WebMO Job Summary

Overview

Quantity	Value
Route	#N B3LYP/6-31G(d) SP GFINPUT POP=(FULL,NBO6Read) Geom=Connectivity
Stoichiometry	C₁₉H₁₅(1+)
Symmetry	C3
Basis	6-31G(d)
RB3LYP Energy	-732.825097561 Hartree
Dipole Moment	0.0000 Debye
Server	batch (485334)
CPU time	48671.4 sec

Rotational Constants

Constant	Frequency (GHz)	Frequency (cm^-1)
a	0.3975535	0.01326095735
b	0.3975535	0.01326095735
c	0.2129324	0.00710266033

Molecular Orbitals

Display Range		- / 315
Orbital	Symmetry	Occupancy	Energy	Actions
1	-	2	-10.39832 Hartree
2	-	2	-10.35138 Hartree
3	-	2	-10.35138 Hartree
4	-	2	-10.35137 Hartree
5	-	2	-10.33952 Hartree
6	-	2	-10.33952 Hartree
7	-	2	-10.33952 Hartree
8	-	2	-10.33950 Hartree
9	-	2	-10.33950 Hartree
10	-	2	-10.33950 Hartree
11	-	2	-10.33626 Hartree
12	-	2	-10.33626 Hartree
13	-	2	-10.33626 Hartree
14	-	2	-10.32676 Hartree
15	-	2	-10.32676 Hartree
16	-	2	-10.32676 Hartree
17	-	2	-10.32675 Hartree
18	-	2	-10.32675 Hartree
19	-	2	-10.32675 Hartree
20	-	2	-1.02668 Hartree
21	-	2	-0.99299 Hartree
22	-	2	-0.99299 Hartree
23	-	2	-0.94782 Hartree
24	-	2	-0.89419 Hartree
25	-	2	-0.89419 Hartree
26	-	2	-0.88404 Hartree
27	-	2	-0.88077 Hartree
28	-	2	-0.88077 Hartree
29	-	2	-0.81730 Hartree
30	-	2	-0.75779 Hartree
31	-	2	-0.75779 Hartree
32	-	2	-0.73637 Hartree
33	-	2	-0.73637 Hartree
34	-	2	-0.73635 Hartree
35	-	2	-0.69734 Hartree
36	-	2	-0.65978 Hartree
37	-	2	-0.65978 Hartree
38	-	2	-0.63735 Hartree
39	-	2	-0.60886 Hartree
40	-	2	-0.60886 Hartree
41	-	2	-0.59188 Hartree
42	-	2	-0.58652 Hartree
43	-	2	-0.58652 Hartree
44	-	2	-0.57456 Hartree
45	-	2	-0.56136 Hartree
46	-	2	-0.56028 Hartree
47	-	2	-0.56028 Hartree
48	-	2	-0.55430 Hartree
49	-	2	-0.55430 Hartree
50	-	2	-0.51081 Hartree
51	-	2	-0.50312 Hartree
52	-	2	-0.50312 Hartree
53	-	2	-0.50213 Hartree
54	-	2	-0.48980 Hartree
55	-	2	-0.48980 Hartree
56	-	2	-0.48282 Hartree
57	-	2	-0.47430 Hartree
58	-	2	-0.47430 Hartree
59	-	2	-0.43410 Hartree
60	-	2	-0.39731 Hartree
61	-	2	-0.39232 Hartree
62	-	2	-0.39232 Hartree
63	-	2	-0.38541 Hartree
64	-	2	-0.38541 Hartree
65	-	0	-0.25813 Hartree
66	-	0	-0.15314 Hartree
67	-	0	-0.15314 Hartree
68	-	0	-0.14939 Hartree
69	-	0	-0.13014 Hartree
70	-	0	-0.13014 Hartree
71	-	0	-0.08449 Hartree
72	-	0	-0.02641 Hartree
73	-	0	-0.02192 Hartree
74	-	0	-0.02192 Hartree
75	-	0	0.00909 Hartree
76	-	0	0.00909 Hartree
77	-	0	0.02001 Hartree
78	-	0	0.02001 Hartree
79	-	0	0.02301 Hartree
80	-	0	0.03255 Hartree
81	-	0	0.03770 Hartree
82	-	0	0.03770 Hartree
83	-	0	0.05016 Hartree
84	-	0	0.06411 Hartree
85	-	0	0.06411 Hartree
86	-	0	0.07074 Hartree
87	-	0	0.07300 Hartree
88	-	0	0.07300 Hartree
89	-	0	0.07337 Hartree
90	-	0	0.12244 Hartree
91	-	0	0.12294 Hartree
92	-	0	0.12294 Hartree
93	-	0	0.15271 Hartree
94	-	0	0.15698 Hartree
95	-	0	0.15698 Hartree
96	-	0	0.17113 Hartree
97	-	0	0.17113 Hartree
98	-	0	0.17642 Hartree
99	-	0	0.18847 Hartree
100	-	0	0.18847 Hartree
101	-	0	0.22028 Hartree
102	-	0	0.22677 Hartree
103	-	0	0.27319 Hartree
104	-	0	0.27319 Hartree
105	-	0	0.32558 Hartree
106	-	0	0.32558 Hartree
107	-	0	0.32959 Hartree
108	-	0	0.38135 Hartree
109	-	0	0.38135 Hartree
110	-	0	0.38813 Hartree
111	-	0	0.39914 Hartree
112	-	0	0.40026 Hartree
113	-	0	0.40026 Hartree
114	-	0	0.40650 Hartree
115	-	0	0.41779 Hartree
116	-	0	0.41779 Hartree
117	-	0	0.42016 Hartree
118	-	0	0.43302 Hartree
119	-	0	0.44637 Hartree
120	-	0	0.44637 Hartree
121	-	0	0.45026 Hartree
122	-	0	0.45753 Hartree
123	-	0	0.45753 Hartree
124	-	0	0.46786 Hartree
125	-	0	0.46977 Hartree
126	-	0	0.46977 Hartree
127	-	0	0.47371 Hartree
128	-	0	0.47371 Hartree
129	-	0	0.47638 Hartree
130	-	0	0.48692 Hartree
131	-	0	0.48770 Hartree
132	-	0	0.48931 Hartree
133	-	0	0.48931 Hartree
134	-	0	0.49448 Hartree
135	-	0	0.49448 Hartree
136	-	0	0.50493 Hartree
137	-	0	0.50493 Hartree
138	-	0	0.51162 Hartree
139	-	0	0.52747 Hartree
140	-	0	0.52747 Hartree
141	-	0	0.53786 Hartree
142	-	0	0.56696 Hartree
143	-	0	0.56696 Hartree
144	-	0	0.64009 Hartree
145	-	0	0.64283 Hartree
146	-	0	0.64283 Hartree
147	-	0	0.67510 Hartree
148	-	0	0.67510 Hartree
149	-	0	0.68734 Hartree
150	-	0	0.68840 Hartree
151	-	0	0.71161 Hartree
152	-	0	0.71161 Hartree
153	-	0	0.71308 Hartree
154	-	0	0.71842 Hartree
155	-	0	0.71842 Hartree
156	-	0	0.72418 Hartree
157	-	0	0.74012 Hartree
158	-	0	0.74012 Hartree
159	-	0	0.74644 Hartree
160	-	0	0.75644 Hartree
161	-	0	0.75644 Hartree
162	-	0	0.78315 Hartree
163	-	0	0.78698 Hartree
164	-	0	0.78698 Hartree
165	-	0	0.81567 Hartree
166	-	0	0.81567 Hartree
167	-	0	0.82128 Hartree
168	-	0	0.83904 Hartree
169	-	0	0.83904 Hartree
170	-	0	0.86412 Hartree
171	-	0	0.87357 Hartree
172	-	0	0.88771 Hartree
173	-	0	0.88771 Hartree
174	-	0	0.89567 Hartree
175	-	0	0.92720 Hartree
176	-	0	0.92720 Hartree
177	-	0	0.94762 Hartree
178	-	0	0.95847 Hartree
179	-	0	0.95847 Hartree
180	-	0	0.99508 Hartree
181	-	0	1.02072 Hartree
182	-	0	1.02072 Hartree
183	-	0	1.03012 Hartree
184	-	0	1.03486 Hartree
185	-	0	1.03486 Hartree
186	-	0	1.05378 Hartree
187	-	0	1.05378 Hartree
188	-	0	1.06672 Hartree
189	-	0	1.12838 Hartree
190	-	0	1.12838 Hartree
191	-	0	1.13097 Hartree
192	-	0	1.16956 Hartree
193	-	0	1.16956 Hartree
194	-	0	1.20897 Hartree
195	-	0	1.27219 Hartree
196	-	0	1.27481 Hartree
197	-	0	1.28401 Hartree
198	-	0	1.28401 Hartree
199	-	0	1.31065 Hartree
200	-	0	1.31511 Hartree
201	-	0	1.31511 Hartree
202	-	0	1.33320 Hartree
203	-	0	1.33320 Hartree
204	-	0	1.33787 Hartree
205	-	0	1.34836 Hartree
206	-	0	1.34836 Hartree
207	-	0	1.35504 Hartree
208	-	0	1.36335 Hartree
209	-	0	1.36335 Hartree
210	-	0	1.36823 Hartree
211	-	0	1.38651 Hartree
212	-	0	1.38651 Hartree
213	-	0	1.40600 Hartree
214	-	0	1.47809 Hartree
215	-	0	1.47809 Hartree
216	-	0	1.55393 Hartree
217	-	0	1.58862 Hartree
218	-	0	1.63794 Hartree
219	-	0	1.63794 Hartree
220	-	0	1.65959 Hartree
221	-	0	1.65959 Hartree
222	-	0	1.68878 Hartree
223	-	0	1.71797 Hartree
224	-	0	1.73075 Hartree
225	-	0	1.73075 Hartree
226	-	0	1.77320 Hartree
227	-	0	1.77320 Hartree
228	-	0	1.77871 Hartree
229	-	0	1.78153 Hartree
230	-	0	1.78153 Hartree
231	-	0	1.79854 Hartree
232	-	0	1.82033 Hartree
233	-	0	1.82033 Hartree
234	-	0	1.84278 Hartree
235	-	0	1.84280 Hartree
236	-	0	1.84280 Hartree
237	-	0	1.90679 Hartree
238	-	0	1.91871 Hartree
239	-	0	1.91871 Hartree
240	-	0	1.97193 Hartree
241	-	0	1.99039 Hartree
242	-	0	1.99039 Hartree
243	-	0	1.99882 Hartree
244	-	0	1.99882 Hartree
245	-	0	2.00462 Hartree
246	-	0	2.00914 Hartree
247	-	0	2.02251 Hartree
248	-	0	2.02251 Hartree
249	-	0	2.02502 Hartree
250	-	0	2.03785 Hartree
251	-	0	2.06902 Hartree
252	-	0	2.06902 Hartree
253	-	0	2.10486 Hartree
254	-	0	2.10486 Hartree
255	-	0	2.14904 Hartree
256	-	0	2.14904 Hartree
257	-	0	2.15825 Hartree
258	-	0	2.16823 Hartree
259	-	0	2.17820 Hartree
260	-	0	2.17820 Hartree
261	-	0	2.18235 Hartree
262	-	0	2.25498 Hartree
263	-	0	2.25498 Hartree
264	-	0	2.28815 Hartree
265	-	0	2.34405 Hartree
266	-	0	2.34405 Hartree
267	-	0	2.41651 Hartree
268	-	0	2.41651 Hartree
269	-	0	2.46313 Hartree
270	-	0	2.46724 Hartree
271	-	0	2.46724 Hartree
272	-	0	2.48493 Hartree
273	-	0	2.50011 Hartree
274	-	0	2.50011 Hartree
275	-	0	2.50476 Hartree
276	-	0	2.53310 Hartree
277	-	0	2.56115 Hartree
278	-	0	2.58678 Hartree
279	-	0	2.58678 Hartree
280	-	0	2.59769 Hartree
281	-	0	2.59769 Hartree
282	-	0	2.60196 Hartree
283	-	0	2.62086 Hartree
284	-	0	2.62086 Hartree
285	-	0	2.63875 Hartree
286	-	0	2.67305 Hartree
287	-	0	2.67305 Hartree
288	-	0	2.74768 Hartree
289	-	0	2.78940 Hartree
290	-	0	2.78940 Hartree
291	-	0	2.86341 Hartree
292	-	0	3.04398 Hartree
293	-	0	3.04398 Hartree
294	-	0	3.24925 Hartree
295	-	0	3.27775 Hartree
296	-	0	3.27775 Hartree
297	-	0	3.95124 Hartree
298	-	0	3.95124 Hartree
299	-	0	3.95537 Hartree
300	-	0	3.99112 Hartree
301	-	0	3.99159 Hartree
302	-	0	3.99159 Hartree
303	-	0	4.02777 Hartree
304	-	0	4.02970 Hartree
305	-	0	4.02970 Hartree
306	-	0	4.08828 Hartree
307	-	0	4.20012 Hartree
308	-	0	4.20012 Hartree
309	-	0	4.22198 Hartree
310	-	0	4.22413 Hartree
311	-	0	4.22413 Hartree
312	-	0	4.32725 Hartree
313	-	0	4.52936 Hartree
314	-	0	4.52936 Hartree
315	-	0	4.63818 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom	Symbol	Charge
1	C	0.21619
2	C	-0.11370
3	C	-0.16862
4	C	-0.22963
5	C	-0.15123
6	C	-0.22963
7	C	-0.16862
8	H	0.26257
9	H	0.26644
10	H	0.26468
11	H	0.26644
12	H	0.26257
13	C	-0.11370
14	C	-0.16862
15	C	-0.22963
16	C	-0.15123
17	C	-0.22963
18	C	-0.16862
19	H	0.26257
20	H	0.26644
21	H	0.26468
22	H	0.26644
23	H	0.26257
24	C	-0.11370
25	C	-0.16862
26	C	-0.22963
27	C	-0.15123
28	C	-0.22963
29	C	-0.16862
30	H	0.26257
31	H	0.26644
32	H	0.26468
33	H	0.26644
34	H	0.26257

