WebMO Job Summary

Overview

Quantity	Value
Route	#N B3LYP/6-31G(d) SP GFINPUT POP=(FULL,NBO6Read) Geom=Connectivity
Stoichiometry	C₁₉H₁₅(1+)
Symmetry	C3H
Basis	6-31G(d)
RB3LYP Energy	-732.700463336 Hartree
Dipole Moment	0.0000 Debye
Server	batch (485329)
CPU time	45022.1 sec

Rotational Constants

Constant	Frequency (GHz)	Frequency (cm^-1)
a	0.3708263	0.01236943392
b	0.3708263	0.01236943392
c	0.1854132	0.00618471863

Molecular Orbitals

Display Range		- / 315
Orbital	Symmetry	Occupancy	Energy	Actions
1	A'	2	-10.44032 Hartree
2	E'	2	-10.37200 Hartree
3	E'	2	-10.37200 Hartree
4	A'	2	-10.37200 Hartree
5	A'	2	-10.33606 Hartree
6	E'	2	-10.33605 Hartree
7	E'	2	-10.33605 Hartree
8	E'	2	-10.33605 Hartree
9	E'	2	-10.33605 Hartree
10	A'	2	-10.33605 Hartree
11	E'	2	-10.33512 Hartree
12	E'	2	-10.33512 Hartree
13	A'	2	-10.33512 Hartree
14	A'	2	-10.32404 Hartree
15	E'	2	-10.32404 Hartree
16	E'	2	-10.32404 Hartree
17	E'	2	-10.32402 Hartree
18	E'	2	-10.32402 Hartree
19	A'	2	-10.32402 Hartree
20	A'	2	-1.01171 Hartree
21	E'	2	-0.99307 Hartree
22	E'	2	-0.99307 Hartree
23	A'	2	-0.94061 Hartree
24	E'	2	-0.89716 Hartree
25	E'	2	-0.89716 Hartree
26	E'	2	-0.88246 Hartree
27	E'	2	-0.88246 Hartree
28	A'	2	-0.87893 Hartree
29	A'	2	-0.82965 Hartree
30	E'	2	-0.75367 Hartree
31	E'	2	-0.75367 Hartree
32	E'	2	-0.75105 Hartree
33	E'	2	-0.75105 Hartree
34	A'	2	-0.72306 Hartree
35	A'	2	-0.71812 Hartree
36	A'	2	-0.66403 Hartree
37	E'	2	-0.65415 Hartree
38	E'	2	-0.65415 Hartree
39	E'	2	-0.61508 Hartree
40	E'	2	-0.61508 Hartree
41	A'	2	-0.59227 Hartree
42	E'	2	-0.59046 Hartree
43	E'	2	-0.59046 Hartree
44	A'	2	-0.57671 Hartree
45	E'	2	-0.56410 Hartree
46	E'	2	-0.56410 Hartree
47	E'	2	-0.54079 Hartree
48	E'	2	-0.54079 Hartree
49	A"	2	-0.53085 Hartree
50	A'	2	-0.53036 Hartree
51	A'	2	-0.51417 Hartree
52	E"	2	-0.50144 Hartree
53	E"	2	-0.50144 Hartree
54	E'	2	-0.49917 Hartree
55	E'	2	-0.49917 Hartree
56	E'	2	-0.46087 Hartree
57	E'	2	-0.46087 Hartree
58	A"	2	-0.44776 Hartree
59	A'	2	-0.44617 Hartree
60	E"	2	-0.39273 Hartree
61	E"	2	-0.39273 Hartree
62	E"	2	-0.38569 Hartree
63	E"	2	-0.38569 Hartree
64	A"	2	-0.38377 Hartree
65	A"	0	-0.27635 Hartree
66	E"	0	-0.15126 Hartree
67	E"	0	-0.15126 Hartree
68	E"	0	-0.13730 Hartree
69	E"	0	-0.13730 Hartree
70	A"	0	-0.12182 Hartree
71	A"	0	-0.08742 Hartree
72	A'	0	-0.06582 Hartree
73	E'	0	-0.02265 Hartree
74	E'	0	-0.02265 Hartree
75	E'	0	0.00544 Hartree
76	E'	0	0.00544 Hartree
77	A'	0	0.01409 Hartree
78	E"	0	0.02071 Hartree
79	E"	0	0.02071 Hartree
80	E'	0	0.03337 Hartree
81	E'	0	0.03337 Hartree
82	A"	0	0.04173 Hartree
83	A'	0	0.04615 Hartree
84	A'	0	0.05447 Hartree
85	E'	0	0.06440 Hartree
86	E'	0	0.06440 Hartree
87	A'	0	0.07914 Hartree
88	E'	0	0.08645 Hartree
89	E'	0	0.08645 Hartree
90	E'	0	0.14836 Hartree
91	E'	0	0.14836 Hartree
92	E'	0	0.15636 Hartree
93	E'	0	0.15636 Hartree
94	A'	0	0.15641 Hartree
95	A'	0	0.16960 Hartree
96	E'	0	0.19333 Hartree
97	E'	0	0.19333 Hartree
98	A'	0	0.19496 Hartree
99	A'	0	0.20730 Hartree
100	E'	0	0.23476 Hartree
101	E'	0	0.23476 Hartree
102	A'	0	0.28423 Hartree
103	E'	0	0.30225 Hartree
104	E'	0	0.30225 Hartree
105	A"	0	0.35353 Hartree
106	E'	0	0.35618 Hartree
107	E'	0	0.35618 Hartree
108	A'	0	0.38679 Hartree
109	E"	0	0.38840 Hartree
110	E"	0	0.38840 Hartree
111	E'	0	0.40676 Hartree
112	E'	0	0.40676 Hartree
113	A'	0	0.40782 Hartree
114	A'	0	0.42255 Hartree
115	A"	0	0.42357 Hartree
116	E'	0	0.42754 Hartree
117	E'	0	0.42754 Hartree
118	A'	0	0.43061 Hartree
119	E"	0	0.43398 Hartree
120	E"	0	0.43398 Hartree
121	E'	0	0.45255 Hartree
122	E'	0	0.45255 Hartree
123	E'	0	0.45644 Hartree
124	E'	0	0.45644 Hartree
125	A'	0	0.46689 Hartree
126	A'	0	0.47083 Hartree
127	E'	0	0.47800 Hartree
128	E'	0	0.47800 Hartree
129	A"	0	0.48032 Hartree
130	A'	0	0.48255 Hartree
131	E'	0	0.48928 Hartree
132	E'	0	0.48928 Hartree
133	E"	0	0.48979 Hartree
134	E"	0	0.48979 Hartree
135	A"	0	0.50533 Hartree
136	E"	0	0.52787 Hartree
137	E"	0	0.52787 Hartree
138	E'	0	0.55991 Hartree
139	E'	0	0.55991 Hartree
140	A'	0	0.56719 Hartree
141	E"	0	0.57134 Hartree
142	E"	0	0.57134 Hartree
143	A"	0	0.58703 Hartree
144	A"	0	0.60951 Hartree
145	E"	0	0.66326 Hartree
146	E"	0	0.66326 Hartree
147	A"	0	0.68339 Hartree
148	A'	0	0.68470 Hartree
149	E'	0	0.70456 Hartree
150	E'	0	0.70456 Hartree
151	A'	0	0.71668 Hartree
152	E'	0	0.71699 Hartree
153	E'	0	0.71699 Hartree
154	A'	0	0.72227 Hartree
155	E'	0	0.72288 Hartree
156	E'	0	0.72288 Hartree
157	E'	0	0.76971 Hartree
158	E'	0	0.76971 Hartree
159	E'	0	0.77666 Hartree
160	E'	0	0.77666 Hartree
161	A'	0	0.78052 Hartree
162	A'	0	0.80126 Hartree
163	E'	0	0.80645 Hartree
164	E'	0	0.80645 Hartree
165	A'	0	0.81086 Hartree
166	A'	0	0.81835 Hartree
167	A'	0	0.86868 Hartree
168	E'	0	0.86935 Hartree
169	E'	0	0.86935 Hartree
170	A'	0	0.93796 Hartree
171	E'	0	0.94182 Hartree
172	E'	0	0.94182 Hartree
173	E'	0	0.95636 Hartree
174	E'	0	0.95636 Hartree
175	A'	0	0.96618 Hartree
176	E'	0	1.02186 Hartree
177	E'	0	1.02186 Hartree
178	E'	0	1.02497 Hartree
179	E'	0	1.02497 Hartree
180	E'	0	1.05475 Hartree
181	E'	0	1.05475 Hartree
182	A'	0	1.06899 Hartree
183	A'	0	1.08028 Hartree
184	E"	0	1.10845 Hartree
185	E"	0	1.10845 Hartree
186	E'	0	1.11375 Hartree
187	E'	0	1.11375 Hartree
188	A"	0	1.11434 Hartree
189	A'	0	1.13216 Hartree
190	E"	0	1.13782 Hartree
191	E"	0	1.13782 Hartree
192	A'	0	1.21280 Hartree
193	E'	0	1.21764 Hartree
194	E'	0	1.21764 Hartree
195	A"	0	1.28420 Hartree
196	E"	0	1.28556 Hartree
197	E"	0	1.28556 Hartree
198	A'	0	1.28837 Hartree
199	E'	0	1.31949 Hartree
200	E'	0	1.31949 Hartree
201	A"	0	1.34708 Hartree
202	E"	0	1.35157 Hartree
203	E"	0	1.35157 Hartree
204	A"	0	1.35528 Hartree
205	E"	0	1.35644 Hartree
206	E"	0	1.35644 Hartree
207	E'	0	1.36884 Hartree
208	E'	0	1.36884 Hartree
209	A"	0	1.38838 Hartree
210	E"	0	1.38977 Hartree
211	E"	0	1.38977 Hartree
212	A'	0	1.39120 Hartree
213	A'	0	1.43152 Hartree
214	A"	0	1.50887 Hartree
215	E'	0	1.50921 Hartree
216	E'	0	1.50921 Hartree
217	E'	0	1.55091 Hartree
218	E'	0	1.55091 Hartree
219	A'	0	1.55535 Hartree
220	A'	0	1.64490 Hartree
221	E'	0	1.66758 Hartree
222	E'	0	1.66758 Hartree
223	A'	0	1.70898 Hartree
224	E'	0	1.70914 Hartree
225	E'	0	1.70914 Hartree
226	E"	0	1.72674 Hartree
227	E"	0	1.72674 Hartree
228	A'	0	1.74305 Hartree
229	E'	0	1.78316 Hartree
230	E'	0	1.78316 Hartree
231	A'	0	1.80283 Hartree
232	E'	0	1.85218 Hartree
233	E'	0	1.85218 Hartree
234	A'	0	1.87182 Hartree
235	E'	0	1.88170 Hartree
236	E'	0	1.88170 Hartree
237	A'	0	1.89738 Hartree
238	E'	0	1.93141 Hartree
239	E'	0	1.93141 Hartree
240	E"	0	1.96464 Hartree
241	E"	0	1.96464 Hartree
242	A"	0	1.96474 Hartree
243	A'	0	1.98762 Hartree
244	E'	0	2.01150 Hartree
245	E'	0	2.01150 Hartree
246	A"	0	2.01563 Hartree
247	A'	0	2.02419 Hartree
248	E'	0	2.03790 Hartree
249	E'	0	2.03790 Hartree
250	E'	0	2.08013 Hartree
251	E'	0	2.08013 Hartree
252	E"	0	2.08304 Hartree
253	E"	0	2.08304 Hartree
254	A'	0	2.10101 Hartree
255	A"	0	2.10859 Hartree
256	E"	0	2.12362 Hartree
257	E"	0	2.12362 Hartree
258	A"	0	2.15044 Hartree
259	E"	0	2.17007 Hartree
260	E"	0	2.17007 Hartree
261	A"	0	2.22352 Hartree
262	A'	0	2.24209 Hartree
263	E"	0	2.29014 Hartree
264	E"	0	2.29014 Hartree
265	E'	0	2.30397 Hartree
266	E'	0	2.30397 Hartree
267	E'	0	2.43721 Hartree
268	E'	0	2.43721 Hartree
269	A'	0	2.45492 Hartree
270	A'	0	2.46215 Hartree
271	A"	0	2.49491 Hartree
272	E"	0	2.50167 Hartree
273	E"	0	2.50167 Hartree
274	E'	0	2.51983 Hartree
275	E'	0	2.51983 Hartree
276	A'	0	2.53438 Hartree
277	A'	0	2.53947 Hartree
278	E'	0	2.55518 Hartree
279	E'	0	2.55518 Hartree
280	E'	0	2.62067 Hartree
281	E'	0	2.62067 Hartree
282	E'	0	2.64427 Hartree
283	E'	0	2.64427 Hartree
284	A'	0	2.64559 Hartree
285	E'	0	2.68533 Hartree
286	E'	0	2.68533 Hartree
287	A'	0	2.75772 Hartree
288	A'	0	2.78733 Hartree
