376468 Hartree
247	RY(1)H24	2425	0.001124690	0.631772986 Hartree
248	RY(1)H25	2426	0.000858767	0.634304623 Hartree
249	RY(1)H26	2427	0.000725728	0.714427479 Hartree
250	RY(1)H27	2428	0.000675919	0.718585322 Hartree
251	RY(1)H28	2429	0.000793343	0.709501043 Hartree

Quote

\@ I MET A TRAVELLER FROM AN ANTIQUE LAND WHO SAID... TWO VAST AND TRUNKLESS LEGS OF STONE STAND IN THE DESERT..... NEAR THEM, ON THE SAND, HALF SUNK, A SHATTERED VISAGE LIES, WHOSE FROWN, AND WRINKLED LIP, AND SNEER OF COLD COMMAND TELL THAT ITS SCULPTOR WELL THOSE PASSIONS READ WHICH YET SURVIVE, STAMPED ON THESE LIFELESS THINGS THE HAND THAT MOCKED THEM, AND THE HEART THAT FED- AND ON THE PEDESTAL THESE WORDS APPEAR MY NAME IS OZYMANDIAS, KING OF KINGS-- LOOK ON MY WORKS YE MIGHTY AND DESPAIR. NOTHING BESIDE REMAINS, ROUND THE DECAY OF THAT COLOSSAL WRECK, BOUNDLESS AND BARE THE LONE AND LEVEL SANDS STRETCH FAR AWAY. SHELLEY