Natural Atomic Orbitals

Display Range		- / 315
Orbital	Description	Occupancy	Energy	Actions
1	C1 Cor(1s)	1.999996416	-10.398281372 Hartree
2	C1 Val(2s)	0.887343883	-0.228929903 Hartree
3	C1 Ryd(3s)	0.000386252	0.908168958 Hartree
4	C1 Ryd(4s)	0.000066531	4.055123352 Hartree
5	C1 Val(2p)	1.067595144	-0.171648444 Hartree
6	C1 Ryd(3p)	0.003465230	0.880430783 Hartree
7	C1 Val(2p)	1.067595144	-0.171648444 Hartree
8	C1 Ryd(3p)	0.003465230	0.880430783 Hartree
9	C1 Val(2p)	0.745142064	-0.261922148 Hartree
10	C1 Ryd(3p)	0.005175910	0.600171544 Hartree
11	C1 Ryd(3d)	0.000960043	2.315202787 Hartree
12	C1 Ryd(3d)	0.000584816	1.827499782 Hartree
13	C1 Ryd(3d)	0.000584816	1.827499782 Hartree
14	C1 Ryd(3d)	0.000960043	2.315202787 Hartree
15	C1 Ryd(3d)	0.000485236	2.163848354 Hartree
16	C2 Cor(1s)	1.999995969	-10.351334643 Hartree
17	C2 Val(2s)	0.883081597	-0.206963562 Hartree
18	C2 Ryd(3s)	0.000713395	0.963435862 Hartree
19	C2 Ryd(4s)	0.000074296	4.171819396 Hartree
20	C2 Val(2p)	1.066450259	-0.163526449 Hartree
21	C2 Ryd(3p)	0.004285413	1.047872050 Hartree
22	C2 Val(2p)	1.089325784	-0.194509781 Hartree
23	C2 Ryd(3p)	0.004270089	0.869531617 Hartree
24	C2 Val(2p)	1.061358979	-0.228474446 Hartree
25	C2 Ryd(3p)	0.001089503	0.683398634 Hartree
26	C2 Ryd(3d)	0.000589537	2.244292817 Hartree
27	C2 Ryd(3d)	0.000424150	1.965256502 Hartree
28	C2 Ryd(3d)	0.000586195	2.124573032 Hartree
29	C2 Ryd(3d)	0.000843210	2.211098284 Hartree
30	C2 Ryd(3d)	0.000613137	1.939410379 Hartree
31	C3 Cor(1s)	1.999996069	-10.339477229 Hartree
32	C3 Val(2s)	0.967895259	-0.232122023 Hartree
33	C3 Ryd(3s)	0.000690990	1.058607426 Hartree
34	C3 Ryd(4s)	0.000060248	4.019344441 Hartree
35	C3 Val(2p)	1.101773299	-0.151228819 Hartree
36	C3 Ryd(3p)	0.003623226	0.759392834 Hartree
37	C3 Val(2p)	1.067099496	-0.194116686 Hartree
38	C3 Ryd(3p)	0.003304708	0.758498562 Hartree
39	C3 Val(2p)	1.018580137	-0.219910841 Hartree
40	C3 Ryd(3p)	0.002092447	0.657669920 Hartree
41	C3 Ryd(3d)	0.000880785	2.076065340 Hartree
42	C3 Ryd(3d)	0.000738495	1.916100117 Hartree
43	C3 Ryd(3d)	0.000802481	2.060801204 Hartree
44	C3 Ryd(3d)	0.000647770	2.173636954 Hartree
45	C3 Ryd(3d)	0.000434608	1.893703357 Hartree
46	C4 Cor(1s)	1.999996259	-10.326740003 Hartree
47	C4 Val(2s)	0.974960730	-0.229303308 Hartree
48	C4 Ryd(3s)	0.000591311	1.140679766 Hartree
49	C4 Ryd(4s)	0.000049293	3.870281216 Hartree
50	C4 Val(2p)	1.091312053	-0.138521185 Hartree
51	C4 Ryd(3p)	0.004528118	0.676297065 Hartree
52	C4 Val(2p)	1.108710565	-0.187857782 Hartree
53	C4 Ryd(3p)	0.003742412	0.767476205 Hartree
54	C4 Val(2p)	1.040237015	-0.211766609 Hartree
55	C4 Ryd(3p)	0.002040481	0.632387161 Hartree
56	C4 Ryd(3d)	0.000782056	2.082269884 Hartree
57	C4 Ryd(3d)	0.000614204	1.927075146 Hartree
58	C4 Ryd(3d)	0.000805773	2.049556624 Hartree
59	C4 Ryd(3d)	0.000745873	2.144757097 Hartree
60	C4 Ryd(3d)	0.000513131	1.868885612 Hartree
61	C5 Cor(1s)	1.999996311	-10.336216157 Hartree
62	C5 Val(2s)	0.986011326	-0.238975676 Hartree
63	C5 Ryd(3s)	0.000444511	1.131709336 Hartree
64	C5 Ryd(4s)	0.000048414	3.872186603 Hartree
65	C5 Val(2p)	1.210695538	-0.177436057 Hartree
66	C5 Ryd(3p)	0.005388209	0.996947348 Hartree
67	C5 Val(2p)	1.003153079	-0.160637047 Hartree
68	C5 Ryd(3p)	0.002662730	0.549668659 Hartree
69	C5 Val(2p)	0.937717814	-0.199863464 Hartree
70	C5 Ryd(3p)	0.001498022	0.522437876 Hartree
71	C5 Ryd(3d)	0.000701207	2.057045196 Hartree
72	C5 Ryd(3d)	0.000548070	1.841209001 Hartree
73	C5 Ryd(3d)	0.000635096	2.164819382 Hartree
74	C5 Ryd(3d)	0.001050571	2.069681765 Hartree
75	C5 Ryd(3d)	0.000678753	1.888584069 Hartree
76	C6 Cor(1s)	1.999996259	-10.326739952 Hartree
77	C6 Val(2s)	0.974960983	-0.229303445 Hartree
78	C6 Ryd(3s)	0.000591292	1.140676410 Hartree
79	C6 Ryd(4s)	0.000049293	3.870284555 Hartree
80	C6 Val(2p)	1.091312824	-0.138521426 Hartree
81	C6 Ryd(3p)	0.004528154	0.676297285 Hartree
82	C6 Val(2p)	1.108711530	-0.187858132 Hartree
83	C6 Ryd(3p)	0.003742422	0.767474749 Hartree
84	C6 Val(2p)	1.040237972	-0.211767117 Hartree
85	C6 Ryd(3p)	0.002040547	0.632385395 Hartree
86	C6 Ryd(3d)	0.000782049	2.082270309 Hartree
87	C6 Ryd(3d)	0.000614201	1.927075821 Hartree
88	C6 Ryd(3d)	0.000805783	2.049556544 Hartree
89	C6 Ryd(3d)	0.000745875	2.144757344 Hartree
90	C6 Ryd(3d)	0.000513132	1.868885725 Hartree
91	C7 Cor(1s)	1.999996069	-10.339477294 Hartree
92	C7 Val(2s)	0.967895235	-0.232121744 Hartree
93	C7 Ryd(3s)	0.000691030	1.058615686 Hartree
94	C7 Ryd(4s)	0.000060246	4.019335411 Hartree
95	C7 Val(2p)	1.101772342	-0.151228292 Hartree
96	C7 Ryd(3p)	0.003623253	0.759392228 Hartree
97	C7 Val(2p)	1.067099111	-0.194116185 Hartree
98	C7 Ryd(3p)	0.003304695	0.758498940 Hartree
99	C7 Val(2p)	1.018579227	-0.219910195 Hartree
100	C7 Ryd(3p)	0.002092426	0.657670721 Hartree
101	C7 Ryd(3d)	0.000880787	2.076064698 Hartree
102	C7 Ryd(3d)	0.000738491	1.916099419 Hartree
103	C7 Ryd(3d)	0.000802474	2.060800877 Hartree
104	C7 Ryd(3d)	0.000647768	2.173636733 Hartree
105	C7 Ryd(3d)	0.000434604	1.893703368 Hartree
106	H8 Val(1s)	0.736587356	-0.012845481 Hartree
107	H8 Ryd(2s)	0.000846897	0.503323585 Hartree
108	H9 Val(1s)	0.732896068	0.001504507 Hartree
109	H9 Ryd(2s)	0.000660751	0.458989161 Hartree
110	H10 Val(1s)	0.734664100	0.000169351 Hartree
111	H10 Ryd(2s)	0.000654643	0.458744807 Hartree
112	H11 Val(1s)	0.732896681	0.001504130 Hartree
113	H11 Ryd(2s)	0.000660767	0.458989410 Hartree
114	H12 Val(1s)	0.736586383	-0.012845567 Hartree
115	H12 Ryd(2s)	0.000846903	0.503323332 Hartree
116	C13 Cor(1s)	1.999995969	-10.351334643 Hartree
117	C13 Val(2s)	0.883081597	-0.206963562 Hartree
118	C13 Ryd(3s)	0.000713395	0.963435862 Hartree
119	C13 Ryd(4s)	0.000074296	4.171819396 Hartree
120	C13 Val(2p)	1.083606999	-0.186763925 Hartree
121	C13 Ryd(3p)	0.004273893	0.914116998 Hartree
122	C13 Val(2p)	1.072169045	-0.171272306 Hartree
123	C13 Ryd(3p)	0.004281608	1.003286668 Hartree
124	C13 Val(2p)	1.061358979	-0.228474446 Hartree
125	C13 Ryd(3p)	0.001089503	0.683398634 Hartree
126	C13 Ryd(3d)	0.000779793	2.219397008 Hartree
127	C13 Ryd(3d)	0.000545683	2.084743975 Hartree
128	C13 Ryd(3d)	0.000464662	2.005085559 Hartree
129	C13 Ryd(3d)	0.000652953	2.235994092 Hartree
130	C13 Ryd(3d)	0.000613137	1.939410379 Hartree
131	C14 Cor(1s)	1.999996069	-10.339477229 Hartree
132	C14 Val(2s)	0.967895259	-0.232122023 Hartree
133	C14 Ryd(3s)	0.000690990	1.058607426 Hartree
134	C14 Ryd(4s)	0.000060248	4.019344441 Hartree
135	C14 Val(2p)	1.135887640	-0.201064538 Hartree
136	C14 Ryd(3p)	0.003810033	0.895786662 Hartree
137	C14 Val(2p)	1.032985155	-0.144280966 Hartree
138	C14 Ryd(3p)	0.003117901	0.622104734 Hartree
139	C14 Val(2p)	1.018580137	-0.219910841 Hartree
140	C14 Ryd(3p)	0.002092447	0.657669920 Hartree
141	C14 Ryd(3d)	0.000721203	2.150683359 Hartree
142	C14 Ryd(3d)	0.000880103	1.979971491 Hartree
143	C14 Ryd(3d)	0.000660873	1.996929830 Hartree
144	C14 Ryd(3d)	0.000807352	2.099018935 Hartree
145	C14 Ryd(3d)	0.000434608	1.893703357 Hartree
146	C15 Cor(1s)	1.999996259	-10.326740003 Hartree
147	C15 Val(2s)	0.974960730	-0.229303308 Hartree
148	C15 Ryd(3s)	0.000591311	1.140679765 Hartree
149	C15 Ryd(4s)	0.000049293	3.870281217 Hartree
150	C15 Val(2p)	1.056141548	-0.160304567 Hartree
151	C15 Ryd(3p)	0.003555553	0.617005852 Hartree
152	C15 Val(2p)	1.143881071	-0.166074401 Hartree
153	C15 Ryd(3p)	0.004714978	0.826767418 Hartree
154	C15 Val(2p)	1.040237015	-0.211766609 Hartree
155	C15 Ryd(3p)	0.002040481	0.632387161 Hartree
156	C15 Ryd(3d)	0.000770401	2.125817319 Hartree
157	C15 Ryd(3d)	0.000666411	2.067681501 Hartree
158	C15 Ryd(3d)	0.000753566	1.908950269 Hartree
159	C15 Ryd(3d)	0.000757529	2.101209662 Hartree