289	E'	0	2.80902 Hartree
290	E'	0	2.80902 Hartree
291	A'	0	2.95927 Hartree
292	E'	0	3.00200 Hartree
293	E'	0	3.00200 Hartree
294	A'	0	3.22020 Hartree
295	E'	0	3.26512 Hartree
296	E'	0	3.26512 Hartree
297	A'	0	3.81533 Hartree
298	E'	0	3.94861 Hartree
299	E'	0	3.94861 Hartree
300	A'	0	3.96272 Hartree
301	E'	0	3.98209 Hartree
302	E'	0	3.98209 Hartree
303	A'	0	4.00270 Hartree
304	E'	0	4.00919 Hartree
305	E'	0	4.00919 Hartree
306	A'	0	4.06582 Hartree
307	E'	0	4.20743 Hartree
308	E'	0	4.20743 Hartree
309	E'	0	4.21449 Hartree
310	E'	0	4.21449 Hartree
311	A'	0	4.21990 Hartree
312	A'	0	4.32061 Hartree
313	E'	0	4.52060 Hartree
314	E'	0	4.52060 Hartree
315	A'	0	4.61356 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom	Symbol	Charge
1	C	0.23203
2	C	-0.10471
3	C	-0.13501
4	C	-0.23351
5	C	-0.13235
6	C	-0.23351
7	C	-0.13501
8	H	0.22036
9	H	0.26230
10	H	0.26476
11	H	0.26230
12	H	0.22036
13	C	-0.10471
14	C	-0.13501
15	C	-0.23351
16	C	-0.13235
17	C	-0.23351
18	C	-0.13501
19	H	0.22036
20	H	0.26230
21	H	0.26476
22	H	0.26230
23	H	0.22036
24	C	-0.10471
25	C	-0.13501
26	C	-0.23351
27	C	-0.13235
28	C	-0.23351
29	C	-0.13501
30	H	0.22036
31	H	0.26230
32	H	0.26476
33	H	0.26230
34	H	0.22036

Natural Atomic Orbitals

Display Range		- / 315
Orbital	Description	Occupancy	Energy	Actions
1	C1 Cor(1s)	1.999996419	-10.440286847 Hartree
2	C1 Val(2s)	0.957368162	-0.322701140 Hartree
3	C1 Ryd(3s)	0.000092427	1.019777083 Hartree
4	C1 Ryd(4s)	0.000012418	3.981511899 Hartree
5	C1 Val(2p)	1.031799517	-0.192157140 Hartree
6	C1 Ryd(3p)	0.004086254	1.073723071 Hartree
7	C1 Val(2p)	1.031799517	-0.192157140 Hartree
8	C1 Ryd(3p)	0.004086254	1.073723071 Hartree
9	C1 Val(2p)	0.735043134	-0.279105919 Hartree
10	C1 Ryd(3p)	0.000306940	0.542588831 Hartree
11	C1 Ryd(3d)	0.000865782	2.275306267 Hartree
12	C1 Ryd(3d)	0.000590531	1.693043917 Hartree
13	C1 Ryd(3d)	0.000590531	1.693043917 Hartree
14	C1 Ryd(3d)	0.000865782	2.275306267 Hartree
15	C1 Ryd(3d)	0.000471117	2.159105091 Hartree
16	C2 Cor(1s)	1.999996522	-10.371969718 Hartree
17	C2 Val(2s)	0.900834713	-0.242225964 Hartree
18	C2 Ryd(3s)	0.000218568	0.939017900 Hartree
19	C2 Ryd(4s)	0.000052531	4.112369480 Hartree
20	C2 Val(2p)	1.051994282	-0.170128038 Hartree
21	C2 Ryd(3p)	0.003858696	1.130811870 Hartree
22	C2 Val(2p)	1.088583694	-0.176081926 Hartree
23	C2 Ryd(3p)	0.005488535	0.983515301 Hartree
24	C2 Val(2p)	1.050291714	-0.259821061 Hartree
25	C2 Ryd(3p)	0.000375784	0.557157945 Hartree
26	C2 Ryd(3d)	0.000790212	2.411781937 Hartree
27	C2 Ryd(3d)	0.000310548	1.745951928 Hartree
28	C2 Ryd(3d)	0.000514993	1.748889423 Hartree
29	C2 Ryd(3d)	0.000870062	2.220324655 Hartree
30	C2 Ryd(3d)	0.000526193	2.202347692 Hartree
31	C3 Cor(1s)	1.999996380	-10.336015688 Hartree
32	C3 Val(2s)	0.951045791	-0.221592319 Hartree
33	C3 Ryd(3s)	0.000500388	0.978868007 Hartree
34	C3 Ryd(4s)	0.000069340	4.057898679 Hartree
35	C3 Val(2p)	1.086269752	-0.146385475 Hartree
36	C3 Ryd(3p)	0.002902638	0.817042899 Hartree
37	C3 Val(2p)	1.154598391	-0.155168606 Hartree
38	C3 Ryd(3p)	0.004211583	1.074433344 Hartree
39	C3 Val(2p)	0.931622581	-0.244443213 Hartree
40	C3 Ryd(3p)	0.000362940	0.502039830 Hartree
41	C3 Ryd(3d)	0.000904628	2.245056219 Hartree
42	C3 Ryd(3d)	0.000561003	1.774617681 Hartree
43	C3 Ryd(3d)	0.000289364	1.654808413 Hartree
44	C3 Ryd(3d)	0.000954244	2.326335982 Hartree
45	C3 Ryd(3d)	0.000718215	2.109470783 Hartree
46	C4 Cor(1s)	1.999996272	-10.324017917 Hartree
47	C4 Val(2s)	0.972755961	-0.224463772 Hartree
48	C4 Ryd(3s)	0.000720967	1.115945749 Hartree
49	C4 Ryd(4s)	0.000055951	3.908237910 Hartree
50	C4 Val(2p)	1.083406214	-0.134417713 Hartree
51	C4 Ryd(3p)	0.004290000	0.662304881 Hartree
52	C4 Val(2p)	1.179620391	-0.165825618 Hartree
53	C4 Ryd(3p)	0.005403424	0.918916681 Hartree
54	C4 Val(2p)	0.983319426	-0.233299179 Hartree
55	C4 Ryd(3p)	0.000435874	0.498740523 Hartree
56	C4 Ryd(3d)	0.001010983	2.264734852 Hartree
57	C4 Ryd(3d)	0.000420326	1.784963179 Hartree
58	C4 Ryd(3d)	0.000410008	1.696772507 Hartree
59	C4 Ryd(3d)	0.000926088	2.259683276 Hartree
60	C4 Ryd(3d)	0.000734101	2.129023498 Hartree
61	C5 Cor(1s)	1.999996265	-10.335080459 Hartree
62	C5 Val(2s)	0.984098181	-0.231053761 Hartree
63	C5 Ryd(3s)	0.000432184	1.282118963 Hartree
64	C5 Ryd(4s)	0.000039126	3.721515158 Hartree
65	C5 Val(2p)	1.213456621	-0.173413762 Hartree
66	C5 Ryd(3p)	0.005245552	1.000052376 Hartree
67	C5 Val(2p)	1.054030386	-0.127452139 Hartree
68	C5 Ryd(3p)	0.004182178	0.554648551 Hartree
69	C5 Val(2p)	0.866778222	-0.231383921 Hartree
70	C5 Ryd(3p)	0.000375335	0.491576367 Hartree
71	C5 Ryd(3d)	0.000901685	2.267564091 Hartree
72	C5 Ryd(3d)	0.000479301	1.669702306 Hartree
73	C5 Ryd(3d)	0.000520218	1.801456278 Hartree
74	C5 Ryd(3d)	0.001077383	2.201140911 Hartree
75	C5 Ryd(3d)	0.000740025	2.120186489 Hartree
76	C6 Cor(1s)	1.999996272	-10.324017972 Hartree
77	C6 Val(2s)	0.972755921	-0.224463732 Hartree
78	C6 Ryd(3s)	0.000720952	1.115950159 Hartree
79	C6 Ryd(4s)	0.000055952	3.908233649 Hartree
80	C6 Val(2p)	1.083406352	-0.134417725 Hartree
81	C6 Ryd(3p)	0.004290001	0.662304856 Hartree
82	C6 Val(2p)	1.179620547	-0.165825719 Hartree
83	C6 Ryd(3p)	0.005403434	0.918916361 Hartree
84	C6 Val(2p)	0.983319600	-0.233299258 Hartree
85	C6 Ryd(3p)	0.000435874	0.498740211 Hartree
86	C6 Ryd(3d)	0.001010986	2.264734985 Hartree
87	C6 Ryd(3d)	0.000420325	1.784963161 Hartree
88	C6 Ryd(3d)	0.000410012	1.696772578 Hartree
89	C6 Ryd(3d)	0.000926093	2.259683421 Hartree
90	C6 Ryd(3d)	0.000734101	2.129023680 Hartree
91	C7 Cor(1s)	1.999996380	-10.336015676 Hartree
92	C7 Val(2s)	0.951045842	-0.221592233 Hartree
93	C7 Ryd(3s)	0.000500389	0.978868217 Hartree
94	C7 Ryd(4s)	0.000069339	4.057897884 Hartree
95	C7 Val(2p)	1.086269231	-0.146385106 Hartree
96	C7 Ryd(3p)	0.002902682	0.817042408 Hartree
97	C7 Val(2p)	1.154598191	-0.155168550 Hartree
98	C7 Ryd(3p)	0.004211580	1.074433114 Hartree
99	C7 Val(2p)	0.931622861	-0.244443254 Hartree
100	C7 Ryd(3p)	0.000362946	0.502037976 Hartree
101	C7 Ryd(3d)	0.000904625	2.245055994 Hartree
102	C7 Ryd(3d)	0.000561002	1.774617658 Hartree
103	C7 Ryd(3d)	0.000289362	1.654808412 Hartree
104	C7 Ryd(3d)	0.000954238	2.326335855 Hartree
105	C7 Ryd(3d)	0.000718216	2.109470541 Hartree
106	H8 Val(1s)	0.777851171	0.032136658 Hartree
107	H8 Ryd(2s)	0.001790901	0.675659013 Hartree
108	H9 Val(1s)	0.736968755	-0.000901711 Hartree
109	H9 Ryd(2s)	0.000732021	0.460631913 Hartree
110	H10 Val(1s)	0.734595771	-0.001419313 Hartree
111	H10 Ryd(2s)	0.000640846	0.451399823 Hartree
112	H11 Val(1s)	0.736968883	-0.000901751 Hartree
113	H11 Ryd(2s)	0.000732019	0.460632114 Hartree
114	H12 Val(1s)	0.777850891	0.032136727 Hartree
115	H12 Ryd(2s)	0.001790902	0.675659070 Hartree
116	C13 Cor(1s)	1.999996522	-10.371969718 Hartree
117	C13 Val(2s)	0.900834713	-0.242225964 Hartree
118	C13 Ryd(3s)	0.000218568	0.939017900 Hartree
119	C13 Ryd(4s)	0.000052531	4.112369480 Hartree
120	C13 Val(2p)	1.079436304	-0.174593485 Hartree
121	C13 Ryd(3p)	0.005081105	1.020340830 Hartree
122	C13 Val(2p)	1.061141672	-0.171616478 Hartree
123	C13 Ryd(3p)	0.004266126	1.093986341 Hartree
124	C13 Val(2p)	1.050291714	-0.259821061 Hartree
125	C13 Ryd(3p)	0.000375784	0.557157945 Hartree
126	C13 Ryd(3d)	0.000850101	2.268188700 Hartree
127	C13 Ryd(3d)	0.000463883	1.748155043 Hartree
128	C13 Ryd(3d)	0.000361659	1.746686308 Hartree
129	C13 Ryd(3d)	0.000810173	2.363917891 Hartree
130	C13 Ryd(3d)	0.000526193	2.202347692 Hartree
131	C14 Cor(1s)	1.999996380	-10.336015676 Hartree
132	C14 Val(2s)	0.951045842	-0.221592233 Hartree
133	C14 Ryd(3s)	0.000500389	0.978868217 Hartree
134	C14 Ryd(4s)	0.000069339	4.057897884 Hartree
135	C14 Val(2p)	1.183998937	-0.171006942 Hartree
136	C14 Ryd(3p)	0.004623514	1.052878957 Hartree
137	C14 Val(2p)	1.056868485	-0.130546714 Hartree
138	C14 Ryd(3p)	0.002490749	0.838596564 Hartree
139	C14 Val(2p)	0.931622861	-0.244443254 Hartree
140	C14 Ryd(3p)	0.000362946	0.502037976 Hartree
141	C14 Ryd(3d)	0.000760297	2.296013201 Hartree
142	C14 Ryd(3d)	0.000257395	1.632085191 Hartree
143	C14 Ryd(3d)	0.000592970	1.797340879 Hartree
144	C14 Ryd(3d)	0.001098567	2.275378647 Hartree
145	C14 Ryd(3d)	0.000718216	2.109470541 Hartree
146	C15 Cor(1s)	1.999996272	-10.324017972 Hartree
147	C15 Val(2s)	0.972755921	-0.224463732 Hartree
148	C15 Ryd(3s)	0.000720952	1.115950158 Hartree
149	C15 Ryd(4s)	0.000055952	3.908233650 Hartree
150	C15 Val(2p)	1.099188067	-0.138856417 Hartree
151	C15 Ryd(3p)	0.004566015	0.711835311 Hartree
152	C15 Val(2p)	1.163838833	-0.161387027 Hartree
153	C15 Ryd(3p)	0.005127420	0.869385905 Hartree
154	C15 Val(2p)	0.983319600	-0.233299258 Hartree
155	C15 Ryd(3p)	0.000435874	0.498740211 Hartree
156	C15 Ryd(3d)	0.001003622	2.252023111 Hartree
157	C15 Ryd(3d)	0.000423365	1.775601109 Hartree
158	C15 Ryd(3d)	0.000406972	1.706134631 Hartree
159	C15 Ryd(3d)	0.000933458	2.272395296 Hartree
160	C15 Ryd(3d)	0.000734101	2.129023680 Hartree
161	C16 Cor(1s)	1.999996265	-10.335080459 Hartree
162	C16 Val(2s)	0.984098181	-0.231053761 Hartree
163	C16 Ryd(3s)	0.000432184	1.282118964 Hartree
164	C16 Ryd(4s)	0.000039126	3.721515158 Hartree
165	C16 Val(2p)	1.093886964	-0.138942563 Hartree
166	C16 Ryd(3p)	0.004448022	0.665999464 Hartree
167	C16 Val(2p)	1.173600043	-0.161923337 Hartree
168	C16 Ryd(3p)	0.004979707	0.888701462 Hartree
169	C16 Val(2p)	0.866778222	-0.231383921 Hartree
170	C16 Ryd(3p)	0.000375335	0.491576367 Hartree
171	C16 Ryd(3d)	0.001033458	2.217746734 Hartree
172	C16 Ryd(3d)	0.000509990	1.768517790 Hartree
173	C16 Ryd(3d)	0.000489529	1.702640794 Hartree
174	C16 Ryd(3d)	0.000945609	2.250958268 Hartree
175	C16 Ryd(3d)	0.000740025	2.120186489 Hartree
176	C17 Cor(1s)	1.999996272	-10.324017917 Hartree
177	C17 Val(2s)	0.972755961	-0.224463772 Hartree
178	C17 Ryd(3s)	0.000720967	1.115945749 Hartree
179	C17 Ryd(4s)	0.000055951	3.908237911 Hartree
180	C17 Val(2p)	1.211945745	-0.177090971 Hartree
181	C17 Ryd(3p)	0.005684123	0.997692100 Hartree
182	C17 Val(2p)	1.051080859	-0.123152360 Hartree
183	C17 Ryd(3p)	0.004009302	0.583529462 Hartree
184	C17 Val(2p)	0.983319426	-0.233299179 Hartree
185	C17 Ryd(3p)	0.000435874	0.498740523 Hartree
186	C17 Ryd(3d)	0.000891008	2.269869456 Hartree
187	C17 Ryd(3d)	0.000401811	1.662039278 Hartree
188	C17 Ryd(3d)	0.000428522	1.819696409 Hartree
189	C17 Ryd(3d)	0.001046063	2.254548671 Hartree
190	C17 Ryd(3d)	0.000734101	2.129023498 Hartree
191	C18 Cor(1s)	1.999996380	-10.336015688 Hartree
192	C18 Val(2s)	0.951045791	-0.221592319 Hartree
193	C18 Ryd(3s)	0.000500388	0.978868007 Hartree
194	C18 Ryd(4s)	0.000069340	4.057898679 Hartree
195	C18 Val(2p)	1.091033243	-0.134938609 Hartree
196	C18 Ryd(3p)	0.003145189	0.967292285 Hartree
197	C18 Val(2p)	1.149834901	-0.166615472 Hartree
198	C18 Ryd(3p)	0.003969032	0.924183957 Hartree
199	C18 Val(2p)	0.931622581	-0.244443213 Hartree
200	C18 Ryd(3p)	0.000362940	0.502039830 Hartree
201	C18 Ryd(3d)	0.001123379	2.316018703 Hartree
202	C18 Ryd(3d)	0.000457151	1.737436231 Hartree
203	C18 Ryd(3d)	0.000393216	1.691989863 Hartree
204	C18 Ryd(3d)	0.000735494	2.255373498 Hartree
205	C18 Ryd(3d)	0.000718215	2.109470783 Hartree
206	H19 Val(1s)	0.777850891	0.032136727 Hartree
207	H19 Ryd(2s)	0.001790902	0.675659070 Hartree
208	H20 Val(1s)	0.736968883	-0.000901751 Hartree
209	H20 Ryd(2s)	0.000732019	0.460632114 Hartree
210	H21 Val(1s)	0.734595771	-0.001419313 Hartree
211	H21 Ryd(2s)	0.000640846	0.451399823 Hartree
212	H22 Val(1s)	0.736968755	-0.000901711 Hartree
213	H22 Ryd(2s)	0.000732021	0.460631913 Hartree
214	H23 Val(1s)	0.777851171	0.032136658 Hartree
215	H23 Ryd(2s)	0.001790901	0.675659013 Hartree
216	C24 Cor(1s)	1.999996522	-10.371969718 Hartree
217	C24 Val(2s)	0.900834713	-0.242225964 Hartree
218	C24 Ryd(3s)	0.000218568	0.939017900 Hartree
219	C24 Ryd(4s)	0.000052531	4.112369480 Hartree
220	C24 Val(2p)	1.079436378	-0.174593423 Hartree
221	C24 Ryd(3p)	0.005081045	1.020338057 Hartree
222	C24 Val(2p)	1.061141598	-0.171616541 Hartree
223	C24 Ryd(3p)	0.004266186	1.093989114 Hartree
224	C24 Val(2p)	1.050291714	-0.259821061 Hartree
225	C24 Ryd(3p)	0.000375784	0.557157945 Hartree
226	C24 Ryd(3d)	0.000850098	2.268189251 Hartree
227	C24 Ryd(3d)	0.000463881	1.748155055 Hartree
228	C24 Ryd(3d)	0.000361660	1.746686295 Hartree
229	C24 Ryd(3d)	0.000810176	2.363917341 Hartree
230	C24 Ryd(3d)	0.000526193	2.202347692 Hartree
231	C25 Cor(1s)	1.999996380	-10.336015676 Hartree
232	C25 Val(2s)	0.951045842	-0.221592233 Hartree
233	C25 Ryd(3s)	0.000500389	0.978868217 Hartree
234	C25 Ryd(4s)	0.000069339	4.057897884 Hartree
235	C25 Val(2p)	1.091032964	-0.134938436 Hartree
236	C25 Ryd(3p)	0.003145198	0.967291917 Hartree
237	C25 Val(2p)	1.149834457	-0.166615220 Hartree
238	C25 Ryd(3p)	0.003969065	0.924183604 Hartree
239	C25 Val(2p)	0.931622861	-0.244443254 Hartree
240	C25 Ryd(3p)	0.000362946	0.502037976 Hartree
241	C25 Ryd(3d)	0.001123374	2.316018578 Hartree
242	C25 Ryd(3d)	0.000457149	1.737436256 Hartree
243	C25 Ryd(3d)	0.000393215	1.691989814 Hartree
244	C25 Ryd(3d)	0.000735490	2.255373271 Hartree
245	C25 Ryd(3d)	0.000718216	2.109470541 Hartree
246	C26 Cor(1s)	1.999996272	-10.324017972 Hartree
247	C26 Val(2s)	0.972755921	-0.224463732 Hartree
248	C26 Ryd(3s)	0.000720952	1.115950159 Hartree
249	C26 Ryd(4s)	0.000055952	3.908233649 Hartree
250	C26 Val(2p)	1.211945930	-0.177091024 Hartree
251	C26 Ryd(3p)	0.005684137	0.997691658 Hartree
252	C26 Val(2p)	1.051080969	-0.123152420 Hartree
253	C26 Ryd(3p)	0.004009299	0.583529558 Hartree
254	C26 Val(2p)	0.983319600	-0.233299258 Hartree
255	C26 Ryd(3p)	0.000435874	0.498740211 Hartree
256	C26 Ryd(3d)	0.000891012	2.269869514 Hartree
257	C26 Ryd(3d)	0.000401815	1.662039339 Hartree
258	C26 Ryd(3d)	0.000428521	1.819696400 Hartree
259	C26 Ryd(3d)	0.001046068	2.254548893 Hartree
260	C26 Ryd(3d)	0.000734101	2.129023680 Hartree
261	C27 Cor(1s)	1.999996265	-10.335080459 Hartree
262	C27 Val(2s)	0.984098181	-0.231053761 Hartree
263	C27 Ryd(3s)	0.000432184	1.282118964 Hartree
264	C27 Ryd(4s)	0.000039126	3.721515157 Hartree
265	C27 Val(2p)	1.093886925	-0.138942526 Hartree
266	C27 Ryd(3p)	0.004448020	0.665999550 Hartree
267	C27 Val(2p)	1.173600081	-0.161923375 Hartree
268	C27 Ryd(3p)	0.004979709	0.888701377 Hartree
269	C27 Val(2p)	0.866778222	-0.231383921 Hartree
270	C27 Ryd(3p)	0.000375335	0.491576367 Hartree
271	C27 Ryd(3d)	0.001033458	2.217746678 Hartree
272	C27 Ryd(3d)	0.000509988	1.768517781 Hartree
273	C27 Ryd(3d)	0.000489531	1.702640803 Hartree
274	C27 Ryd(3d)	0.000945610	2.250958324 Hartree
275	C27 Ryd(3d)	0.000740025	2.120186489 Hartree
276	C28 Cor(1s)	1.999996272	-10.324017917 Hartree
277	C28 Val(2s)	0.972755961	-0.224463772 Hartree
278	C28 Ryd(3s)	0.000720967	1.115945749 Hartree
279	C28 Ryd(4s)	0.000055951	3.908237911 Hartree
280	C28 Val(2p)	1.099187948	-0.138856312 Hartree
281	C28 Ryd(3p)	0.004566014	0.711835362 Hartree
282	C28 Val(2p)	1.163838657	-0.161387018 Hartree
283	C28 Ryd(3p)	0.005127411	0.869386199 Hartree
284	C28 Val(2p)	0.983319426	-0.233299179 Hartree
285	C28 Ryd(3p)	0.000435874	0.498740523 Hartree
286	C28 Ryd(3d)	0.001003616	2.252022883 Hartree
287	C28 Ryd(3d)	0.000423363	1.775601073 Hartree
288	C28 Ryd(3d)	0.000406970	1.706134614 Hartree
289	C28 Ryd(3d)	0.000933456	2.272395245 Hartree
290	C28 Ryd(3d)	0.000734101	2.129023498 Hartree
291	C29 Cor(1s)	1.999996380	-10.336015688 Hartree
292	C29 Val(2s)	0.951045791	-0.221592319 Hartree
293	C29 Ryd(3s)	0.000500388	0.978868007 Hartree
294	C29 Ryd(4s)	0.000069340	4.057898679 Hartree
295	C29 Val(2p)	1.183999221	-0.171007038 Hartree
296	C29 Ryd(3p)	0.004623505	1.052879180 Hartree