160	C15 Ryd(3d)	0.000513131	1.868885612 Hartree
161	C16 Cor(1s)	1.999996311	-10.336216157 Hartree
162	C16 Val(2s)	0.986011326	-0.238975676 Hartree
163	C16 Ryd(3s)	0.000444511	1.131709336 Hartree
164	C16 Ryd(4s)	0.000048414	3.872186602 Hartree
165	C16 Val(2p)	1.055038572	-0.164836660 Hartree
166	C16 Ryd(3p)	0.003344096	0.661488733 Hartree
167	C16 Val(2p)	1.158810045	-0.173236443 Hartree
168	C16 Ryd(3p)	0.004706844	0.885127275 Hartree
169	C16 Val(2p)	0.937717814	-0.199863464 Hartree
170	C16 Ryd(3p)	0.001498022	0.522437876 Hartree
171	C16 Ryd(3d)	0.000963226	2.066522480 Hartree
172	C16 Ryd(3d)	0.000613341	2.083916659 Hartree
173	C16 Ryd(3d)	0.000569825	1.922111724 Hartree
174	C16 Ryd(3d)	0.000788552	2.060204480 Hartree
175	C16 Ryd(3d)	0.000678753	1.888584069 Hartree
176	C17 Cor(1s)	1.999996259	-10.326739952 Hartree
177	C17 Val(2s)	0.974960983	-0.229303445 Hartree
178	C17 Ryd(3s)	0.000591292	1.140676410 Hartree
179	C17 Ryd(4s)	0.000049293	3.870284555 Hartree
180	C17 Val(2p)	1.152581296	-0.190743130 Hartree
181	C17 Ryd(3p)	0.004322145	0.872356174 Hartree
182	C17 Val(2p)	1.047443058	-0.135636428 Hartree
183	C17 Ryd(3p)	0.003948431	0.571415860 Hartree
184	C17 Val(2p)	1.040237972	-0.211767117 Hartree
185	C17 Ryd(3p)	0.002040547	0.632385395 Hartree
186	C17 Ryd(3d)	0.000739439	2.132453521 Hartree
187	C17 Ryd(3d)	0.000849358	1.970191115 Hartree
188	C17 Ryd(3d)	0.000570626	2.006441250 Hartree
189	C17 Ryd(3d)	0.000788486	2.094574131 Hartree
190	C17 Ryd(3d)	0.000513132	1.868885725 Hartree
191	C18 Cor(1s)	1.999996069	-10.339477294 Hartree
192	C18 Val(2s)	0.967895235	-0.232121744 Hartree
193	C18 Ryd(3s)	0.000691030	1.058615686 Hartree
194	C18 Ryd(4s)	0.000060246	4.019335411 Hartree
195	C18 Val(2p)	1.015647774	-0.165724666 Hartree
196	C18 Ryd(3p)	0.002958645	0.621657851 Hartree
197	C18 Val(2p)	1.153223678	-0.179619812 Hartree
198	C18 Ryd(3p)	0.003969303	0.896233317 Hartree
199	C18 Val(2p)	1.018579227	-0.219910195 Hartree
200	C18 Ryd(3p)	0.002092426	0.657670721 Hartree
201	C18 Ryd(3d)	0.000690842	2.147804252 Hartree
202	C18 Ryd(3d)	0.000692863	2.069280019 Hartree
203	C18 Ryd(3d)	0.000848103	1.907620276 Hartree
204	C18 Ryd(3d)	0.000837713	2.101897179 Hartree
205	C18 Ryd(3d)	0.000434604	1.893703368 Hartree
206	H19 Val(1s)	0.736587356	-0.012845481 Hartree
207	H19 Ryd(2s)	0.000846897	0.503323585 Hartree
208	H20 Val(1s)	0.732896068	0.001504507 Hartree
209	H20 Ryd(2s)	0.000660751	0.458989161 Hartree
210	H21 Val(1s)	0.734664100	0.000169351 Hartree
211	H21 Ryd(2s)	0.000654643	0.458744807 Hartree
212	H22 Val(1s)	0.732896681	0.001504130 Hartree
213	H22 Ryd(2s)	0.000660767	0.458989410 Hartree
214	H23 Val(1s)	0.736586383	-0.012845567 Hartree
215	H23 Ryd(2s)	0.000846903	0.503323332 Hartree
216	C24 Cor(1s)	1.999995969	-10.351334643 Hartree
217	C24 Val(2s)	0.883081597	-0.206963562 Hartree
218	C24 Ryd(3s)	0.000713395	0.963435862 Hartree
219	C24 Ryd(4s)	0.000074296	4.171819396 Hartree
220	C24 Val(2p)	1.083606807	-0.186763972 Hartree
221	C24 Ryd(3p)	0.004273946	0.914116451 Hartree
222	C24 Val(2p)	1.072169236	-0.171272259 Hartree
223	C24 Ryd(3p)	0.004281555	1.003287215 Hartree
224	C24 Val(2p)	1.061358979	-0.228474446 Hartree
225	C24 Ryd(3p)	0.001089503	0.683398634 Hartree
226	C24 Ryd(3d)	0.000779790	2.219396826 Hartree
227	C24 Ryd(3d)	0.000545685	2.084743824 Hartree
228	C24 Ryd(3d)	0.000464660	2.005085710 Hartree
229	C24 Ryd(3d)	0.000652957	2.235994275 Hartree
230	C24 Ryd(3d)	0.000613137	1.939410379 Hartree
231	C25 Cor(1s)	1.999996069	-10.339477229 Hartree
232	C25 Val(2s)	0.967895259	-0.232122023 Hartree
233	C25 Ryd(3s)	0.000690990	1.058607426 Hartree
234	C25 Ryd(4s)	0.000060248	4.019344441 Hartree
235	C25 Val(2p)	1.015648253	-0.165724900 Hartree
236	C25 Ryd(3p)	0.002958641	0.621657598 Hartree
237	C25 Val(2p)	1.153224542	-0.179620604 Hartree
238	C25 Ryd(3p)	0.003969292	0.896233798 Hartree
239	C25 Val(2p)	1.018580137	-0.219910841 Hartree
240	C25 Ryd(3p)	0.002092447	0.657669920 Hartree
241	C25 Ryd(3d)	0.000690845	2.147804743 Hartree
242	C25 Ryd(3d)	0.000692866	2.069280374 Hartree
243	C25 Ryd(3d)	0.000848110	1.907620948 Hartree
244	C25 Ryd(3d)	0.000837710	2.101897552 Hartree
245	C25 Ryd(3d)	0.000434608	1.893703357 Hartree
246	C26 Cor(1s)	1.999996259	-10.326740003 Hartree
247	C26 Val(2s)	0.974960730	-0.229303308 Hartree
248	C26 Ryd(3s)	0.000591311	1.140679766 Hartree
249	C26 Ryd(4s)	0.000049293	3.870281217 Hartree
250	C26 Val(2p)	1.152580327	-0.190742699 Hartree
251	C26 Ryd(3p)	0.004322125	0.872356989 Hartree
252	C26 Val(2p)	1.047442292	-0.135636269 Hartree
253	C26 Ryd(3p)	0.003948405	0.571416282 Hartree
254	C26 Val(2p)	1.040237015	-0.211766609 Hartree
255	C26 Ryd(3p)	0.002040481	0.632387161 Hartree
256	C26 Ryd(3d)	0.000739437	2.132453268 Hartree
257	C26 Ryd(3d)	0.000849350	1.970191008 Hartree
258	C26 Ryd(3d)	0.000570627	2.006440762 Hartree
259	C26 Ryd(3d)	0.000788492	2.094573713 Hartree
260	C26 Ryd(3d)	0.000513131	1.868885612 Hartree
261	C27 Cor(1s)	1.999996311	-10.336216157 Hartree
262	C27 Val(2s)	0.986011326	-0.238975676 Hartree
263	C27 Ryd(3s)	0.000444511	1.131709336 Hartree
264	C27 Ryd(4s)	0.000048414	3.872186602 Hartree
265	C27 Val(2p)	1.055038816	-0.164836939 Hartree
266	C27 Ryd(3p)	0.003344104	0.661487930 Hartree
267	C27 Val(2p)	1.158809802	-0.173236165 Hartree
268	C27 Ryd(3p)	0.004706835	0.885128078 Hartree
269	C27 Val(2p)	0.937717814	-0.199863464 Hartree
270	C27 Ryd(3p)	0.001498022	0.522437876 Hartree
271	C27 Ryd(3d)	0.000963234	2.066522765 Hartree
272	C27 Ryd(3d)	0.000613338	2.083916915 Hartree
273	C27 Ryd(3d)	0.000569828	1.922111468 Hartree
274	C27 Ryd(3d)	0.000788544	2.060204196 Hartree
275	C27 Ryd(3d)	0.000678753	1.888584069 Hartree
276	C28 Cor(1s)	1.999996259	-10.326739952 Hartree
277	C28 Val(2s)	0.974960983	-0.229303445 Hartree
278	C28 Ryd(3s)	0.000591292	1.140676410 Hartree
279	C28 Ryd(4s)	0.000049293	3.870284555 Hartree
280	C28 Val(2p)	1.056142411	-0.160304781 Hartree
281	C28 Ryd(3p)	0.003555565	0.617004592 Hartree
282	C28 Val(2p)	1.143881942	-0.166074776 Hartree
283	C28 Ryd(3p)	0.004715010	0.826767442 Hartree
284	C28 Val(2p)	1.040237972	-0.211767117 Hartree
285	C28 Ryd(3p)	0.002040547	0.632385395 Hartree
286	C28 Ryd(3d)	0.000770399	2.125817649 Hartree
287	C28 Ryd(3d)	0.000666417	2.067681611 Hartree
288	C28 Ryd(3d)	0.000753567	1.908950754 Hartree
289	C28 Ryd(3d)	0.000757526	2.101210004 Hartree
290	C28 Ryd(3d)	0.000513132	1.868885725 Hartree
291	C29 Cor(1s)	1.999996069	-10.339477294 Hartree
292	C29 Val(2s)	0.967895235	-0.232121744 Hartree
293	C29 Ryd(3s)	0.000691030	1.058615686 Hartree
294	C29 Ryd(4s)	0.000060246	4.019335411 Hartree
295	C29 Val(2p)	1.135887063	-0.201063758 Hartree
296	C29 Ryd(3p)	0.003810024	0.895786673 Hartree
297	C29 Val(2p)	1.032984390	-0.144280719 Hartree
298	C29 Ryd(3p)	0.003117924	0.622104495 Hartree
299	C29 Val(2p)	1.018579227	-0.219910195 Hartree
300	C29 Ryd(3p)	0.002092426	0.657670721 Hartree
301	C29 Ryd(3d)	0.000721203	2.150683196 Hartree
302	C29 Ryd(3d)	0.000880095	1.979971005 Hartree
303	C29 Ryd(3d)	0.000660871	1.996929291 Hartree
304	C29 Ryd(3d)	0.000807352	2.099018234 Hartree
305	C29 Ryd(3d)	0.000434604	1.893703368 Hartree
306	H30 Val(1s)	0.736587356	-0.012845481 Hartree
307	H30 Ryd(2s)	0.000846897	0.503323585 Hartree
308	H31 Val(1s)	0.732896068	0.001504507 Hartree
309	H31 Ryd(2s)	0.000660751	0.458989161 Hartree
310	H32 Val(1s)	0.734664100	0.000169351 Hartree
311	H32 Ryd(2s)	0.000654643	0.458744807 Hartree
312	H33 Val(1s)	0.732896681	0.001504130 Hartree
313	H33 Ryd(2s)	0.000660767	0.458989410 Hartree
314	H34 Val(1s)	0.736586383	-0.012845567 Hartree
315	H34 Ryd(2s)	0.000846903	0.503323332 Hartree