297	C29 Val(2p)	1.056868923	-0.130547044 Hartree
298	C29 Ryd(3p)	0.002490717	0.838597063 Hartree
299	C29 Val(2p)	0.931622581	-0.244443213 Hartree
300	C29 Ryd(3p)	0.000362940	0.502039830 Hartree
301	C29 Ryd(3d)	0.000760301	2.296013379 Hartree
302	C29 Ryd(3d)	0.000257397	1.632085229 Hartree
303	C29 Ryd(3d)	0.000592971	1.797340866 Hartree
304	C29 Ryd(3d)	0.001098571	2.275378822 Hartree
305	C29 Ryd(3d)	0.000718215	2.109470783 Hartree
306	H30 Val(1s)	0.777850891	0.032136727 Hartree
307	H30 Ryd(2s)	0.001790902	0.675659070 Hartree
308	H31 Val(1s)	0.736968883	-0.000901751 Hartree
309	H31 Ryd(2s)	0.000732019	0.460632114 Hartree
310	H32 Val(1s)	0.734595771	-0.001419313 Hartree
311	H32 Ryd(2s)	0.000640846	0.451399823 Hartree
312	H33 Val(1s)	0.736968755	-0.000901711 Hartree
313	H33 Ryd(2s)	0.000732021	0.460631913 Hartree
314	H34 Val(1s)	0.777851171	0.032136658 Hartree
315	H34 Ryd(2s)	0.001790901	0.675659013 Hartree

Natural Hybrid Orbitals

Display Range		- / 315
Orbital	Description	Occupancy	Energy	Actions
1	CR(1)C1 s(100.00%)	1.999996419	-10.440286847 Hartree
2	CR(1)C2 s(100.00%)	1.999996522	-10.371969718 Hartree
3	CR(1)C3 s(100.00%)	1.999996380	-10.336015688 Hartree
4	CR(1)C4 s(100.00%)	1.999996272	-10.324017917 Hartree
5	CR(1)C5 s(100.00%)	1.999996265	-10.335080459 Hartree
6	CR(1)C6 s(100.00%)	1.999996272	-10.324017972 Hartree
7	CR(1)C7 s(100.00%)	1.999996380	-10.336015676 Hartree
8	CR(1)C13 s(100.00%)	1.999996522	-10.371969718 Hartree
9	CR(1)C14 s(100.00%)	1.999996380	-10.336015676 Hartree
10	CR(1)C15 s(100.00%)	1.999996272	-10.324017972 Hartree
11	CR(1)C16 s(100.00%)	1.999996265	-10.335080459 Hartree
12	CR(1)C17 s(100.00%)	1.999996272	-10.324017917 Hartree
13	CR(1)C18 s(100.00%)	1.999996380	-10.336015688 Hartree
14	CR(1)C24 s(100.00%)	1.999996522	-10.371969718 Hartree
15	CR(1)C25 s(100.00%)	1.999996380	-10.336015676 Hartree
16	CR(1)C26 s(100.00%)	1.999996272	-10.324017972 Hartree
17	CR(1)C27 s(100.00%)	1.999996265	-10.335080459 Hartree
18	CR(1)C28 s(100.00%)	1.999996272	-10.324017917 Hartree
19	CR(1)C29 s(100.00%)	1.999996380	-10.336015688 Hartree
20	BD(1)C1(C2) 1s(33.32%)p2.00(66.63%)d0.00(0.06%)	1.007548401	-0.234996448 Hartree
21	BD(1)C2(C1) 2s(33.36%)p2.00(66.58%)d0.00(0.06%)	0.995142605	-0.230515951 Hartree
22	BD(1)C1(C13) 1s(33.32%)p2.00(66.63%)d0.00(0.06%)	1.007548401	-0.234996448 Hartree
23	BD(1)C13(C1) 13s(33.36%)p2.00(66.58%)d0.00(0.06%)	0.995142605	-0.230515951 Hartree
24	BD(1)C1(C24) 1s(33.32%)p2.00(66.63%)d0.00(0.06%)	1.007548401	-0.234996448 Hartree
25	BD(1)C24(C1) 24s(33.36%)p2.00(66.58%)d0.00(0.06%)	0.995142605	-0.230515951 Hartree
26	BD(1)C2(C3) 2s(33.29%)p2.00(66.66%)d0.00(0.05%)	1.024148790	-0.176896765 Hartree
27	BD(1)C3(C2) 3s(35.24%)p1.84(64.69%)d0.00(0.07%)	0.973790758	-0.158828448 Hartree
28	BD(1)C2(C7) 2s(33.29%)p2.00(66.66%)d0.00(0.05%)	1.024148973	-0.176896600 Hartree
29	BD(1)C7(C2) 7s(35.24%)p1.84(64.69%)d0.00(0.07%)	0.973790620	-0.158828105 Hartree
30	BD(2)C2(C7) 2s(0.00%)p1.00(99.98%)d0.00(0.02%)	1.050224454	-0.259106630 Hartree
31	BD(2)C7(C2) 7s(0.00%)p1.00(99.97%)d0.00(0.03%)	0.931621948	-0.242942508 Hartree
32	BD(1)C3(C4) 3s(36.18%)p1.76(63.76%)d0.00(0.06%)	1.007749941	-0.135190770 Hartree
33	BD(1)C4(C3) 4s(35.21%)p1.84(64.72%)d0.00(0.07%)	0.984489277	-0.125267881 Hartree
34	BD(2)C3(C4) 3s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.931754130	-0.243470920 Hartree
35	BD(2)C4(C3) 4s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.983752101	-0.233443032 Hartree
36	BD(1)C3(H12) 3s(28.49%)p2.51(71.43%)d0.00(0.08%)	1.213905572	-0.216477648 Hartree
37	BD(1)H12(C3) 12s(100.00%)	0.777850714	0.031893560 Hartree
38	BD(1)C4(C5) 4s(35.00%)p1.86(64.93%)d0.00(0.07%)	1.000259532	-0.134691396 Hartree
39	BD(1)C5(C4) 5s(34.72%)p1.88(65.21%)d0.00(0.07%)	0.997893899	-0.129560479 Hartree
40	BD(1)C4(H11) 4s(29.74%)p2.36(70.19%)d0.00(0.07%)	1.256174093	-0.245553323 Hartree
41	BD(1)H11(C4) 11s(100.00%)	0.736966592	0.000050061 Hartree
42	BD(1)C5(C6) 5s(34.72%)p1.88(65.21%)d0.00(0.07%)	0.997893908	-0.129560549 Hartree
43	BD(1)C6(C5) 6s(35.00%)p1.86(64.93%)d0.00(0.07%)	1.000259515	-0.134691429 Hartree
44	BD(2)C5(C6) 5s(0.00%)p1.00(99.93%)d0.00(0.07%)	0.867222431	-0.231063721 Hartree
45	BD(2)C6(C5) 6s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.983740453	-0.233397122 Hartree
46	BD(1)C5(H10) 5s(30.48%)p2.28(69.45%)d0.00(0.07%)	1.261407240	-0.253565673 Hartree
47	BD(1)H10(C5) 10s(100.00%)	0.734593330	-0.000440914 Hartree
48	BD(1)C6(C7) 6s(35.21%)p1.84(64.72%)d0.00(0.07%)	0.984489453	-0.125267917 Hartree
49	BD(1)C7(C6) 7s(36.18%)p1.76(63.76%)d0.00(0.06%)	1.007749719	-0.135190609 Hartree
50	BD(1)C6(H9) 6s(29.74%)p2.36(70.19%)d0.00(0.07%)	1.256174211	-0.245553384 Hartree
51	BD(1)H9(C6) 9s(100.00%)	0.736966464	0.000050111 Hartree
52	BD(1)C7(H8) 7s(28.49%)p2.51(71.43%)d0.00(0.08%)	1.213905277	-0.216477489 Hartree
53	BD(1)H8(C7) 8s(100.00%)	0.777850993	0.031893500 Hartree
54	BD(1)C13(C14) 13s(33.29%)p2.00(66.66%)d0.00(0.05%)	1.024148973	-0.176896600 Hartree
55	BD(1)C14(C13) 14s(35.24%)p1.84(64.69%)d0.00(0.07%)	0.973790620	-0.158828105 Hartree
56	BD(2)C13(C14) 13s(0.00%)p1.00(99.98%)d0.00(0.02%)	1.050224454	-0.259106630 Hartree
57	BD(2)C14(C13) 14s(0.00%)p1.00(99.97%)d0.00(0.03%)	0.931621948	-0.242942508 Hartree
58	BD(1)C13(C18) 13s(33.29%)p2.00(66.66%)d0.00(0.05%)	1.024148790	-0.176896765 Hartree
59	BD(1)C18(C13) 18s(35.24%)p1.84(64.69%)d0.00(0.07%)	0.973790758	-0.158828448 Hartree
60	BD(1)C14(C15) 14s(36.18%)p1.76(63.76%)d0.00(0.06%)	1.007749719	-0.135190609 Hartree
61	BD(1)C15(C14) 15s(35.21%)p1.84(64.72%)d0.00(0.07%)	0.984489453	-0.125267917 Hartree
62	BD(1)C14(H23) 14s(28.49%)p2.51(71.43%)d0.00(0.08%)	1.213905277	-0.216477489 Hartree
63	BD(1)H23(C14) 23s(100.00%)	0.777850993	0.031893500 Hartree
64	BD(1)C15(C16) 15s(35.00%)p1.86(64.93%)d0.00(0.07%)	1.000259515	-0.134691429 Hartree
65	BD(1)C16(C15) 16s(34.72%)p1.88(65.21%)d0.00(0.07%)	0.997893908	-0.129560549 Hartree
66	BD(2)C15(C16) 15s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.983740453	-0.233397122 Hartree
67	BD(2)C16(C15) 16s(0.00%)p1.00(99.93%)d0.00(0.07%)	0.867222431	-0.231063721 Hartree
68	BD(1)C15(H22) 15s(29.74%)p2.36(70.19%)d0.00(0.07%)	1.256174211	-0.245553384 Hartree
69	BD(1)H22(C15) 22s(100.00%)	0.736966464	0.000050111 Hartree
70	BD(1)C16(C17) 16s(34.72%)p1.88(65.21%)d0.00(0.07%)	0.997893899	-0.129560479 Hartree
71	BD(1)C17(C16) 17s(35.00%)p1.86(64.93%)d0.00(0.07%)	1.000259532	-0.134691396 Hartree
72	BD(1)C16(H21) 16s(30.48%)p2.28(69.45%)d0.00(0.07%)	1.261407240	-0.253565673 Hartree
73	BD(1)H21(C16) 21s(100.00%)	0.734593330	-0.000440914 Hartree
74	BD(1)C17(C18) 17s(35.21%)p1.84(64.72%)d0.00(0.07%)	0.984489277	-0.125267881 Hartree
75	BD(1)C18(C17) 18s(36.18%)p1.76(63.76%)d0.00(0.06%)	1.007749941	-0.135190770 Hartree
76	BD(2)C17(C18) 17s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.983752101	-0.233443032 Hartree
77	BD(2)C18(C17) 18s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.931754130	-0.243470920 Hartree
78	BD(1)C17(H20) 17s(29.74%)p2.36(70.19%)d0.00(0.07%)	1.256174093	-0.245553323 Hartree
79	BD(1)H20(C17) 20s(100.00%)	0.736966592	0.000050061 Hartree
80	BD(1)C18(H19) 18s(28.49%)p2.51(71.43%)d0.00(0.08%)	1.213905572	-0.216477648 Hartree
81	BD(1)H19(C18) 19s(100.00%)	0.777850714	0.031893560 Hartree
82	BD(1)C24(C25) 24s(33.29%)p2.00(66.66%)d0.00(0.05%)	1.024148973	-0.176896600 Hartree
83	BD(1)C25(C24) 25s(35.24%)p1.84(64.69%)d0.00(0.07%)	0.973790620	-0.158828105 Hartree
84	BD(2)C24(C25) 24s(0.00%)p1.00(99.98%)d0.00(0.02%)	1.050224454	-0.259106630 Hartree
85	BD(2)C25(C24) 25s(0.00%)p1.00(99.97%)d0.00(0.03%)	0.931621948	-0.242942508 Hartree
86	BD(1)C24(C29) 24s(33.29%)p2.00(66.66%)d0.00(0.05%)	1.024148790	-0.176896765 Hartree
87	BD(1)C29(C24) 29s(35.24%)p1.84(64.69%)d0.00(0.07%)	0.973790758	-0.158828448 Hartree