Natural Hybrid Orbitals

Display Range		- / 315
Orbital	Description	Occupancy	Energy	Actions
1	CR(1)C1 s(100.00%)	1.999996416	-10.398281372 Hartree
2	CR(1)C2 s(100.00%)	1.999995969	-10.351334643 Hartree
3	CR(1)C3 s(100.00%)	1.999996069	-10.339477229 Hartree
4	CR(1)C4 s(100.00%)	1.999996259	-10.326740003 Hartree
5	CR(1)C5 s(100.00%)	1.999996311	-10.336216157 Hartree
6	CR(1)C6 s(100.00%)	1.999996259	-10.326739952 Hartree
7	CR(1)C7 s(100.00%)	1.999996069	-10.339477294 Hartree
8	CR(1)C13 s(100.00%)	1.999995969	-10.351334643 Hartree
9	CR(1)C14 s(100.00%)	1.999996069	-10.339477229 Hartree
10	CR(1)C15 s(100.00%)	1.999996259	-10.326740003 Hartree
11	CR(1)C16 s(100.00%)	1.999996311	-10.336216157 Hartree
12	CR(1)C17 s(100.00%)	1.999996259	-10.326739952 Hartree
13	CR(1)C18 s(100.00%)	1.999996069	-10.339477294 Hartree
14	CR(1)C24 s(100.00%)	1.999995969	-10.351334643 Hartree
15	CR(1)C25 s(100.00%)	1.999996069	-10.339477229 Hartree
16	CR(1)C26 s(100.00%)	1.999996259	-10.326740003 Hartree
17	CR(1)C27 s(100.00%)	1.999996311	-10.336216157 Hartree
18	CR(1)C28 s(100.00%)	1.999996259	-10.326739952 Hartree
19	CR(1)C29 s(100.00%)	1.999996069	-10.339477294 Hartree
20	BD(1)C1(C2) 1s(33.32%)p2.00(66.63%)d0.00(0.05%)	1.007996738	-0.188705126 Hartree
21	BD(1)C2(C1) 2s(32.62%)p2.06(67.32%)d0.00(0.06%)	0.992544227	-0.182154634 Hartree
22	BD(1)C1(C13) 1s(33.32%)p2.00(66.63%)d0.00(0.05%)	1.007996738	-0.188705126 Hartree
23	BD(1)C13(C1) 13s(32.62%)p2.06(67.32%)d0.00(0.06%)	0.992544227	-0.182154634 Hartree
24	BD(1)C1(C24) 1s(33.32%)p2.00(66.63%)d0.00(0.05%)	1.007996738	-0.188705126 Hartree
25	BD(1)C24(C1) 24s(32.62%)p2.06(67.32%)d0.00(0.06%)	0.992544227	-0.182154634 Hartree
26	BD(1)C2(C3) 2s(33.62%)p1.97(66.33%)d0.00(0.05%)	1.032770158	-0.175073892 Hartree
27	BD(1)C3(C2) 3s(34.16%)p1.93(65.77%)d0.00(0.07%)	0.962782343	-0.140684383 Hartree
28	BD(1)C2(C7) 2s(33.66%)p1.97(66.30%)d0.00(0.05%)	1.032563726	-0.175460807 Hartree
29	BD(1)C7(C2) 7s(34.13%)p1.93(65.80%)d0.00(0.07%)	0.963780061	-0.141174266 Hartree
30	BD(2)C2(C7) 2s(0.05%)p99.99(99.94%)d0.29(0.01%)	1.044004430	-0.253779581 Hartree
31	BD(2)C7(C2) 7s(0.06%)p99.99(99.90%)d0.78(0.04%)	0.931185246	-0.241759523 Hartree
32	BD(1)C3(C4) 3s(36.11%)p1.77(63.83%)d0.00(0.06%)	1.008143893	-0.138346613 Hartree
33	BD(1)C4(C3) 4s(35.28%)p1.83(64.65%)d0.00(0.07%)	0.985976325	-0.127471815 Hartree
34	BD(2)C3(C4) 3s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.932308535	-0.242893095 Hartree
35	BD(2)C4(C3) 4s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.974288272	-0.233875013 Hartree
36	BD(1)C3(H12) 3s(29.65%)p2.37(70.27%)d0.00(0.07%)	1.256941856	-0.258184480 Hartree
37	BD(1)H12(C3) 12s(100.00%)	0.736583713	-0.011799566 Hartree
38	BD(1)C4(C5) 4s(34.77%)p1.87(65.16%)d0.00(0.07%)	1.000571304	-0.139329197 Hartree
39	BD(1)C5(C4) 5s(35.14%)p1.84(64.80%)d0.00(0.07%)	0.996024280	-0.137563811 Hartree
40	BD(1)C4(H11) 4s(29.89%)p2.34(70.04%)d0.00(0.07%)	1.260242991	-0.248025130 Hartree
41	BD(1)H11(C4) 11s(100.00%)	0.732894741	0.002386279 Hartree
42	BD(1)C5(C6) 5s(35.14%)p1.84(64.80%)d0.00(0.07%)	0.996043191	-0.137570321 Hartree
43	BD(1)C6(C5) 6s(34.77%)p1.87(65.16%)d0.00(0.07%)	1.000572815	-0.139333492 Hartree
44	BD(2)C5(C6) 5s(0.00%)p1.00(99.94%)d0.00(0.06%)	0.891644732	-0.233821707 Hartree
45	BD(2)C6(C5) 6s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.974307351	-0.234052195 Hartree
46	BD(1)C5(H10) 5s(29.66%)p2.37(70.27%)d0.00(0.07%)	1.259449201	-0.249630145 Hartree
47	BD(1)H10(C5) 10s(100.00%)	0.734662038	0.001078622 Hartree
48	BD(1)C6(C7) 6s(35.28%)p1.83(64.65%)d0.00(0.07%)	0.985961084	-0.127473402 Hartree
49	BD(1)C7(C6) 7s(36.10%)p1.77(63.84%)d0.00(0.06%)	1.008150428	-0.138351369 Hartree
50	BD(1)C6(H9) 6s(29.89%)p2.34(70.04%)d0.00(0.07%)	1.260239526	-0.248032326 Hartree
51	BD(1)H9(C6) 9s(100.00%)	0.732894128	0.002386654 Hartree
52	BD(1)C7(H8) 7s(29.64%)p2.37(70.29%)d0.00(0.07%)	1.256942278	-0.258200220 Hartree
53	BD(1)H8(C7) 8s(100.00%)	0.736584686	-0.011799532 Hartree
54	BD(1)C13(C14) 13s(33.62%)p1.97(66.33%)d0.00(0.05%)	1.032770158	-0.175073892 Hartree
55	BD(1)C14(C13) 14s(34.16%)p1.93(65.77%)d0.00(0.07%)	0.962782343	-0.140684383 Hartree
56	BD(1)C13(C18) 13s(33.66%)p1.97(66.30%)d0.00(0.05%)	1.032563726	-0.175460807 Hartree
57	BD(1)C18(C13) 18s(34.13%)p1.93(65.80%)d0.00(0.07%)	0.963780061	-0.141174266 Hartree
58	BD(2)C13(C18) 13s(0.05%)p99.99(99.94%)d0.29(0.01%)	1.044004430	-0.253779581 Hartree
59	BD(2)C18(C13) 18s(0.06%)p99.99(99.90%)d0.78(0.04%)	0.931185246	-0.241759523 Hartree
60	BD(1)C14(C15) 14s(36.11%)p1.77(63.83%)d0.00(0.06%)	1.008143893	-0.138346613 Hartree
61	BD(1)C15(C14) 15s(35.28%)p1.83(64.65%)d0.00(0.07%)	0.985976325	-0.127471815 Hartree
62	BD(2)C14(C15) 14s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.932308535	-0.242893095 Hartree
63	BD(2)C15(C14) 15s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.974288272	-0.233875013 Hartree
64	BD(1)C14(H23) 14s(29.65%)p2.37(70.27%)d0.00(0.07%)	1.256941856	-0.258184480 Hartree
65	BD(1)H23(C14) 23s(100.00%)	0.736583713	-0.011799566 Hartree
66	BD(1)C15(C16) 15s(34.77%)p1.87(65.16%)d0.00(0.07%)	1.000571304	-0.139329197 Hartree
67	BD(1)C16(C15) 16s(35.14%)p1.84(64.80%)d0.00(0.07%)	0.996024280	-0.137563811 Hartree
68	BD(1)C15(H22) 15s(29.89%)p2.34(70.04%)d0.00(0.07%)	1.260242991	-0.248025130 Hartree
69	BD(1)H22(C15) 22s(100.00%)	0.732894741	0.002386279 Hartree
70	BD(1)C16(C17) 16s(35.14%)p1.84(64.80%)d0.00(0.07%)	0.996043191	-0.137570321 Hartree
71	BD(1)C17(C16) 17s(34.77%)p1.87(65.16%)d0.00(0.07%)	1.000572815	-0.139333492 Hartree
72	BD(2)C16(C17) 16s(0.00%)p1.00(99.94%)d0.00(0.06%)	0.891644732	-0.233821707 Hartree
73	BD(2)C17(C16) 17s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.974307351	-0.234052195 Hartree
74	BD(1)C16(H21) 16s(29.66%)p2.37(70.27%)d0.00(0.07%)	1.259449201	-0.249630145 Hartree
75	BD(1)H21(C16) 21s(100.00%)	0.734662038	0.001078622 Hartree
76	BD(1)C17(C18) 17s(35.28%)p1.83(64.65%)d0.00(0.07%)	0.985961084	-0.127473402 Hartree
77	BD(1)C18(C17) 18s(36.10%)p1.77(63.84%)d0.00(0.06%)	1.008150428	-0.138351369 Hartree
78	BD(1)C17(H20) 17s(29.89%)p2.34(70.04%)d0.00(0.07%)	1.260239526	-0.248032326 Hartree
79	BD(1)H20(C17) 20s(100.00%)	0.732894128	0.002386654 Hartree
80	BD(1)C18(H19) 18s(29.64%)p2.37(70.29%)d0.00(0.07%)	1.256942278	-0.258200220 Hartree
81	BD(1)H19(C18) 19s(100.00%)	0.736584686	-0.011799532 Hartree
82	BD(1)C24(C25) 24s(33.62%)p1.97(66.33%)d0.00(0.05%)	1.032770158	-0.175073892 Hartree
83	BD(1)C25(C24) 25s(34.16%)p1.93(65.77%)d0.00(0.07%)	0.962782343	-0.140684383 Hartree
84	BD(1)C24(C29) 24s(33.66%)p1.97(66.30%)d0.00(0.05%)	1.032563726	-0.175460807 Hartree
85	BD(1)C29(C24) 29s(34.13%)p1.93(65.80%)d0.00(0.07%)	0.963780061	-0.141174266 Hartree
86	BD(2)C24(C29) 24s(0.05%)p99.99(99.94%)d0.29(0.01%)	1.044004430	-0.253779581 Hartree
87	BD(2)C29(C24) 29s(0.06%)p99.99(99.90%)d0.78(0.04%)	0.931185246	-0.241759523 Hartree
88	BD(1)C25(C26) 25s(36.11%)p1.77(63.83%)d0.00(0.06%)	1.008143893	-0.138346613 Hartree
89	BD(1)C26(C25) 26s(35.28%)p1.83(64.65%)d0.00(0.07%)	0.985976325	-0.127471815 Hartree
90	BD(2)C25(C26) 25s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.932308535	-0.242893095 Hartree
91	BD(2)C26(C25) 26s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.974288272	-0.233875013 Hartree
92	BD(1)C25(H34) 25s(29.65%)p2.37(70.27%)d0.00(0.07%)	1.256941856	-0.258184480 Hartree
93	BD(1)H34(C25) 34s(100.00%)	0.736583713	-0.011799566 Hartree
94	BD(1)C26(C27) 26s(34.77%)p1.87(65.16%)d0.00(0.07%)	1.000571304	-0.139329197 Hartree
95	BD(1)C27(C26) 27s(35.14%)p1.84(64.80%)d0.00(0.07%)	0.996024280	-0.137563811 Hartree
96	BD(1)C26(H33) 26s(29.89%)p2.34(70.04%)d0.00(0.07%)	1.260242991	-0.248025130 Hartree
97	BD(1)H33(C26) 33s(100.00%)	0.732894741	0.002386279 Hartree
98	BD(1)C27(C28) 27s(35.14%)p1.84(64.80%)d0.00(0.07%)	0.996043191	-0.137570321 Hartree
99	BD(1)C28(C27) 28s(34.77%)p1.87(65.16%)d0.00(0.07%)	1.000572815	-0.139333492 Hartree
100	BD(2)C27(C28) 27s(0.00%)p1.00(99.94%)d0.00(0.06%)	0.891644732	-0.233821707 Hartree
101	BD(2)C28(C27) 28s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.974307351	-0.234052195 Hartree
102	BD(1)C27(H32) 27s(29.66%)p2.37(70.27%)d0.00(0.07%)	1.259449201	-0.249630145 Hartree
103	BD(1)H32(C27) 32s(100.00%)	0.734662038	0.001078622 Hartree
104	BD(1)C28(C29) 28s(35.28%)p1.83(64.65%)d0.00(0.07%)	0.985961084	-0.127473402 Hartree
105	BD(1)C29(C28) 29s(36.10%)p1.77(63.84%)d0.00(0.06%)	1.008150428	-0.138351369 Hartree
106	BD(1)C28(H31) 28s(29.89%)p2.34(70.04%)d0.00(0.07%)	1.260239526	-0.248032326 Hartree
107	BD(1)H31(C28) 31s(100.00%)	0.732894128	0.002386654 Hartree
108	BD(1)C29(H30) 29s(29.64%)p2.37(70.29%)d0.00(0.07%)	1.256942278	-0.258200220 Hartree
109	BD(1)H30(C29) 30s(100.00%)	0.736584686	-0.011799532 Hartree
110	RY(1)C1 s(0.00%)p1.00(100.00%)	0.745262501	-0.260579512 Hartree
111	RY(2)C1 s(0.00%)p1.00(92.69%)d0.08(7.31%)	0.005055473	0.598828908 Hartree
112	RY(3)C1 s(0.00%)p1.00(92.69%)d0.08(7.31%)	0.003711697	0.997684352 Hartree
113	RY(4)C1 s(0.00%)p1.00(0.02%)d99.99(99.98%)	0.003711697	0.997684352 Hartree
114	RY(5)C1 s(0.00%)p1.00(0.02%)d99.99(99.98%)	0.000746981	1.976452885 Hartree
115	RY(6)C1 s(99.42%)p0.00(0.00%)d0.01(0.58%)	0.000746981	1.976452885 Hartree
116	RY(7)C1 s(99.08%)p0.00(0.00%)d0.01(0.92%)	0.000390778	0.876509570 Hartree
117	RY(8)C1 s(0.00%)p1.00(7.34%)d12.62(92.66%)	0.000067106	4.065549740 Hartree
118	RY(9)C1 s(0.00%)p1.00(7.34%)d12.62(92.66%)	0.000054826	2.046810515 Hartree
119	RY(10)C1 s(1.56%)p0.00(0.00%)d63.18(98.44%)	0.000054826	2.046810515 Hartree
120	RY(1)C2 s(2.69%)p33.54(90.07%)d2.70(7.24%)	0.000017265	2.183341143 Hartree
121	RY(2)C2 s(0.00%)p1.00(96.75%)d0.03(3.25%)	0.004688647	1.179988384 Hartree
122	RY(3)C2 s(0.04%)p99.99(91.20%)d99.99(8.76%)	0.004396869	0.987447419 Hartree
123	RY(4)C2 s(12.11%)p0.06(0.68%)d7.20(87.22%)	0.000850085	0.779145342 Hartree
124	RY(5)C2 s(85.19%)p0.02(2.09%)d0.15(12.72%)	0.000776550	1.688789073 Hartree
125	RY(6)C2 s(0.00%)p1.00(8.16%)d11.26(91.84%)	0.000572024	1.086890828 Hartree
126	RY(7)C2 s(0.00%)p1.00(3.71%)d25.94(96.29%)	0.000292252	1.895366621 Hartree
127	RY(8)C2 s(78.91%)p0.02(1.51%)d0.25(19.59%)	0.000127236	2.096924961 Hartree
128	RY(9)C2 s(20.22%)p0.28(5.74%)d3.66(74.04%)	0.000088118	3.774532305 Hartree
129	RY(10)C2 s(0.92%)p0.21(0.19%)d99.99(98.89%)	0.000019974	2.558295986 Hartree
130	RY(1)C3 s(0.03%)p99.99(93.14%)d99.99(6.83%)	0.000011247	2.166302330 Hartree
131	RY(2)C3 s(0.88%)p99.99(97.08%)d2.32(2.04%)	0.004570201	1.133656332 Hartree
132	RY(3)C3 s(0.02%)p99.99(49.29%)d99.99(50.69%)	0.002178003	0.688030907 Hartree
133	RY(4)C3 s(13.80%)p2.97(40.96%)d3.28(45.24%)	0.000778586	1.167895382 Hartree
134	RY(5)C3 s(77.78%)p0.07(5.25%)d0.22(16.98%)	0.000520553	1.169146732 Hartree
135	RY(6)C3 s(7.74%)p0.35(2.74%)d11.57(89.53%)	0.000214601	1.076107358 Hartree
136	RY(7)C3 s(72.60%)p0.03(1.91%)d0.35(25.49%)	0.000096083	2.190444743 Hartree
137	RY(8)C3 s(2.33%)p1.53(3.57%)d40.40(94.10%)	0.000044678	3.501340331 Hartree
138	RY(9)C3 s(23.98%)p0.20(4.76%)d2.97(71.26%)	0.000030709	1.798533625 Hartree
139	RY(10)C3 s(0.93%)p1.58(1.48%)d99.99(97.59%)	0.000011290	2.512642845 Hartree
140	RY(1)C4 s(0.07%)p99.99(92.99%)d98.35(6.94%)	0.000002619	2.118752104 Hartree
141	RY(2)C4 s(0.28%)p99.99(98.74%)d3.54(0.98%)	0.004905709	1.134406196 Hartree
142	RY(3)C4 s(0.59%)p26.37(15.69%)d99.99(83.72%)	0.002481312	0.594760569 Hartree
143	RY(4)C4 s(0.04%)p99.99(74.98%)d99.99(24.97%)	0.000491322	1.599881067 Hartree
144	RY(5)C4 s(74.70%)p0.00(0.25%)d0.34(25.05%)	0.000348290	0.785361054 Hartree
145	RY(6)C4 s(23.41%)p0.05(1.25%)d3.22(75.34%)	0.000169817	1.242167563 Hartree
146	RY(7)C4 s(97.49%)p0.00(0.10%)d0.02(2.41%)	0.000106027	1.888654842 Hartree
147	RY(8)C4 s(1.00%)p6.61(6.62%)d92.19(92.37%)	0.000045500	4.056141072 Hartree
148	RY(9)C4 s(0.15%)p59.53(9.22%)d99.99(90.63%)	0.000003307	1.992227192 Hartree
149	RY(10)C4 s(2.32%)p0.15(0.34%)d41.89(97.33%)	0.000002154	1.640895533 Hartree
150	RY(1)C5 s(0.30%)p99.99(92.03%)d25.84(7.67%)	0.000000687	2.206422959 Hartree
151	RY(2)C5 s(0.00%)p1.00(98.89%)d0.01(1.11%)	0.004714773	1.147071648 Hartree
152	RY(3)C5 s(0.03%)p12.88(0.38%)d99.99(99.59%)	0.002157892	0.596021274 Hartree
153	RY(4)C5 s(0.00%)p1.00(88.14%)d0.13(11.86%)	0.000637028	1.801236187 Hartree
154	RY(5)C5 s(0.00%)p1.00(1.28%)d77.18(98.72%)	0.000290283	0.601062756 Hartree
155	RY(6)C5 s(97.26%)p0.00(0.11%)d0.03(2.63%)	0.000126888	2.206091174 Hartree
156	RY(7)C5 s(96.71%)p0.00(0.16%)d0.03(3.13%)	0.000106301	0.941557702 Hartree
157	RY(8)C5 s(1.35%)p5.53(7.45%)d67.66(91.20%)	0.000035290	3.983407272 Hartree
158	RY(9)C5 s(4.43%)p0.07(0.30%)d21.51(95.27%)	0.000003067	2.025525846 Hartree
159	RY(10)C5 s(0.00%)p1.00(11.44%)d7.74(88.56%)	0.000000106	2.215170517 Hartree
160	RY(1)C6 s(0.07%)p99.99(92.99%)d97.99(6.94%)	0.000000308	1.558818598 Hartree
161	RY(2)C6 s(0.28%)p99.99(98.75%)d3.54(0.98%)	0.004905204	1.134402678 Hartree
162	RY(3)C6 s(0.55%)p5.01(2.75%)d99.99(96.70%)	0.002480412	0.594676738 Hartree
163	RY(4)C6 s(0.18%)p99.99(87.88%)d68.23(11.94%)	0.000479660	1.774177772 Hartree
164	RY(5)C6 s(74.60%)p0.00(0.28%)d0.34(25.12%)	0.000362580	0.610936321 Hartree
165	RY(6)C6 s(23.43%)p0.05(1.26%)d3.21(75.32%)	0.000169764	1.242785626 Hartree
166	RY(7)C6 s(97.49%)p0.00(0.10%)d0.02(2.41%)	0.000106016	1.888324284 Hartree
167	RY(8)C6 s(1.00%)p6.61(6.62%)d92.20(92.37%)	0.000045499	4.056142510 Hartree
168	RY(9)C6 s(0.15%)p59.45(9.21%)d99.99(90.63%)	0.000003307	1.992304918 Hartree
169	RY(10)C6 s(2.32%)p0.15(0.34%)d41.89(97.33%)	0.000002153	1.640916871 Hartree
170	RY(1)C7 s(0.03%)p99.99(93.14%)d99.99(6.83%)	0.000000687	2.206437715 Hartree
171	RY(2)C7 s(0.86%)p99.99(97.11%)d2.34(2.02%)	0.004570264	1.133637399 Hartree
172	RY(3)C7 s(0.15%)p99.99(46.34%)d99.99(53.51%)	0.002177622	0.687730491 Hartree
173	RY(4)C7 s(16.11%)p2.70(43.45%)d2.51(40.44%)	0.000920689	1.200837800 Hartree
174	RY(5)C7 s(75.30%)p0.07(5.57%)d0.25(19.14%)	0.000496959	1.122041401 Hartree
175	RY(6)C7 s(7.70%)p0.35(2.72%)d11.63(89.57%)	0.000212411	1.093020358 Hartree
176	RY(7)C7 s(72.61%)p0.03(1.90%)d0.35(25.49%)	0.000096094	2.189770259 Hartree
177	RY(8)C7 s(2.30%)p1.60(3.69%)d40.88(94.01%)	0.000044709	3.501597005 Hartree
178	RY(9)C7 s(24.08%)p0.20(4.78%)d2.95(71.14%)	0.000030992	1.792484248 Hartree
179	RY(10)C7 s(0.93%)p1.59(1.48%)d99.99(97.59%)	0.000011313	2.515851105 Hartree
180	RY(1)H8 s(100.00%)	0.000002620	2.118956975 Hartree
181	RY(1)H9 s(100.00%)	0.000849567	0.502277637 Hartree
182	RY(1)H10 s(100.00%)	0.000662691	0.458107014 Hartree
183	RY(1)H11 s(100.00%)	0.000656705	0.457835537 Hartree
184	RY(1)H12 s(100.00%)	0.000662707	0.458107261 Hartree
185	RY(1)C13 s(2.69%)p33.54(90.07%)d2.70(7.24%)	0.000849574	0.502277332 Hartree
186	RY(2)C13 s(0.00%)p1.00(96.75%)d0.03(3.25%)	0.004688647	1.179988384 Hartree
187	RY(3)C13 s(0.04%)p99.99(91.20%)d99.99(8.76%)	0.004396869	0.987447419 Hartree
188	RY(4)C13 s(12.11%)p0.06(0.68%)d7.20(87.22%)	0.000850085	0.779145342 Hartree
189	RY(5)C13 s(85.19%)p0.02(2.09%)d0.15(12.72%)	0.000776550	1.688789074 Hartree
190	RY(6)C13 s(0.00%)p1.00(8.16%)d11.26(91.84%)	0.000572024	1.086890828 Hartree
191	RY(7)C13 s(0.00%)p1.00(3.71%)d25.94(96.29%)	0.000292252	1.895366621 Hartree
192	RY(8)C13 s(78.91%)p0.02(1.51%)d0.25(19.59%)	0.000127236	2.096924961 Hartree
193	RY(9)C13 s(20.22%)p0.28(5.74%)d3.66(74.04%)	0.000088118	3.774532304 Hartree
194	RY(10)C13 s(0.92%)p0.21(0.19%)d99.99(98.89%)	0.000019974	2.558295986 Hartree
195	RY(1)C14 s(0.03%)p99.99(93.14%)d99.99(6.83%)	0.000011247	2.166302330 Hartree
196	RY(2)C14 s(0.88%)p99.99(97.08%)d2.32(2.04%)	0.004570201	1.133656332 Hartree
197	RY(3)C14 s(0.02%)p99.99(49.29%)d99.99(50.69%)	0.002178003	0.688030907 Hartree
198	RY(4)C14 s(13.80%)p2.97(40.96%)d3.28(45.24%)	0.000778586	1.167895382 Hartree
199	RY(5)C14 s(77.78%)p0.07(5.25%)d0.22(16.98%)	0.000520553	1.169146732 Hartree
200	RY(6)C14 s(7.74%)p0.35(2.74%)d11.57(89.53%)	0.000214601	1.076107358 Hartree
201	RY(7)C14 s(72.60%)p0.03(1.91%)d0.35(25.49%)	0.000096083	2.190444744 Hartree
202	RY(8)C14 s(2.33%)p1.53(3.57%)d40.40(94.10%)	0.000044678	3.501340333 Hartree
203	RY(9)C14 s(23.98%)p0.20(4.76%)d2.97(71.26%)	0.000030709	1.798533625 Hartree
204	RY(10)C14 s(0.93%)p1.58(1.48%)d99.99(97.59%)	0.000011290	2.512642842 Hartree
205	RY(1)C15 s(0.07%)p99.99(92.99%)d98.35(6.94%)	0.000002619	2.118752104 Hartree
206	RY(2)C15 s(0.28%)p99.99(98.74%)d3.54(0.98%)	0.004905709	1.134406196 Hartree
207	RY(3)C15 s(0.59%)p26.37(15.69%)d99.99(83.72%)	0.002481312	0.594760569 Hartree
208	RY(4)C15 s(0.04%)p99.99(74.98%)d99.99(24.97%)	0.000491322	1.599881067 Hartree
209	RY(5)C15 s(74.70%)p0.00(0.25%)d0.34(25.05%)	0.000348290	0.785361054 Hartree