88	BD(1)C25(C26) 25s(36.18%)p1.76(63.76%)d0.00(0.06%)	1.007749719	-0.135190609 Hartree
89	BD(1)C26(C25) 26s(35.21%)p1.84(64.72%)d0.00(0.07%)	0.984489453	-0.125267917 Hartree
90	BD(1)C25(H34) 25s(28.49%)p2.51(71.43%)d0.00(0.08%)	1.213905277	-0.216477489 Hartree
91	BD(1)H34(C25) 34s(100.00%)	0.777850993	0.031893500 Hartree
92	BD(1)C26(C27) 26s(35.00%)p1.86(64.93%)d0.00(0.07%)	1.000259515	-0.134691429 Hartree
93	BD(1)C27(C26) 27s(34.72%)p1.88(65.21%)d0.00(0.07%)	0.997893908	-0.129560549 Hartree
94	BD(2)C26(C27) 26s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.983740453	-0.233397122 Hartree
95	BD(2)C27(C26) 27s(0.00%)p1.00(99.93%)d0.00(0.07%)	0.867222431	-0.231063721 Hartree
96	BD(1)C26(H33) 26s(29.74%)p2.36(70.19%)d0.00(0.07%)	1.256174211	-0.245553384 Hartree
97	BD(1)H33(C26) 33s(100.00%)	0.736966464	0.000050111 Hartree
98	BD(1)C27(C28) 27s(34.72%)p1.88(65.21%)d0.00(0.07%)	0.997893899	-0.129560479 Hartree
99	BD(1)C28(C27) 28s(35.00%)p1.86(64.93%)d0.00(0.07%)	1.000259532	-0.134691396 Hartree
100	BD(1)C27(H32) 27s(30.48%)p2.28(69.45%)d0.00(0.07%)	1.261407240	-0.253565673 Hartree
101	BD(1)H32(C27) 32s(100.00%)	0.734593330	-0.000440914 Hartree
102	BD(1)C28(C29) 28s(35.21%)p1.84(64.72%)d0.00(0.07%)	0.984489277	-0.125267881 Hartree
103	BD(1)C29(C28) 29s(36.18%)p1.76(63.76%)d0.00(0.06%)	1.007749941	-0.135190770 Hartree
104	BD(2)C28(C29) 28s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.983752101	-0.233443032 Hartree
105	BD(2)C29(C28) 29s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.931754130	-0.243470920 Hartree
106	BD(1)C28(H31) 28s(29.74%)p2.36(70.19%)d0.00(0.07%)	1.256174093	-0.245553323 Hartree
107	BD(1)H31(C28) 31s(100.00%)	0.736966592	0.000050061 Hartree
108	BD(1)C29(H30) 29s(28.49%)p2.51(71.43%)d0.00(0.08%)	1.213905572	-0.216477648 Hartree
109	BD(1)H30(C29) 30s(100.00%)	0.777850714	0.031893560 Hartree
110	RY(1)C1 s(0.00%)p1.00(94.00%)d0.06(6.00%)	0.735188692	-0.278019364 Hartree
111	RY(2)C1 s(0.00%)p1.00(94.00%)d0.06(6.00%)	0.004319151	1.215862103 Hartree
112	RY(3)C1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.004319151	1.215862103 Hartree
113	RY(4)C1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000590531	1.693043917 Hartree
114	RY(5)C1 s(0.00%)p1.00(100.00%)	0.000590531	1.693043917 Hartree
115	RY(6)C1 s(100.00%)p0.00(0.00%)d0.00(0.00%)	0.000161382	0.541502277 Hartree
116	RY(7)C1 s(0.00%)p1.00(6.06%)d15.51(93.94%)	0.000092924	1.017462137 Hartree
117	RY(8)C1 s(0.00%)p1.00(6.06%)d15.51(93.94%)	0.000025103	2.132489437 Hartree
118	RY(9)C1 s(61.29%)p0.00(0.00%)d0.63(38.71%)	0.000025103	2.132489437 Hartree
119	RY(10)C1 s(38.76%)p0.00(0.00%)d1.58(61.24%)	0.000019705	3.220917474 Hartree
120	RY(1)C2 s(0.00%)p1.00(96.77%)d0.03(3.23%)	0.000000889	2.921343982 Hartree
121	RY(2)C2 s(0.95%)p93.49(88.77%)d10.83(10.28%)	0.005431827	1.063827879 Hartree
122	RY(3)C2 s(0.00%)p1.00(0.52%)d99.99(99.48%)	0.004025841	1.312218163 Hartree
123	RY(4)C2 s(0.00%)p1.00(97.79%)d0.02(2.21%)	0.000610069	1.742423222 Hartree
124	RY(5)C2 s(0.00%)p1.00(1.70%)d57.84(98.30%)	0.000376712	0.584651561 Hartree
125	RY(6)C2 s(98.88%)p0.01(0.61%)d0.01(0.51%)	0.000281805	1.724210082 Hartree
126	RY(7)C2 s(94.40%)p0.00(0.24%)d0.06(5.36%)	0.000180307	0.954652484 Hartree
127	RY(8)C2 s(0.00%)p1.00(3.28%)d29.44(96.72%)	0.000052647	4.028913543 Hartree
128	RY(9)C2 s(3.61%)p2.88(10.39%)d23.84(86.00%)	0.000052103	2.325096192 Hartree
129	RY(10)C2 s(2.22%)p0.02(0.04%)d43.95(97.74%)	0.000031749	2.094050154 Hartree
130	RY(1)C3 s(0.57%)p99.99(92.44%)d12.15(6.98%)	0.000002645	2.217283809 Hartree
131	RY(2)C3 s(0.09%)p99.99(97.06%)d32.13(2.85%)	0.004483261	1.209233808 Hartree
132	RY(3)C3 s(0.00%)p1.00(16.15%)d5.19(83.85%)	0.001753994	0.915864924 Hartree
133	RY(4)C3 s(0.00%)p1.00(70.04%)d0.43(29.96%)	0.000727619	1.580175211 Hartree
134	RY(5)C3 s(92.70%)p0.02(1.41%)d0.06(5.89%)	0.000346729	0.840328915 Hartree
135	RY(6)C3 s(5.24%)p0.58(3.03%)d17.52(91.73%)	0.000308790	1.016242336 Hartree
136	RY(7)C3 s(56.08%)p0.05(2.60%)d0.74(41.32%)	0.000123515	2.194523840 Hartree
137	RY(8)C3 s(42.78%)p0.08(3.45%)d1.26(53.77%)	0.000038115	3.027894384 Hartree
138	RY(9)C3 s(0.00%)p1.00(13.85%)d6.22(86.15%)	0.000019708	3.078306283 Hartree
139	RY(10)C3 s(2.63%)p0.04(0.12%)d36.91(97.25%)	0.000007411	1.509989506 Hartree
140	RY(1)C4 s(0.03%)p99.99(93.15%)d99.99(6.82%)	0.000001318	2.154390806 Hartree
141	RY(2)C4 s(3.62%)p26.21(94.92%)d0.40(1.46%)	0.005141364	1.125612267 Hartree
142	RY(3)C4 s(0.00%)p1.00(0.52%)d99.99(99.48%)	0.002434243	0.626179853 Hartree
143	RY(4)C4 s(0.00%)p1.00(89.04%)d0.12(10.96%)	0.000479285	1.810046684 Hartree
144	RY(5)C4 s(78.80%)p0.06(4.80%)d0.21(16.40%)	0.000352866	0.595380336 Hartree
145	RY(6)C4 s(18.15%)p0.01(0.13%)d4.50(81.73%)	0.000230611	1.078152495 Hartree
146	RY(7)C4 s(93.95%)p0.00(0.26%)d0.06(5.79%)	0.000142153	2.089753285 Hartree
147	RY(8)C4 s(1.78%)p3.66(6.52%)d51.47(91.70%)	0.000045040	4.004647028 Hartree
148	RY(9)C4 s(0.00%)p1.00(10.49%)d8.53(89.51%)	0.000006647	2.068721631 Hartree
149	RY(10)C4 s(3.71%)p0.10(0.38%)d25.82(95.90%)	0.000001381	1.575193043 Hartree
150	RY(1)C5 s(0.18%)p99.99(90.78%)d51.44(9.04%)	0.000001119	2.246585786 Hartree
151	RY(2)C5 s(0.00%)p1.00(99.05%)d0.01(0.95%)	0.004438598	1.163199400 Hartree
152	RY(3)C5 s(0.00%)p1.00(0.49%)d99.99(99.51%)	0.002350579	0.570142537 Hartree
153	RY(4)C5 s(0.00%)p1.00(88.91%)d0.12(11.09%)	0.000629271	1.794514361 Hartree
154	RY(5)C5 s(0.00%)p1.00(1.03%)d95.97(98.97%)	0.000301177	0.588160362 Hartree
155	RY(6)C5 s(99.48%)p0.00(0.19%)d0.00(0.32%)	0.000109867	2.237345704 Hartree
156	RY(7)C5 s(96.91%)p0.00(0.03%)d0.03(3.07%)	0.000066030	1.158437048 Hartree
157	RY(8)C5 s(0.10%)p88.60(9.02%)d99.99(90.88%)	0.000039283	3.774250472 Hartree
158	RY(9)C5 s(0.00%)p1.00(10.66%)d8.38(89.34%)	0.000003715	2.031217928 Hartree
159	RY(10)C5 s(3.40%)p0.01(0.04%)d28.36(96.56%)	0.000000197	1.579740027 Hartree
160	RY(1)C6 s(0.03%)p99.99(93.15%)d99.99(6.82%)	0.000000200	2.193400491 Hartree
161	RY(2)C6 s(3.62%)p26.21(94.92%)d0.40(1.46%)	0.005141361	1.125612139 Hartree
162	RY(3)C6 s(0.00%)p1.00(7.38%)d12.55(92.62%)	0.002434230	0.626179893 Hartree
163	RY(4)C6 s(0.00%)p1.00(82.16%)d0.22(17.84%)	0.000503719	1.712166610 Hartree
164	RY(5)C6 s(78.80%)p0.06(4.80%)d0.21(16.40%)	0.000340258	0.693398156 Hartree
165	RY(6)C6 s(18.15%)p0.01(0.13%)d4.50(81.72%)	0.000230611	1.078166366 Hartree
166	RY(7)C6 s(93.95%)p0.00(0.26%)d0.06(5.79%)	0.000142153	2.089737854 Hartree
167	RY(8)C6 s(1.78%)p3.66(6.52%)d51.47(91.70%)	0.000045041	4.004650923 Hartree
168	RY(9)C6 s(0.00%)p1.00(10.51%)d8.52(89.49%)	0.000006647	2.068720098 Hartree
169	RY(10)C6 s(3.71%)p0.10(0.38%)d25.82(95.90%)	0.000001381	1.575009049 Hartree
170	RY(1)C7 s(0.57%)p99.99(92.44%)d12.15(6.98%)	0.000001119	2.246585392 Hartree
171	RY(2)C7 s(0.09%)p99.99(97.06%)d32.13(2.85%)	0.004483262	1.209232334 Hartree
172	RY(3)C7 s(0.00%)p1.00(21.35%)d3.68(78.65%)	0.001754010	0.915864529 Hartree
173	RY(4)C7 s(0.00%)p1.00(64.90%)d0.54(35.10%)	0.000878540	1.508199673 Hartree
174	RY(5)C7 s(92.70%)p0.02(1.41%)d0.06(5.89%)	0.000328259	0.911143758 Hartree
175	RY(6)C7 s(5.24%)p0.58(3.03%)d17.52(91.73%)	0.000308791	1.016238695 Hartree
176	RY(7)C7 s(56.08%)p0.05(2.60%)d0.74(41.32%)	0.000123514	2.194522320 Hartree
177	RY(8)C7 s(42.78%)p0.08(3.45%)d1.26(53.78%)	0.000038115	3.027905734 Hartree
178	RY(9)C7 s(0.00%)p1.00(13.79%)d6.25(86.21%)	0.000019708	3.078298742 Hartree
179	RY(10)C7 s(2.63%)p0.04(0.12%)d36.91(97.25%)	0.000007424	1.510619869 Hartree
180	RY(1)H8 s(100.00%)	0.000001318	2.154391973 Hartree
181	RY(1)H9 s(100.00%)	0.001791078	0.675902171 Hartree
182	RY(1)H10 s(100.00%)	0.000734312	0.459680091 Hartree
183	RY(1)H11 s(100.00%)	0.000643287	0.450421424 Hartree
184	RY(1)H12 s(100.00%)	0.000734310	0.459680302 Hartree