210	RY(6)C15 s(23.41%)p0.05(1.25%)d3.22(75.34%)	0.000169817	1.242167562 Hartree
211	RY(7)C15 s(97.49%)p0.00(0.10%)d0.02(2.41%)	0.000106027	1.888654842 Hartree
212	RY(8)C15 s(1.00%)p6.61(6.62%)d92.19(92.37%)	0.000045500	4.056141072 Hartree
213	RY(9)C15 s(0.15%)p59.53(9.22%)d99.99(90.63%)	0.000003307	1.992227190 Hartree
214	RY(10)C15 s(2.32%)p0.15(0.34%)d41.89(97.33%)	0.000002154	1.640895535 Hartree
215	RY(1)C16 s(0.30%)p99.99(92.03%)d25.84(7.67%)	0.000000687	2.206422958 Hartree
216	RY(2)C16 s(0.00%)p1.00(98.89%)d0.01(1.11%)	0.004714773	1.147071648 Hartree
217	RY(3)C16 s(0.03%)p12.88(0.38%)d99.99(99.59%)	0.002157892	0.596021274 Hartree
218	RY(4)C16 s(0.00%)p1.00(88.14%)d0.13(11.86%)	0.000637028	1.801236187 Hartree
219	RY(5)C16 s(0.00%)p1.00(1.28%)d77.18(98.72%)	0.000290283	0.601062756 Hartree
220	RY(6)C16 s(97.26%)p0.00(0.11%)d0.03(2.63%)	0.000126888	2.206091174 Hartree
221	RY(7)C16 s(96.71%)p0.00(0.16%)d0.03(3.13%)	0.000106301	0.941557701 Hartree
222	RY(8)C16 s(1.35%)p5.53(7.45%)d67.66(91.20%)	0.000035290	3.983407272 Hartree
223	RY(9)C16 s(0.00%)p1.00(11.44%)d7.74(88.56%)	0.000003067	2.025525845 Hartree
224	RY(10)C16 s(4.43%)p0.07(0.30%)d21.51(95.27%)	0.000000308	1.558818598 Hartree
225	RY(1)C17 s(0.07%)p99.99(92.99%)d97.99(6.94%)	0.000000106	2.215170518 Hartree
226	RY(2)C17 s(0.28%)p99.99(98.75%)d3.54(0.98%)	0.004905204	1.134402678 Hartree
227	RY(3)C17 s(0.55%)p5.01(2.75%)d99.99(96.70%)	0.002480412	0.594676738 Hartree
228	RY(4)C17 s(0.18%)p99.99(87.88%)d68.23(11.94%)	0.000479660	1.774177772 Hartree
229	RY(5)C17 s(74.60%)p0.00(0.28%)d0.34(25.12%)	0.000362580	0.610936321 Hartree
230	RY(6)C17 s(23.43%)p0.05(1.26%)d3.21(75.32%)	0.000169764	1.242785628 Hartree
231	RY(7)C17 s(97.49%)p0.00(0.10%)d0.02(2.41%)	0.000106016	1.888324283 Hartree
232	RY(8)C17 s(1.00%)p6.61(6.62%)d92.20(92.37%)	0.000045499	4.056142509 Hartree
233	RY(9)C17 s(0.15%)p59.45(9.21%)d99.99(90.63%)	0.000003307	1.992304917 Hartree
234	RY(10)C17 s(2.32%)p0.15(0.34%)d41.89(97.33%)	0.000002153	1.640916873 Hartree
235	RY(1)C18 s(0.03%)p99.99(93.14%)d99.99(6.83%)	0.000000687	2.206437714 Hartree
236	RY(2)C18 s(0.86%)p99.99(97.11%)d2.34(2.02%)	0.004570264	1.133637399 Hartree
237	RY(3)C18 s(0.15%)p99.99(46.34%)d99.99(53.51%)	0.002177622	0.687730491 Hartree
238	RY(4)C18 s(16.11%)p2.70(43.45%)d2.51(40.44%)	0.000920689	1.200837800 Hartree
239	RY(5)C18 s(75.30%)p0.07(5.57%)d0.25(19.14%)	0.000496959	1.122041401 Hartree
240	RY(6)C18 s(7.70%)p0.35(2.72%)d11.63(89.57%)	0.000212411	1.093020358 Hartree
241	RY(7)C18 s(72.61%)p0.03(1.90%)d0.35(25.49%)	0.000096094	2.189770261 Hartree
242	RY(8)C18 s(2.30%)p1.60(3.69%)d40.88(94.01%)	0.000044709	3.501597009 Hartree
243	RY(9)C18 s(24.08%)p0.20(4.78%)d2.95(71.14%)	0.000030992	1.792484248 Hartree
244	RY(10)C18 s(0.93%)p1.59(1.48%)d99.99(97.59%)	0.000011313	2.515851099 Hartree
245	RY(1)H19 s(100.00%)	0.000002620	2.118956976 Hartree
246	RY(1)H20 s(100.00%)	0.000849567	0.502277637 Hartree
247	RY(1)H21 s(100.00%)	0.000662691	0.458107014 Hartree
248	RY(1)H22 s(100.00%)	0.000656705	0.457835537 Hartree
249	RY(1)H23 s(100.00%)	0.000662707	0.458107261 Hartree
250	RY(1)C24 s(2.69%)p33.54(90.07%)d2.70(7.24%)	0.000849574	0.502277332 Hartree
251	RY(2)C24 s(0.00%)p1.00(96.75%)d0.03(3.25%)	0.004688647	1.179988384 Hartree
252	RY(3)C24 s(0.04%)p99.99(91.20%)d99.99(8.76%)	0.004396869	0.987447419 Hartree
253	RY(4)C24 s(12.11%)p0.06(0.68%)d7.20(87.22%)	0.000850085	0.779145342 Hartree
254	RY(5)C24 s(85.19%)p0.02(2.09%)d0.15(12.72%)	0.000776550	1.688789074 Hartree
255	RY(6)C24 s(0.00%)p1.00(8.16%)d11.26(91.84%)	0.000572024	1.086890828 Hartree
256	RY(7)C24 s(0.00%)p1.00(3.71%)d25.94(96.29%)	0.000292252	1.895366621 Hartree
257	RY(8)C24 s(78.91%)p0.02(1.51%)d0.25(19.59%)	0.000127236	2.096924961 Hartree
258	RY(9)C24 s(20.22%)p0.28(5.74%)d3.66(74.04%)	0.000088118	3.774532304 Hartree
259	RY(10)C24 s(0.92%)p0.21(0.19%)d99.99(98.89%)	0.000019974	2.558295987 Hartree
260	RY(1)C25 s(0.03%)p99.99(93.14%)d99.99(6.83%)	0.000011247	2.166302330 Hartree
261	RY(2)C25 s(0.88%)p99.99(97.08%)d2.32(2.04%)	0.004570201	1.133656332 Hartree
262	RY(3)C25 s(0.02%)p99.99(49.29%)d99.99(50.69%)	0.002178003	0.688030907 Hartree
263	RY(4)C25 s(13.80%)p2.97(40.96%)d3.28(45.24%)	0.000778586	1.167895382 Hartree
264	RY(5)C25 s(77.78%)p0.07(5.25%)d0.22(16.98%)	0.000520553	1.169146732 Hartree
265	RY(6)C25 s(7.74%)p0.35(2.74%)d11.57(89.53%)	0.000214601	1.076107358 Hartree
266	RY(7)C25 s(72.60%)p0.03(1.91%)d0.35(25.49%)	0.000096083	2.190444743 Hartree
267	RY(8)C25 s(2.33%)p1.53(3.57%)d40.40(94.10%)	0.000044678	3.501340332 Hartree
268	RY(9)C25 s(23.98%)p0.20(4.76%)d2.97(71.26%)	0.000030709	1.798533625 Hartree
269	RY(10)C25 s(0.93%)p1.58(1.48%)d99.99(97.59%)	0.000011290	2.512642844 Hartree
270	RY(1)C26 s(0.07%)p99.99(92.99%)d98.35(6.94%)	0.000002619	2.118752104 Hartree
271	RY(2)C26 s(0.28%)p99.99(98.74%)d3.54(0.98%)	0.004905709	1.134406196 Hartree
272	RY(3)C26 s(0.59%)p26.37(15.69%)d99.99(83.72%)	0.002481312	0.594760569 Hartree
273	RY(4)C26 s(0.04%)p99.99(74.98%)d99.99(24.97%)	0.000491322	1.599881067 Hartree
274	RY(5)C26 s(74.70%)p0.00(0.25%)d0.34(25.05%)	0.000348290	0.785361054 Hartree
275	RY(6)C26 s(23.41%)p0.05(1.25%)d3.22(75.34%)	0.000169817	1.242167563 Hartree
276	RY(7)C26 s(97.49%)p0.00(0.10%)d0.02(2.41%)	0.000106027	1.888654841 Hartree
277	RY(8)C26 s(1.00%)p6.61(6.62%)d92.19(92.37%)	0.000045500	4.056141072 Hartree
278	RY(9)C26 s(0.15%)p59.53(9.22%)d99.99(90.63%)	0.000003307	1.992227192 Hartree
279	RY(10)C26 s(2.32%)p0.15(0.34%)d41.89(97.33%)	0.000002154	1.640895534 Hartree
280	RY(1)C27 s(0.30%)p99.99(92.03%)d25.84(7.67%)	0.000000687	2.206422958 Hartree
281	RY(2)C27 s(0.00%)p1.00(98.89%)d0.01(1.11%)	0.004714773	1.147071648 Hartree
282	RY(3)C27 s(0.03%)p12.88(0.38%)d99.99(99.59%)	0.002157892	0.596021274 Hartree
283	RY(4)C27 s(0.00%)p1.00(88.14%)d0.13(11.86%)	0.000637028	1.801236187 Hartree
284	RY(5)C27 s(0.00%)p1.00(1.28%)d77.18(98.72%)	0.000290283	0.601062756 Hartree
285	RY(6)C27 s(97.26%)p0.00(0.11%)d0.03(2.63%)	0.000126888	2.206091174 Hartree
286	RY(7)C27 s(96.71%)p0.00(0.16%)d0.03(3.13%)	0.000106301	0.941557702 Hartree
287	RY(8)C27 s(1.35%)p5.53(7.45%)d67.66(91.20%)	0.000035290	3.983407272 Hartree
288	RY(9)C27 s(0.00%)p1.00(11.44%)d7.74(88.56%)	0.000003067	2.025525846 Hartree
289	RY(10)C27 s(4.43%)p0.07(0.30%)d21.51(95.27%)	0.000000308	1.558818598 Hartree
290	RY(1)C28 s(0.07%)p99.99(92.99%)d97.99(6.94%)	0.000000106	2.215170516 Hartree
291	RY(2)C28 s(0.28%)p99.99(98.75%)d3.54(0.98%)	0.004905204	1.134402678 Hartree
292	RY(3)C28 s(0.55%)p5.01(2.75%)d99.99(96.70%)	0.002480412	0.594676738 Hartree
293	RY(4)C28 s(0.18%)p99.99(87.88%)d68.23(11.94%)	0.000479660	1.774177772 Hartree
294	RY(5)C28 s(74.60%)p0.00(0.28%)d0.34(25.12%)	0.000362580	0.610936321 Hartree
295	RY(6)C28 s(23.43%)p0.05(1.26%)d3.21(75.32%)	0.000169764	1.242785627 Hartree
296	RY(7)C28 s(97.49%)p0.00(0.10%)d0.02(2.41%)	0.000106016	1.888324284 Hartree
297	RY(8)C28 s(1.00%)p6.61(6.62%)d92.20(92.37%)	0.000045499	4.056142509 Hartree
298	RY(9)C28 s(0.15%)p59.45(9.21%)d99.99(90.63%)	0.000003307	1.992304918 Hartree
299	RY(10)C28 s(2.32%)p0.15(0.34%)d41.89(97.33%)	0.000002153	1.640916872 Hartree
300	RY(1)C29 s(0.03%)p99.99(93.14%)d99.99(6.83%)	0.000000687	2.206437715 Hartree
301	RY(2)C29 s(0.86%)p99.99(97.11%)d2.34(2.02%)	0.004570264	1.133637399 Hartree
302	RY(3)C29 s(0.15%)p99.99(46.34%)d99.99(53.51%)	0.002177622	0.687730491 Hartree
303	RY(4)C29 s(16.11%)p2.70(43.45%)d2.51(40.44%)	0.000920689	1.200837800 Hartree
304	RY(5)C29 s(75.30%)p0.07(5.57%)d0.25(19.14%)	0.000496959	1.122041401 Hartree
305	RY(6)C29 s(7.70%)p0.35(2.72%)d11.63(89.57%)	0.000212411	1.093020358 Hartree
306	RY(7)C29 s(72.61%)p0.03(1.90%)d0.35(25.49%)	0.000096094	2.189770260 Hartree
307	RY(8)C29 s(2.30%)p1.60(3.69%)d40.88(94.01%)	0.000044709	3.501597005 Hartree
308	RY(9)C29 s(24.08%)p0.20(4.78%)d2.95(71.14%)	0.000030992	1.792484248 Hartree
309	RY(10)C29 s(0.93%)p1.59(1.48%)d99.99(97.59%)	0.000011313	2.515851104 Hartree
310	RY(1)H30 s(100.00%)	0.000002620	2.118956976 Hartree
311	RY(1)H31 s(100.00%)	0.000849567	0.502277637 Hartree
312	RY(1)H32 s(100.00%)	0.000662691	0.458107014 Hartree
313	RY(1)H33 s(100.00%)	0.000656705	0.457835537 Hartree
314	RY(1)H34 s(100.00%)	0.000662707	0.458107261 Hartree
315		0.000849574	0.502277332 Hartree