185	RY(1)C13 s(0.00%)p1.00(96.77%)d0.03(3.23%)	0.001791079	0.675902237 Hartree
186	RY(2)C13 s(0.95%)p93.49(88.77%)d10.83(10.28%)	0.005431827	1.063827879 Hartree
187	RY(3)C13 s(0.00%)p1.00(0.52%)d99.99(99.48%)	0.004025841	1.312218163 Hartree
188	RY(4)C13 s(0.00%)p1.00(97.79%)d0.02(2.21%)	0.000610069	1.742423222 Hartree
189	RY(5)C13 s(0.00%)p1.00(1.70%)d57.84(98.30%)	0.000376712	0.584651561 Hartree
190	RY(6)C13 s(98.88%)p0.01(0.61%)d0.01(0.51%)	0.000281805	1.724210082 Hartree
191	RY(7)C13 s(94.40%)p0.00(0.24%)d0.06(5.36%)	0.000180307	0.954652483 Hartree
192	RY(8)C13 s(0.00%)p1.00(3.28%)d29.44(96.72%)	0.000052647	4.028913541 Hartree
193	RY(9)C13 s(3.61%)p2.88(10.39%)d23.84(86.00%)	0.000052103	2.325096192 Hartree
194	RY(10)C13 s(2.22%)p0.02(0.04%)d43.95(97.74%)	0.000031749	2.094050155 Hartree
195	RY(1)C14 s(0.57%)p99.99(92.44%)d12.15(6.98%)	0.000002645	2.217283810 Hartree
196	RY(2)C14 s(0.09%)p99.99(97.06%)d32.13(2.85%)	0.004483262	1.209232334 Hartree
197	RY(3)C14 s(0.00%)p1.00(21.35%)d3.68(78.65%)	0.001754010	0.915864529 Hartree
198	RY(4)C14 s(0.00%)p1.00(64.90%)d0.54(35.10%)	0.000878540	1.508199673 Hartree
199	RY(5)C14 s(92.70%)p0.02(1.41%)d0.06(5.89%)	0.000328259	0.911143758 Hartree
200	RY(6)C14 s(5.24%)p0.58(3.03%)d17.52(91.73%)	0.000308791	1.016238695 Hartree
201	RY(7)C14 s(56.08%)p0.05(2.60%)d0.74(41.32%)	0.000123514	2.194522319 Hartree
202	RY(8)C14 s(42.78%)p0.08(3.45%)d1.26(53.78%)	0.000038115	3.027905732 Hartree
203	RY(9)C14 s(0.00%)p1.00(13.79%)d6.25(86.21%)	0.000019708	3.078298745 Hartree
204	RY(10)C14 s(2.63%)p0.04(0.12%)d36.91(97.25%)	0.000007424	1.510619869 Hartree
205	RY(1)C15 s(0.03%)p99.99(93.15%)d99.99(6.82%)	0.000001318	2.154391973 Hartree
206	RY(2)C15 s(3.62%)p26.21(94.92%)d0.40(1.46%)	0.005141361	1.125612139 Hartree
207	RY(3)C15 s(0.00%)p1.00(7.38%)d12.55(92.62%)	0.002434230	0.626179893 Hartree
208	RY(4)C15 s(0.00%)p1.00(82.16%)d0.22(17.84%)	0.000503719	1.712166610 Hartree
209	RY(5)C15 s(78.80%)p0.06(4.80%)d0.21(16.40%)	0.000340258	0.693398156 Hartree
210	RY(6)C15 s(18.15%)p0.01(0.13%)d4.50(81.72%)	0.000230611	1.078166365 Hartree
211	RY(7)C15 s(93.95%)p0.00(0.26%)d0.06(5.79%)	0.000142153	2.089737854 Hartree
212	RY(8)C15 s(1.78%)p3.66(6.52%)d51.47(91.70%)	0.000045041	4.004650925 Hartree
213	RY(9)C15 s(0.00%)p1.00(10.51%)d8.52(89.49%)	0.000006647	2.068720098 Hartree
214	RY(10)C15 s(3.71%)p0.10(0.38%)d25.82(95.90%)	0.000001381	1.575009049 Hartree
215	RY(1)C16 s(0.18%)p99.99(90.78%)d51.44(9.04%)	0.000001119	2.246585391 Hartree
216	RY(2)C16 s(0.00%)p1.00(99.05%)d0.01(0.95%)	0.004438598	1.163199400 Hartree
217	RY(3)C16 s(0.00%)p1.00(0.49%)d99.99(99.51%)	0.002350579	0.570142537 Hartree
218	RY(4)C16 s(0.00%)p1.00(88.91%)d0.12(11.09%)	0.000629271	1.794514361 Hartree
219	RY(5)C16 s(0.00%)p1.00(1.03%)d95.97(98.97%)	0.000301177	0.588160362 Hartree
220	RY(6)C16 s(99.48%)p0.00(0.19%)d0.00(0.32%)	0.000109867	2.237345704 Hartree
221	RY(7)C16 s(96.91%)p0.00(0.03%)d0.03(3.07%)	0.000066030	1.158437047 Hartree
222	RY(8)C16 s(0.10%)p88.60(9.02%)d99.99(90.88%)	0.000039283	3.774250474 Hartree
223	RY(9)C16 s(0.00%)p1.00(10.66%)d8.38(89.34%)	0.000003715	2.031217928 Hartree
224	RY(10)C16 s(3.40%)p0.01(0.04%)d28.36(96.56%)	0.000000197	1.579740027 Hartree
225	RY(1)C17 s(0.03%)p99.99(93.15%)d99.99(6.82%)	0.000000200	2.193400491 Hartree
226	RY(2)C17 s(3.62%)p26.21(94.92%)d0.40(1.46%)	0.005141364	1.125612267 Hartree
227	RY(3)C17 s(0.00%)p1.00(0.52%)d99.99(99.48%)	0.002434243	0.626179853 Hartree
228	RY(4)C17 s(0.00%)p1.00(89.04%)d0.12(10.96%)	0.000479285	1.810046684 Hartree
229	RY(5)C17 s(78.80%)p0.06(4.80%)d0.21(16.40%)	0.000352866	0.595380336 Hartree
230	RY(6)C17 s(18.15%)p0.01(0.13%)d4.50(81.73%)	0.000230611	1.078152494 Hartree
231	RY(7)C17 s(93.95%)p0.00(0.26%)d0.06(5.79%)	0.000142153	2.089753286 Hartree
232	RY(8)C17 s(1.78%)p3.66(6.52%)d51.47(91.70%)	0.000045040	4.004647028 Hartree
233	RY(9)C17 s(0.00%)p1.00(10.49%)d8.53(89.51%)	0.000006647	2.068721631 Hartree
234	RY(10)C17 s(3.71%)p0.10(0.38%)d25.82(95.90%)	0.000001381	1.575193043 Hartree
235	RY(1)C18 s(0.57%)p99.99(92.44%)d12.15(6.98%)	0.000001119	2.246585785 Hartree
236	RY(2)C18 s(0.09%)p99.99(97.06%)d32.13(2.85%)	0.004483261	1.209233808 Hartree
237	RY(3)C18 s(0.00%)p1.00(16.15%)d5.19(83.85%)	0.001753994	0.915864924 Hartree
238	RY(4)C18 s(0.00%)p1.00(70.04%)d0.43(29.96%)	0.000727619	1.580175211 Hartree
239	RY(5)C18 s(92.70%)p0.02(1.41%)d0.06(5.89%)	0.000346729	0.840328915 Hartree
240	RY(6)C18 s(5.24%)p0.58(3.03%)d17.52(91.73%)	0.000308790	1.016242336 Hartree
241	RY(7)C18 s(56.08%)p0.05(2.60%)d0.74(41.32%)	0.000123515	2.194523840 Hartree
242	RY(8)C18 s(42.78%)p0.08(3.45%)d1.26(53.77%)	0.000038115	3.027894386 Hartree
243	RY(9)C18 s(0.00%)p1.00(13.85%)d6.22(86.15%)	0.000019708	3.078306281 Hartree
244	RY(10)C18 s(2.63%)p0.04(0.12%)d36.91(97.25%)	0.000007411	1.509989506 Hartree
245	RY(1)H19 s(100.00%)	0.000001318	2.154390805 Hartree
246	RY(1)H20 s(100.00%)	0.001791079	0.675902237 Hartree
247	RY(1)H21 s(100.00%)	0.000734310	0.459680302 Hartree
248	RY(1)H22 s(100.00%)	0.000643287	0.450421424 Hartree
249	RY(1)H23 s(100.00%)	0.000734312	0.459680091 Hartree
250	RY(1)C24 s(0.00%)p1.00(96.77%)d0.03(3.23%)	0.001791078	0.675902171 Hartree
251	RY(2)C24 s(0.95%)p93.49(88.77%)d10.83(10.28%)	0.005431827	1.063827879 Hartree
252	RY(3)C24 s(0.00%)p1.00(0.52%)d99.99(99.48%)	0.004025841	1.312218163 Hartree
253	RY(4)C24 s(0.00%)p1.00(97.79%)d0.02(2.21%)	0.000610069	1.742423222 Hartree
254	RY(5)C24 s(0.00%)p1.00(1.70%)d57.84(98.30%)	0.000376712	0.584651561 Hartree
255	RY(6)C24 s(98.88%)p0.01(0.61%)d0.01(0.51%)	0.000281805	1.724210082 Hartree
256	RY(7)C24 s(94.40%)p0.00(0.24%)d0.06(5.36%)	0.000180307	0.954652484 Hartree
257	RY(8)C24 s(0.00%)p1.00(3.28%)d29.44(96.72%)	0.000052647	4.028913542 Hartree
258	RY(9)C24 s(3.61%)p2.88(10.39%)d23.84(86.00%)	0.000052103	2.325096192 Hartree
259	RY(10)C24 s(2.22%)p0.02(0.04%)d43.95(97.74%)	0.000031749	2.094050155 Hartree
260	RY(1)C25 s(0.57%)p99.99(92.44%)d12.15(6.98%)	0.000002645	2.217283809 Hartree
261	RY(2)C25 s(0.09%)p99.99(97.06%)d32.13(2.85%)	0.004483262	1.209232334 Hartree
262	RY(3)C25 s(0.00%)p1.00(21.35%)d3.68(78.65%)	0.001754010	0.915864529 Hartree
263	RY(4)C25 s(0.00%)p1.00(64.90%)d0.54(35.10%)	0.000878540	1.508199673 Hartree
264	RY(5)C25 s(92.70%)p0.02(1.41%)d0.06(5.89%)	0.000328259	0.911143758 Hartree
265	RY(6)C25 s(5.24%)p0.58(3.03%)d17.52(91.73%)	0.000308791	1.016238695 Hartree
266	RY(7)C25 s(56.08%)p0.05(2.60%)d0.74(41.32%)	0.000123514	2.194522320 Hartree
267	RY(8)C25 s(42.78%)p0.08(3.45%)d1.26(53.78%)	0.000038115	3.027905731 Hartree
268	RY(9)C25 s(0.00%)p1.00(13.79%)d6.25(86.21%)	0.000019708	3.078298746 Hartree
269	RY(10)C25 s(2.63%)p0.04(0.12%)d36.91(97.25%)	0.000007424	1.510619869 Hartree
270	RY(1)C26 s(0.03%)p99.99(93.15%)d99.99(6.82%)	0.000001318	2.154391973 Hartree
271	RY(2)C26 s(3.62%)p26.21(94.92%)d0.40(1.46%)	0.005141361	1.125612139 Hartree
272	RY(3)C26 s(0.00%)p1.00(7.38%)d12.55(92.62%)	0.002434230	0.626179893 Hartree
273	RY(4)C26 s(0.00%)p1.00(82.16%)d0.22(17.84%)	0.000503719	1.712166610 Hartree
274	RY(5)C26 s(78.80%)p0.06(4.80%)d0.21(16.40%)	0.000340258	0.693398156 Hartree
275	RY(6)C26 s(18.15%)p0.01(0.13%)d4.50(81.72%)	0.000230611	1.078166366 Hartree
276	RY(7)C26 s(93.95%)p0.00(0.26%)d0.06(5.79%)	0.000142153	2.089737854 Hartree
277	RY(8)C26 s(1.78%)p3.66(6.52%)d51.47(91.70%)	0.000045041	4.004650923 Hartree
278	RY(9)C26 s(0.00%)p1.00(10.51%)d8.52(89.49%)	0.000006647	2.068720098 Hartree
279	RY(10)C26 s(3.71%)p0.10(0.38%)d25.82(95.90%)	0.000001381	1.575009049 Hartree
280	RY(1)C27 s(0.18%)p99.99(90.78%)d51.44(9.04%)	0.000001119	2.246585392 Hartree
281	RY(2)C27 s(0.00%)p1.00(99.05%)d0.01(0.95%)	0.004438598	1.163199400 Hartree
282	RY(3)C27 s(0.00%)p1.00(0.49%)d99.99(99.51%)	0.002350579	0.570142537 Hartree
283	RY(4)C27 s(0.00%)p1.00(88.91%)d0.12(11.09%)	0.000629271	1.794514361 Hartree
284	RY(5)C27 s(0.00%)p1.00(1.03%)d95.97(98.97%)	0.000301177	0.588160362 Hartree
285	RY(6)C27 s(99.48%)p0.00(0.19%)d0.00(0.32%)	0.000109867	2.237345704 Hartree
286	RY(7)C27 s(96.91%)p0.00(0.03%)d0.03(3.07%)	0.000066030	1.158437049 Hartree
287	RY(8)C27 s(0.10%)p88.60(9.02%)d99.99(90.88%)	0.000039283	3.774250472 Hartree
288	RY(9)C27 s(0.00%)p1.00(10.66%)d8.38(89.34%)	0.000003715	2.031217928 Hartree
289	RY(10)C27 s(3.40%)p0.01(0.04%)d28.36(96.56%)	0.000000197	1.579740027 Hartree
290	RY(1)C28 s(0.03%)p99.99(93.15%)d99.99(6.82%)	0.000000200	2.193400490 Hartree
291	RY(2)C28 s(3.62%)p26.21(94.92%)d0.40(1.46%)	0.005141364	1.125612267 Hartree
292	RY(3)C28 s(0.00%)p1.00(0.52%)d99.99(99.48%)	0.002434243	0.626179853 Hartree
293	RY(4)C28 s(0.00%)p1.00(89.04%)d0.12(10.96%)	0.000479285	1.810046684 Hartree
294	RY(5)C28 s(78.80%)p0.06(4.80%)d0.21(16.40%)	0.000352866	0.595380336 Hartree
295	RY(6)C28 s(18.15%)p0.01(0.13%)d4.50(81.73%)	0.000230611	1.078152494 Hartree
296	RY(7)C28 s(93.95%)p0.00(0.26%)d0.06(5.79%)	0.000142153	2.089753285 Hartree
297	RY(8)C28 s(1.78%)p3.66(6.52%)d51.47(91.70%)	0.000045040	4.004647028 Hartree
298	RY(9)C28 s(0.00%)p1.00(10.49%)d8.53(89.51%)	0.000006647	2.068721631 Hartree
299	RY(10)C28 s(3.71%)p0.10(0.38%)d25.82(95.90%)	0.000001381	1.575193043 Hartree
300	RY(1)C29 s(0.57%)p99.99(92.44%)d12.15(6.98%)	0.000001119	2.246585785 Hartree
301	RY(2)C29 s(0.09%)p99.99(97.06%)d32.13(2.85%)	0.004483261	1.209233808 Hartree
302	RY(3)C29 s(0.00%)p1.00(16.15%)d5.19(83.85%)	0.001753994	0.915864924 Hartree
303	RY(4)C29 s(0.00%)p1.00(70.04%)d0.43(29.96%)	0.000727619	1.580175211 Hartree
304	RY(5)C29 s(92.70%)p0.02(1.41%)d0.06(5.89%)	0.000346729	0.840328915 Hartree
305	RY(6)C29 s(5.24%)p0.58(3.03%)d17.52(91.73%)	0.000308790	1.016242336 Hartree
306	RY(7)C29 s(56.08%)p0.05(2.60%)d0.74(41.32%)	0.000123515	2.194523840 Hartree
307	RY(8)C29 s(42.78%)p0.08(3.45%)d1.26(53.77%)	0.000038115	3.027894385 Hartree
308	RY(9)C29 s(0.00%)p1.00(13.85%)d6.22(86.15%)	0.000019708	3.078306282 Hartree
309	RY(10)C29 s(2.63%)p0.04(0.12%)d36.91(97.25%)	0.000007411	1.509989506 Hartree
310	RY(1)H30 s(100.00%)	0.000001318	2.154390806 Hartree
311	RY(1)H31 s(100.00%)	0.001791079	0.675902237 Hartree
312	RY(1)H32 s(100.00%)	0.000734310	0.459680302 Hartree
313	RY(1)H33 s(100.00%)	0.000643287	0.450421424 Hartree
314	RY(1)H34 s(100.00%)	0.000734312	0.459680091 Hartree
315		0.001791078	0.675902171 Hartree

Natural Bond Orbitals

Display Range		- / 315
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	CR(1)C1	1	1.999996419	-10.440286847 Hartree
2	CR(1)C2	2	1.999996522	-10.371969718 Hartree
3	CR(1)C3	3	1.999996380	-10.336015688 Hartree
4	CR(1)C4	4	1.999996272	-10.324017917 Hartree
5	CR(1)C5	5	1.999996265	-10.335080459 Hartree
6	CR(1)C6	6	1.999996272	-10.324017972 Hartree
7	CR(1)C7	7	1.999996380	-10.336015676 Hartree
8	CR(1)C13	8	1.999996522	-10.371969718 Hartree
9	CR(1)C14	9	1.999996380	-10.336015676 Hartree
10	CR(1)C15	10	1.999996272	-10.324017972 Hartree
11	CR(1)C16	11	1.999996265	-10.335080459 Hartree
12	CR(1)C17	12	1.999996272	-10.324017917 Hartree
13	CR(1)C18	13	1.999996380	-10.336015688 Hartree
14	CR(1)C24	14	1.999996522	-10.371969718 Hartree
15	CR(1)C25	15	1.999996380	-10.336015676 Hartree
16	CR(1)C26	16	1.999996272	-10.324017972 Hartree
17	CR(1)C27	17	1.999996265	-10.335080459 Hartree
18	CR(1)C28	18	1.999996272	-10.324017917 Hartree
19	CR(1)C29	19	1.999996380	-10.336015688 Hartree
20	BD(1)C1-C2	20, 21	1.982987536	-0.716905650 Hartree
21	BD(1)C1-C13	22, 23	1.982987536	-0.716905650 Hartree
22	BD(1)C1-C24	24, 25	1.982987536	-0.716905650 Hartree
23	BD(1)C2-C3	26, 27	1.978194387	-0.718328280 Hartree
24	BD(1)C2-C7	28, 29	1.978194385	-0.718327995 Hartree
25	BD(2)C2-C7	30, 31	1.563989179	-0.380957107 Hartree
26	BD(1)C3-C4	32, 33	1.979333626	-0.723000241 Hartree
27	BD(2)C3-C4	34, 35	1.664813519	-0.382391946 Hartree
28	BD(1)C3-H12	36, 37	1.968877360	-0.626597700 Hartree
29	BD(1)C4-C5	38, 39	1.982650936	-0.721172712 Hartree
30	BD(1)C4-H11	40, 41	1.981303911	-0.609498173 Hartree
31	BD(1)C5-C6	42, 43	1.982650921	-0.721172821 Hartree
32	BD(2)C5-C6	44, 45	1.560049281	-0.373258695 Hartree
33	BD(1)C5-H10	46, 47	1.983942755	-0.617777021 Hartree
34	BD(1)C6-C7	48, 49	1.979333621	-0.723000243 Hartree
35	BD(1)C6-H9	50, 51	1.981303884	-0.609498214 Hartree
36	BD(1)C7-H8	52, 53	1.968877364	-0.626597626 Hartree
37	BD(1)C13-C14	54, 55	1.978194385	-0.718327995 Hartree
38	BD(2)C13-C14	56, 57	1.563989179	-0.380957107 Hartree
39	BD(1)C13-C18	58, 59	1.978194387	-0.718328280 Hartree
40	BD(1)C14-C15	60, 61	1.979333621	-0.723000243 Hartree
41	BD(1)C14-H23	62, 63	1.968877364	-0.626597626 Hartree
42	BD(1)C15-C16	64, 65	1.982650921	-0.721172821 Hartree
43	BD(2)C15-C16	66, 67	1.560049281	-0.373258695 Hartree
44	BD(1)C15-H22	68, 69	1.981303884	-0.609498214 Hartree
45	BD(1)C16-C17	70, 71	1.982650936	-0.721172712 Hartree
46	BD(1)C16-H21	72, 73	1.983942755	-0.617777021 Hartree
47	BD(1)C17-C18	74, 75	1.979333626	-0.723000241 Hartree
48	BD(2)C17-C18	76, 77	1.664813519	-0.382391946 Hartree
49	BD(1)C17-H20	78, 79	1.981303911	-0.609498173 Hartree
50	BD(1)C18-H19	80, 81	1.968877360	-0.626597700 Hartree
51	BD(1)C24-C25	82, 83	1.978194385	-0.718327995 Hartree
52	BD(2)C24-C25	84, 85	1.563989179	-0.380957107 Hartree
53	BD(1)C24-C29	86, 87	1.978194387	-0.718328280 Hartree
54	BD(1)C25-C26	88, 89	1.979333621	-0.723000243 Hartree
55	BD(1)C25-H34	90, 91	1.968877364	-0.626597626 Hartree
56	BD(1)C26-C27	92, 93	1.982650921	-0.721172821 Hartree
57	BD(2)C26-C27	94, 95	1.560049281	-0.373258695 Hartree
58	BD(1)C26-H33	96, 97	1.981303884	-0.609498214 Hartree
59	BD(1)C27-C28	98, 99	1.982650936	-0.721172712 Hartree
60	BD(1)C27-H32	100, 101	1.983942755	-0.617777021 Hartree
61	BD(1)C28-C29	102, 103	1.979333626	-0.723000241 Hartree
62	BD(2)C28-C29	104, 105	1.664813519	-0.382391946 Hartree
63	BD(1)C28-H31	106, 107	1.981303911	-0.609498173 Hartree
64	BD(1)C29-H30	108, 109	1.968877360	-0.626597700 Hartree
65	LV(1)C1	108, 109	0.735188692	-0.278019364 Hartree
66	BD*(1)C1-C2		0.019703470	0.251393252 Hartree
67	BD*(1)C1-C13		0.019703470	0.251393252 Hartree
68	BD*(1)C1-C24		0.019703470	0.251393252 Hartree
69	BD*(1)C2-C3		0.019745161	0.382603067 Hartree
70	BD*(1)C2-C7		0.019745208	0.382603290 Hartree
71	BD*(2)C2-C7		0.417857224	-0.121092032 Hartree
72	BD*(1)C3-C4		0.012905592	0.462541590 Hartree
73	BD*(2)C3-C4		0.250692711	-0.094522006 Hartree
74	BD*(1)C3-H12		0.022878926	0.442013612 Hartree
75	BD*(1)C4-C5		0.015502496	0.456920837 Hartree
76	BD*(1)C4-H11		0.011836774	0.363994912 Hartree
77	BD*(1)C5-C6		0.015502502	0.456920843 Hartree
78	BD*(2)C5-C6		0.290913602	-0.091202147 Hartree
79	BD*(1)C5-H10		0.012057816	0.363770434 Hartree
80	BD*(1)C6-C7		0.012905551	0.462541717 Hartree
81	BD*(1)C6-H9		0.011836791	0.363994941 Hartree
82	BD*(1)C7-H8		0.022878907	0.442013636 Hartree
83	BD*(1)C13-C14		0.019745208	0.382603290 Hartree
84	BD*(2)C13-C14		0.417857224	-0.121092032 Hartree
85	BD*(1)C13-C18		0.019745161	0.382603067 Hartree
86	BD*(1)C14-C15		0.012905551	0.462541717 Hartree
87	BD*(1)C14-H23		0.022878907	0.442013636 Hartree
88	BD*(1)C15-C16		0.015502502	0.456920843 Hartree
89	BD*(2)C15-C16		0.290913602	-0.091202147 Hartree
90	BD*(1)C15-H22		0.011836791	0.363994941 Hartree
91	BD*(1)C16-C17		0.015502496	0.456920837 Hartree
92	BD*(1)C16-H21		0.012057816	0.363770434 Hartree
93	BD*(1)C17-C18		0.012905592	0.462541590 Hartree
94	BD*(2)C17-C18		0.250692711	-0.094522006 Hartree
95	BD*(1)C17-H20		0.011836774	0.363994912 Hartree
96	BD*(1)C18-H19		0.022878926	0.442013612 Hartree
97	BD*(1)C24-C25		0.019745208	0.382603290 Hartree
98	BD*(2)C24-C25		0.417857224	-0.121092032 Hartree