Natural Bond Orbitals

Display Range		- / 315
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	CR(1)C1	315	1.999996416	-10.398281372 Hartree
2	CR(1)C2	316	1.999995969	-10.351334643 Hartree
3	CR(1)C3	317	1.999996069	-10.339477229 Hartree
4	CR(1)C4	318	1.999996259	-10.326740003 Hartree
5	CR(1)C5	319	1.999996311	-10.336216157 Hartree
6	CR(1)C6	320	1.999996259	-10.326739952 Hartree
7	CR(1)C7	321	1.999996069	-10.339477294 Hartree
8	CR(1)C13	322	1.999995969	-10.351334643 Hartree
9	CR(1)C14	323	1.999996069	-10.339477229 Hartree
10	CR(1)C15	324	1.999996259	-10.326740003 Hartree
11	CR(1)C16	325	1.999996311	-10.336216157 Hartree
12	CR(1)C17	326	1.999996259	-10.326739952 Hartree
13	CR(1)C18	327	1.999996069	-10.339477294 Hartree
14	CR(1)C24	328	1.999995969	-10.351334643 Hartree
15	CR(1)C25	329	1.999996069	-10.339477229 Hartree
16	CR(1)C26	330	1.999996259	-10.326740003 Hartree
17	CR(1)C27	331	1.999996311	-10.336216157 Hartree
18	CR(1)C28	332	1.999996259	-10.326739952 Hartree
19	CR(1)C29	333	1.999996069	-10.339477294 Hartree
20	BD(1)C1-C2	334, 335	1.972546300	-0.729441008 Hartree
21	BD(1)C1-C13	336, 337	1.972546300	-0.729441008 Hartree
22	BD(1)C1-C24	338, 339	1.972546300	-0.729441008 Hartree
23	BD(1)C2-C3	340, 341	1.972670655	-0.720024683 Hartree
24	BD(1)C2-C7	342, 343	1.973013369	-0.719208145 Hartree
25	BD(2)C2-C7	344, 345	1.561767311	-0.383193507 Hartree
26	BD(1)C3-C4	346, 347	1.981395918	-0.726052234 Hartree
27	BD(2)C3-C4	348, 349	1.649438639	-0.381871987 Hartree
28	BD(1)C3-H12	350, 351	1.981546173	-0.621681152 Hartree
29	BD(1)C4-C5	352, 353	1.982524309	-0.718826950 Hartree
30	BD(1)C4-H11	354, 355	1.981661562	-0.610514864 Hartree
31	BD(1)C5-C6	356, 357	1.982532633	-0.718819304 Hartree
32	BD(2)C5-C6	358, 359	1.574108677	-0.373118486 Hartree
33	BD(1)C5-H10	360, 361	1.983260005	-0.613669692 Hartree
34	BD(1)C6-C7	362, 363	1.981373628	-0.726044141 Hartree
35	BD(1)C6-H9	364, 365	1.981631786	-0.610503373 Hartree
36	BD(1)C7-H8	366, 367	1.981511027	-0.621654568 Hartree
37	BD(1)C13-C14	368, 369	1.972670655	-0.720024683 Hartree
38	BD(1)C13-C18	370, 371	1.973013369	-0.719208145 Hartree
39	BD(2)C13-C18	372, 373	1.561767311	-0.383193507 Hartree
40	BD(1)C14-C15	374, 375	1.981395918	-0.726052234 Hartree
41	BD(2)C14-C15	376, 377	1.649438639	-0.381871987 Hartree
42	BD(1)C14-H23	378, 379	1.981546173	-0.621681152 Hartree
43	BD(1)C15-C16	380, 381	1.982524309	-0.718826950 Hartree
44	BD(1)C15-H22	382, 383	1.981661562	-0.610514864 Hartree
45	BD(1)C16-C17	384, 385	1.982532633	-0.718819304 Hartree
46	BD(2)C16-C17	386, 387	1.574108677	-0.373118486 Hartree
47	BD(1)C16-H21	388, 389	1.983260005	-0.613669692 Hartree
48	BD(1)C17-C18	390, 391	1.981373628	-0.726044141 Hartree
49	BD(1)C17-H20	392, 393	1.981631786	-0.610503373 Hartree
50	BD(1)C18-H19	394, 395	1.981511027	-0.621654568 Hartree
51	BD(1)C24-C25	396, 397	1.972670655	-0.720024683 Hartree
52	BD(1)C24-C29	398, 399	1.973013369	-0.719208145 Hartree
53	BD(2)C24-C29	400, 401	1.561767311	-0.383193507 Hartree
54	BD(1)C25-C26	402, 403	1.981395918	-0.726052234 Hartree
55	BD(2)C25-C26	404, 405	1.649438639	-0.381871987 Hartree
56	BD(1)C25-H34	406, 407	1.981546173	-0.621681152 Hartree
57	BD(1)C26-C27	408, 409	1.982524309	-0.718826950 Hartree
58	BD(1)C26-H33	410, 411	1.981661562	-0.610514864 Hartree
59	BD(1)C27-C28	412, 413	1.982532633	-0.718819304 Hartree
60	BD(2)C27-C28	414, 415	1.574108677	-0.373118486 Hartree
61	BD(1)C27-H32	416, 417	1.983260005	-0.613669692 Hartree
62	BD(1)C28-C29	418, 419	1.981373628	-0.726044141 Hartree
63	BD(1)C28-H31	420, 421	1.981631786	-0.610503373 Hartree
64	BD(1)C29-H30	422, 423	1.981511027	-0.621654568 Hartree
65	LV(1)C1	422, 423	0.745262501	-0.260579512 Hartree
66	BD*(1)C1-C2		0.027994665	0.358581248 Hartree
67	BD*(1)C1-C13		0.027994665	0.358581248 Hartree
68	BD*(1)C1-C24		0.027994665	0.358581248 Hartree
69	BD*(1)C2-C3		0.022881845	0.404266407 Hartree
70	BD*(1)C2-C7		0.023330418	0.402573072 Hartree
71	BD*(2)C2-C7		0.413422365	-0.112345597 Hartree
72	BD*(1)C3-C4		0.012724301	0.460233806 Hartree
73	BD*(2)C3-C4		0.257158168	-0.094896122 Hartree
74	BD*(1)C3-H12		0.011979396	0.351697106 Hartree
75	BD*(1)C4-C5		0.014071275	0.441933943 Hartree
76	BD*(1)C4-H11		0.011476170	0.364876014 Hartree
77	BD*(1)C5-C6		0.014083373	0.441915491 Hartree
78	BD*(2)C5-C6		0.291843406	-0.094755417 Hartree
79	BD*(1)C5-H10		0.010851234	0.365118169 Hartree
80	BD*(1)C6-C7		0.012737885	0.460219370 Hartree
81	BD*(1)C6-H9		0.011501869	0.364857700 Hartree
82	BD*(1)C7-H8		0.012015937	0.351654815 Hartree
83	BD*(1)C13-C14		0.022881845	0.404266407 Hartree
84	BD*(1)C13-C18		0.023330418	0.402573072 Hartree
85	BD*(2)C13-C18		0.413422365	-0.112345597 Hartree
86	BD*(1)C14-C15		0.012724301	0.460233806 Hartree
87	BD*(2)C14-C15		0.257158168	-0.094896122 Hartree
88	BD*(1)C14-H23		0.011979396	0.351697106 Hartree
89	BD*(1)C15-C16		0.014071275	0.441933943 Hartree
90	BD*(1)C15-H22		0.011476170	0.364876014 Hartree
91	BD*(1)C16-C17		0.014083373	0.441915491 Hartree
92	BD*(2)C16-C17		0.291843406	-0.094755417 Hartree
93	BD*(1)C16-H21		0.010851234	0.365118169 Hartree
94	BD*(1)C17-C18		0.012737885	0.460219370 Hartree
95	BD*(1)C17-H20		0.011501869	0.364857700 Hartree
96	BD*(1)C18-H19		0.012015937	0.351654815 Hartree
97	BD*(1)C24-C25		0.022881845	0.404266407 Hartree
98	BD*(1)C24-C29		0.023330418	0.402573072 Hartree
99	BD*(2)C24-C29		0.413422365	-0.112345597 Hartree
100	BD*(1)C25-C26		0.012724301	0.460233806 Hartree
101	BD*(2)C25-C26		0.257158168	-0.094896122 Hartree
102	BD*(1)C25-H34		0.011979396	0.351697106 Hartree
103	BD*(1)C26-C27		0.014071275	0.441933943 Hartree
104	BD*(1)C26-H33		0.011476170	0.364876014 Hartree
105	BD*(1)C27-C28		0.014083373	0.441915491 Hartree
106	BD*(2)C27-C28		0.291843406	-0.094755417 Hartree
107	BD*(1)C27-H32		0.010851234	0.365118169 Hartree
108	BD*(1)C28-C29		0.012737885	0.460219370 Hartree
109	BD*(1)C28-H31		0.011501869	0.364857700 Hartree
110	BD*(1)C29-H30		0.012015937	0.351654815 Hartree
111	RY(1)C1	424	0.005055473	0.598828908 Hartree
112	RY(2)C1	425	0.003711697	0.997684352 Hartree
113	RY(3)C1	426	0.003711697	0.997684352 Hartree
114	RY(4)C1	427	0.000746981	1.976452885 Hartree
115	RY(5)C1	428	0.000746981	1.976452885 Hartree
116	RY(6)C1	429	0.000390778	0.876509570 Hartree
117	RY(7)C1	430	0.000067106	4.065549740 Hartree
118	RY(8)C1	431	0.000054826	2.046810515 Hartree
119	RY(9)C1	432	0.000054826	2.046810515 Hartree
120	RY(10)C1	433	0.000017265	2.183341143 Hartree
121	RY(1)C2	434	0.004688647	1.179988384 Hartree
122	RY(2)C2	435	0.004396869	0.987447419 Hartree
123	RY(3)C2	436	0.000850085	0.779145342 Hartree
124	RY(4)C2	437	0.000776550	1.688789073 Hartree
125	RY(5)C2	438	0.000572024	1.086890828 Hartree
126	RY(6)C2	439	0.000292252	1.895366621 Hartree
127	RY(7)C2	440	0.000127236	2.096924961 Hartree
128	RY(8)C2	441	0.000088118	3.774532305 Hartree
129	RY(9)C2	442	0.000019974	2.558295986 Hartree
130	RY(10)C2	443	0.000011247	2.166302330 Hartree
131	RY(1)C3	444	0.004570201	1.133656332 Hartree
132	RY(2)C3	445	0.002178003	0.688030907 Hartree
133	RY(3)C3	446	0.000778586	1.167895382 Hartree
134	RY(4)C3	447	0.000520553	1.169146732 Hartree
135	RY(5)C3	448	0.000214601	1.076107358 Hartree
136	RY(6)C3	449	0.000096083	2.190444743 Hartree
137	RY(7)C3	450	0.000044678	3.501340331 Hartree
138	RY(8)C3	451	0.000030709	1.798533625 Hartree
139	RY(9)C3	452	0.000011290	2.512642845 Hartree
140	RY(10)C3	453	0.000002619	2.118752104 Hartree
141	RY(1)C4	454	0.004905709	1.134406196 Hartree
142	RY(2)C4	455	0.002481312	0.594760569 Hartree
143	RY(3)C4	456	0.000491322	1.599881067 Hartree
144	RY(4)C4	457	0.000348290	0.785361054 Hartree
145	RY(5)C4	458	0.000169817	1.242167563 Hartree
146	RY(6)C4	459	0.000106027	1.888654842 Hartree
147	RY(7)C4	460	0.000045500	4.056141072 Hartree
148	RY(8)C4	461	0.000003307	1.992227192 Hartree
149	RY(9)C4	462	0.000002154	1.640895533 Hartree
150	RY(10)C4	463	0.000000687	2.206422959 Hartree
151	RY(1)C5	464	0.004714773	1.147071648 Hartree
152	RY(2)C5	465	0.002157892	0.596021274 Hartree
153	RY(3)C5	466	0.000637028	1.801236187 Hartree
154	RY(4)C5	467	0.000290283	0.601062756 Hartree
155	RY(5)C5	468	0.000126888	2.206091174 Hartree
156	RY(6)C5	469	0.000106301	0.941557702 Hartree
157	RY(7)C5	470	0.000035290	3.983407272 Hartree
158	RY(8)C5	471	0.000003067	2.025525846 Hartree
159	RY(9)C5	472	0.000000106	2.215170517 Hartree
160	RY(10)C5	473	0.000000308	1.558818598 Hartree
161	RY(1)C6	474	0.004905204	1.134402678 Hartree
162	RY(2)C6	475	0.002480412	0.594676738 Hartree
163	RY(3)C6	476	0.000479660	1.774177772 Hartree
164	RY(4)C6	477	0.000362580	0.610936321 Hartree
165	RY(5)C6	478	0.000169764	1.242785626 Hartree
166	RY(6)C6	479	0.000106016	1.888324284 Hartree
167	RY(7)C6	480	0.000045499	4.056142510 Hartree
168	RY(8)C6	481	0.000003307	1.992304918 Hartree
169	RY(9)C6	482	0.000002153	1.640916871 Hartree
170	RY(10)C6	483	0.000000687	2.206437715 Hartree
171	RY(1)C7	484	0.004570264	1.133637399 Hartree
172	RY(2)C7	485	0.002177622	0.687730491 Hartree
173	RY(3)C7	486	0.000920689	1.200837800 Hartree
174	RY(4)C7	487	0.000496959	1.122041401 Hartree
175	RY(5)C7	488	0.000212411	1.093020358 Hartree
176	RY(6)C7	489	0.000096094	2.189770259 Hartree
177	RY(7)C7	490	0.000044709	3.501597005 Hartree
178	RY(8)C7	491	0.000030992	1.792484248 Hartree
179	RY(9)C7	492	0.000011313	2.515851105 Hartree
180	RY(10)C7	493	0.000002620	2.118956975 Hartree
181	RY(1)H8	494	0.000849567	0.502277637 Hartree
182	RY(1)H9	495	0.000662691	0.458107014 Hartree
183	RY(1)H10	496	0.000656705	0.457835537 Hartree
184	RY(1)H11	497	0.000662707	0.458107261 Hartree
185	RY(1)H12	498	0.000849574	0.502277332 Hartree
186	RY(1)C13	499	0.004688647	1.179988384 Hartree
187	RY(2)C13	500	0.004396869	0.987447419 Hartree
188	RY(3)C13	501	0.000850085	0.779145342 Hartree
189	RY(4)C13	502	0.000776550	1.688789074 Hartree
190	RY(5)C13	503	0.000572024	1.086890828 Hartree
191	RY(6)C13	504	0.000292252	1.895366621 Hartree
192	RY(7)C13	505	0.000127236	2.096924961 Hartree
193	RY(8)C13	506	0.000088118	3.774532304 Hartree
194	RY(9)C13	507	0.000019974	2.558295986 Hartree
195	RY(10)C13	508	0.000011247	2.166302330 Hartree
196	RY(1)C14	509	0.004570201	1.133656332 Hartree
197	RY(2)C14	510	0.002178003	0.688030907 Hartree
198	RY(3)C14	511	0.000778586	1.167895382 Hartree
199	RY(4)C14	512	0.000520553	1.169146732 Hartree
200	RY(5)C14	513	0.000214601	1.076107358 Hartree
201	RY(6)C14	514	0.000096083	2.190444744 Hartree
202	RY(7)C14	515	0.000044678	3.501340333 Hartree
203	RY(8)C14	516	0.000030709	1.798533625 Hartree
204	RY(9)C14	517	0.000011290	2.512642842 Hartree
205	RY(10)C14	518	0.000002619	2.118752104 Hartree
206	RY(1)C15	519	0.004905709	1.134406196 Hartree
207	RY(2)C15	520	0.002481312	0.594760569 Hartree
208	RY(3)C15	521	0.000491322	1.599881067 Hartree
209	RY(4)C15	522	0.000348290	0.785361054 Hartree
210	RY(5)C15	523	0.000169817	1.242167562 Hartree
211	RY(6)C15	524	0.000106027	1.888654842 Hartree
212	RY(7)C15	525	0.000045500	4.056141072 Hartree
213	RY(8)C15	526	0.000003307	1.992227190 Hartree
214	RY(9)C15	527	0.000002154	1.640895535 Hartree
215	RY(10)C15	528	0.000000687	2.206422958 Hartree
216	RY(1)C16	529	0.004714773	1.147071648 Hartree
217	RY(2)C16	530	0.002157892	0.596021274 Hartree
218	RY(3)C16	531	0.000637028	1.801236187 Hartree
219	RY(4)C16	532	0.000290283	0.601062756 Hartree
220	RY(5)C16	533	0.000126888	2.206091174 Hartree
221	RY(6)C16	534	0.000106301	0.941557701 Hartree
222	RY(7)C16	535	0.000035290	3.983407272 Hartree
223	RY(8)C16	536	0.000003067	2.025525845 Hartree
224	RY(9)C16	537	0.000000308	1.558818598 Hartree
225	RY(10)C16	538	0.000000106	2.215170518 Hartree
226	RY(1)C17	539	0.004905204	1.134402678 Hartree
227	RY(2)C17	540	0.002480412	0.594676738 Hartree
228	RY(3)C17	541	0.000479660	1.774177772 Hartree
229	RY(4)C17	542	0.000362580	0.610936321 Hartree
230	RY(5)C17	543	0.000169764	1.242785628 Hartree
231	RY(6)C17	544	0.000106016	1.888324283 Hartree
232	RY(7)C17	545	0.000045499	4.056142509 Hartree
233	RY(8)C17	546	0.000003307	1.992304917 Hartree
234	RY(9)C17	547	0.000002153	1.640916873 Hartree
235	RY(10)C17	548	0.000000687	2.206437714 Hartree
236	RY(1)C18	549	0.004570264	1.133637399 Hartree
237	RY(2)C18	550	0.002177622	0.687730491 Hartree
238	RY(3)C18	551	0.000920689	1.200837800 Hartree
239	RY(4)C18	552	0.000496959	1.122041401 Hartree
240	RY(5)C18	553	0.000212411	1.093020358 Hartree
241	RY(6)C18	554	0.000096094	2.189770261 Hartree
242	RY(7)C18	555	0.000044709	3.501597009 Hartree
243	RY(8)C18	556	0.000030992	1.792484248 Hartree
244	RY(9)C18	557	0.000011313	2.515851099 Hartree
245	RY(10)C18	558	0.000002620	2.118956976 Hartree
246	RY(1)H19	559	0.000849567	0.502277637 Hartree
247	RY(1)H20	560	0.000662691	0.458107014 Hartree
248	RY(1)H21	561	0.000656705	0.457835537 Hartree
249	RY(1)H22	562	0.000662707	0.458107261 Hartree
250	RY(1)H23	563	0.000849574	0.502277332 Hartree
251	RY(1)C24	564	0.004688647	1.179988384 Hartree
252	RY(2)C24	565	0.004396869	0.987447419 Hartree
253	RY(3)C24	566	0.000850085	0.779145342 Hartree
254	RY(4)C24	567	0.000776550	1.688789074 Hartree
255	RY(5)C24	568	0.000572024	1.086890828 Hartree
256	RY(6)C24	569	0.000292252	1.895366621 Hartree
257	RY(7)C24	570	0.000127236	2.096924961 Hartree
258	RY(8)C24	571	0.000088118	3.774532304 Hartree
259	RY(9)C24	572	0.000019974	2.558295987 Hartree
260	RY(10)C24	573	0.000011247	2.166302330 Hartree
261	RY(1)C25	574	0.004570201	1.133656332 Hartree
262	RY(2)C25	575	0.002178003	0.688030907 Hartree
263	RY(3)C25	576	0.000778586	1.167895382 Hartree
264	RY(4)C25	577	0.000520553	1.169146732 Hartree
265	RY(5)C25	578	0.000214601	1.076107358 Hartree
266	RY(6)C25	579	0.000096083	2.190444743 Hartree
267	RY(7)C25	580	0.000044678	3.501340332 Hartree
268	RY(8)C25	581	0.000030709	1.798533625 Hartree
269	RY(9)C25	582	0.000011290	2.512642844 Hartree
270	RY(10)C25	583	0.000002619	2.118752104 Hartree
271	RY(1)C26	584	0.004905709	1.134406196 Hartree
272	RY(2)C26	585	0.002481312	0.594760569 Hartree
273	RY(3)C26	586	0.000491322	1.599881067 Hartree
274	RY(4)C26	587	0.000348290	0.785361054 Hartree
275	RY(5)C26	588	0.000169817	1.242167563 Hartree
276	RY(6)C26	589	0.000106027	1.888654841 Hartree
277	RY(7)C26	590	0.000045500	4.056141072 Hartree
278	RY(8)C26	591	0.000003307	1.992227192 Hartree
279	RY(9)C26	592	0.000002154	1.640895534 Hartree
280	RY(10)C26	593	0.000000687	2.206422958 Hartree
281	RY(1)C27	594	0.004714773	1.147071648 Hartree
282	RY(2)C27	595	0.002157892	0.596021274 Hartree
283	RY(3)C27	596	0.000637028	1.801236187 Hartree
284	RY(4)C27	597	0.000290283	0.601062756 Hartree
285	RY(5)C27	598	0.000126888	2.206091174 Hartree
286	RY(6)C27	599	0.000106301	0.941557702 Hartree
287	RY(7)C27	600	0.000035290	3.983407272 Hartree
288	RY(8)C27	601	0.000003067	2.025525846 Hartree
289	RY(9)C27	602	0.000000308	1.558818598 Hartree
290	RY(10)C27	603	0.000000106	2.215170516 Hartree
291	RY(1)C28	604	0.004905204	1.134402678 Hartree
292	RY(2)C28	605	0.002480412	0.594676738 Hartree
293	RY(3)C28	606	0.000479660	1.774177772 Hartree
294	RY(4)C28	607	0.000362580	0.610936321 Hartree
295	RY(5)C28	608	0.000169764	1.242785627 Hartree
296	RY(6)C28	609	0.000106016	1.888324284 Hartree
297	RY(7)C28	610	0.000045499	4.056142509 Hartree
298	RY(8)C28	611	0.000003307	1.992304918 Hartree
299	RY(9)C28	612	0.000002153	1.640916872 Hartree
300	RY(10)C28	613	0.000000687	2.206437715 Hartree
301	RY(1)C29	614	0.004570264	1.133637399 Hartree
302	RY(2)C29	615	0.002177622	0.687730491 Hartree
303	RY(3)C29	616	0.000920689	1.200837800 Hartree
304	RY(4)C29	617	0.000496959	1.122041401 Hartree
305	RY(5)C29	618	0.000212411	1.093020358 Hartree
306	RY(6)C29	619	0.000096094	2.189770260 Hartree
307	RY(7)C29	620	0.000044709	3.501597005 Hartree
308	RY(8)C29	621	0.000030992	1.792484248 Hartree
309	RY(9)C29	622	0.000011313	2.515851104 Hartree
310	RY(10)C29	623	0.000002620	2.118956976 Hartree
311	RY(1)H30	624	0.000849567	0.502277637 Hartree
312	RY(1)H31	625	0.000662691	0.458107014 Hartree
313	RY(1)H32	626	0.000656705	0.457835537 Hartree
314	RY(1)H33	627	0.000662707	0.458107261 Hartree
315	RY(1)H34	628	0.000849574	0.502277332 Hartree

Quote

WOMEN HOLD UP HALF THE SKY. -- MAO TSE TUNG

WebMO Job Summary

473911: C19H15(+1) trityl D3, Natural Bond Orbitals 6.0/NRT - Gaussian

Calculated Quantities

Overview

Rotational Constants

Molecular Orbitals

Natural Population Analysis

Natural Atomic Orbitals

Natural Hybrid Orbitals

Natural Bond Orbitals

Quote