99	BD*(1)C24-C29		0.019745161	0.382603067 Hartree
100	BD*(1)C25-C26		0.012905551	0.462541717 Hartree
101	BD*(1)C25-H34		0.022878907	0.442013636 Hartree
102	BD*(1)C26-C27		0.015502502	0.456920843 Hartree
103	BD*(2)C26-C27		0.290913602	-0.091202147 Hartree
104	BD*(1)C26-H33		0.011836791	0.363994941 Hartree
105	BD*(1)C27-C28		0.015502496	0.456920837 Hartree
106	BD*(1)C27-H32		0.012057816	0.363770434 Hartree
107	BD*(1)C28-C29		0.012905592	0.462541590 Hartree
108	BD*(2)C28-C29		0.250692711	-0.094522006 Hartree
109	BD*(1)C28-H31		0.011836774	0.363994912 Hartree
110	BD*(1)C29-H30		0.022878926	0.442013612 Hartree
111	RY(1)C1	110	0.004319151	1.215862103 Hartree
112	RY(2)C1	111	0.004319151	1.215862103 Hartree
113	RY(3)C1	112	0.000590531	1.693043917 Hartree
114	RY(4)C1	113	0.000590531	1.693043917 Hartree
115	RY(5)C1	114	0.000161382	0.541502277 Hartree
116	RY(6)C1	115	0.000092924	1.017462137 Hartree
117	RY(7)C1	116	0.000025103	2.132489437 Hartree
118	RY(8)C1	117	0.000025103	2.132489437 Hartree
119	RY(9)C1	118	0.000019705	3.220917474 Hartree
120	RY(10)C1	119	0.000000889	2.921343982 Hartree
121	RY(1)C2	120	0.005431827	1.063827879 Hartree
122	RY(2)C2	121	0.004025841	1.312218163 Hartree
123	RY(3)C2	122	0.000610069	1.742423222 Hartree
124	RY(4)C2	123	0.000376712	0.584651561 Hartree
125	RY(5)C2	124	0.000281805	1.724210082 Hartree
126	RY(6)C2	125	0.000180307	0.954652484 Hartree
127	RY(7)C2	126	0.000052647	4.028913543 Hartree
128	RY(8)C2	127	0.000052103	2.325096192 Hartree
129	RY(9)C2	128	0.000031749	2.094050154 Hartree
130	RY(10)C2	129	0.000002645	2.217283809 Hartree
131	RY(1)C3	130	0.004483261	1.209233808 Hartree
132	RY(2)C3	131	0.001753994	0.915864924 Hartree
133	RY(3)C3	132	0.000727619	1.580175211 Hartree
134	RY(4)C3	133	0.000346729	0.840328915 Hartree
135	RY(5)C3	134	0.000308790	1.016242336 Hartree
136	RY(6)C3	135	0.000123515	2.194523840 Hartree
137	RY(7)C3	136	0.000038115	3.027894384 Hartree
138	RY(8)C3	137	0.000019708	3.078306283 Hartree
139	RY(9)C3	138	0.000007411	1.509989506 Hartree
140	RY(10)C3	139	0.000001318	2.154390806 Hartree
141	RY(1)C4	140	0.005141364	1.125612267 Hartree
142	RY(2)C4	141	0.002434243	0.626179853 Hartree
143	RY(3)C4	142	0.000479285	1.810046684 Hartree
144	RY(4)C4	143	0.000352866	0.595380336 Hartree
145	RY(5)C4	144	0.000230611	1.078152495 Hartree
146	RY(6)C4	145	0.000142153	2.089753285 Hartree
147	RY(7)C4	146	0.000045040	4.004647028 Hartree
148	RY(8)C4	147	0.000006647	2.068721631 Hartree
149	RY(9)C4	148	0.000001381	1.575193043 Hartree
150	RY(10)C4	149	0.000001119	2.246585786 Hartree
151	RY(1)C5	150	0.004438598	1.163199400 Hartree
152	RY(2)C5	151	0.002350579	0.570142537 Hartree
153	RY(3)C5	152	0.000629271	1.794514361 Hartree
154	RY(4)C5	153	0.000301177	0.588160362 Hartree
155	RY(5)C5	154	0.000109867	2.237345704 Hartree
156	RY(6)C5	155	0.000066030	1.158437048 Hartree
157	RY(7)C5	156	0.000039283	3.774250472 Hartree
158	RY(8)C5	157	0.000003715	2.031217928 Hartree
159	RY(9)C5	158	0.000000197	1.579740027 Hartree
160	RY(10)C5	159	0.000000200	2.193400491 Hartree
161	RY(1)C6	160	0.005141361	1.125612139 Hartree
162	RY(2)C6	161	0.002434230	0.626179893 Hartree
163	RY(3)C6	162	0.000503719	1.712166610 Hartree
164	RY(4)C6	163	0.000340258	0.693398156 Hartree
165	RY(5)C6	164	0.000230611	1.078166366 Hartree
166	RY(6)C6	165	0.000142153	2.089737854 Hartree
167	RY(7)C6	166	0.000045041	4.004650923 Hartree
168	RY(8)C6	167	0.000006647	2.068720098 Hartree
169	RY(9)C6	168	0.000001381	1.575009049 Hartree
170	RY(10)C6	169	0.000001119	2.246585392 Hartree
171	RY(1)C7	170	0.004483262	1.209232334 Hartree
172	RY(2)C7	171	0.001754010	0.915864529 Hartree
173	RY(3)C7	172	0.000878540	1.508199673 Hartree
174	RY(4)C7	173	0.000328259	0.911143758 Hartree
175	RY(5)C7	174	0.000308791	1.016238695 Hartree
176	RY(6)C7	175	0.000123514	2.194522320 Hartree
177	RY(7)C7	176	0.000038115	3.027905734 Hartree
178	RY(8)C7	177	0.000019708	3.078298742 Hartree
179	RY(9)C7	178	0.000007424	1.510619869 Hartree
180	RY(10)C7	179	0.000001318	2.154391973 Hartree
181	RY(1)H8	180	0.001791078	0.675902171 Hartree
182	RY(1)H9	181	0.000734312	0.459680091 Hartree
183	RY(1)H10	182	0.000643287	0.450421424 Hartree
184	RY(1)H11	183	0.000734310	0.459680302 Hartree
185	RY(1)H12	184	0.001791079	0.675902237 Hartree
186	RY(1)C13	185	0.005431827	1.063827879 Hartree
187	RY(2)C13	186	0.004025841	1.312218163 Hartree
188	RY(3)C13	187	0.000610069	1.742423222 Hartree
189	RY(4)C13	188	0.000376712	0.584651561 Hartree
190	RY(5)C13	189	0.000281805	1.724210082 Hartree
191	RY(6)C13	190	0.000180307	0.954652483 Hartree
192	RY(7)C13	191	0.000052647	4.028913541 Hartree
193	RY(8)C13	192	0.000052103	2.325096192 Hartree
194	RY(9)C13	193	0.000031749	2.094050155 Hartree
195	RY(10)C13	194	0.000002645	2.217283810 Hartree
196	RY(1)C14	195	0.004483262	1.209232334 Hartree
197	RY(2)C14	196	0.001754010	0.915864529 Hartree
198	RY(3)C14	197	0.000878540	1.508199673 Hartree
199	RY(4)C14	198	0.000328259	0.911143758 Hartree
200	RY(5)C14	199	0.000308791	1.016238695 Hartree
201	RY(6)C14	200	0.000123514	2.194522319 Hartree
202	RY(7)C14	201	0.000038115	3.027905732 Hartree
203	RY(8)C14	202	0.000019708	3.078298745 Hartree
204	RY(9)C14	203	0.000007424	1.510619869 Hartree
205	RY(10)C14	204	0.000001318	2.154391973 Hartree
206	RY(1)C15	205	0.005141361	1.125612139 Hartree
207	RY(2)C15	206	0.002434230	0.626179893 Hartree
208	RY(3)C15	207	0.000503719	1.712166610 Hartree
209	RY(4)C15	208	0.000340258	0.693398156 Hartree
210	RY(5)C15	209	0.000230611	1.078166365 Hartree
211	RY(6)C15	210	0.000142153	2.089737854 Hartree
212	RY(7)C15	211	0.000045041	4.004650925 Hartree
213	RY(8)C15	212	0.000006647	2.068720098 Hartree
214	RY(9)C15	213	0.000001381	1.575009049 Hartree
215	RY(10)C15	214	0.000001119	2.246585391 Hartree
216	RY(1)C16	215	0.004438598	1.163199400 Hartree
217	RY(2)C16	216	0.002350579	0.570142537 Hartree
218	RY(3)C16	217	0.000629271	1.794514361 Hartree
219	RY(4)C16	218	0.000301177	0.588160362 Hartree
220	RY(5)C16	219	0.000109867	2.237345704 Hartree
221	RY(6)C16	220	0.000066030	1.158437047 Hartree
222	RY(7)C16	221	0.000039283	3.774250474 Hartree
223	RY(8)C16	222	0.000003715	2.031217928 Hartree
224	RY(9)C16	223	0.000000197	1.579740027 Hartree
225	RY(10)C16	224	0.000000200	2.193400491 Hartree
226	RY(1)C17	225	0.005141364	1.125612267 Hartree
227	RY(2)C17	226	0.002434243	0.626179853 Hartree
228	RY(3)C17	227	0.000479285	1.810046684 Hartree
229	RY(4)C17	228	0.000352866	0.595380336 Hartree
230	RY(5)C17	229	0.000230611	1.078152494 Hartree
231	RY(6)C17	230	0.000142153	2.089753286 Hartree
232	RY(7)C17	231	0.000045040	4.004647028 Hartree
233	RY(8)C17	232	0.000006647	2.068721631 Hartree
234	RY(9)C17	233	0.000001381	1.575193043 Hartree
235	RY(10)C17	234	0.000001119	2.246585785 Hartree
236	RY(1)C18	235	0.004483261	1.209233808 Hartree
237	RY(2)C18	236	0.001753994	0.915864924 Hartree
238	RY(3)C18	237	0.000727619	1.580175211 Hartree
239	RY(4)C18	238	0.000346729	0.840328915 Hartree
240	RY(5)C18	239	0.000308790	1.016242336 Hartree
241	RY(6)C18	240	0.000123515	2.194523840 Hartree
242	RY(7)C18	241	0.000038115	3.027894386 Hartree
243	RY(8)C18	242	0.000019708	3.078306281 Hartree
244	RY(9)C18	243	0.000007411	1.509989506 Hartree
245	RY(10)C18	244	0.000001318	2.154390805 Hartree
246	RY(1)H19	245	0.001791079	0.675902237 Hartree
247	RY(1)H20	246	0.000734310	0.459680302 Hartree
248	RY(1)H21	247	0.000643287	0.450421424 Hartree
249	RY(1)H22	248	0.000734312	0.459680091 Hartree
250	RY(1)H23	249	0.001791078	0.675902171 Hartree
251	RY(1)C24	250	0.005431827	1.063827879 Hartree
252	RY(2)C24	251	0.004025841	1.312218163 Hartree
253	RY(3)C24	252	0.000610069	1.742423222 Hartree
254	RY(4)C24	253	0.000376712	0.584651561 Hartree
255	RY(5)C24	254	0.000281805	1.724210082 Hartree
256	RY(6)C24	255	0.000180307	0.954652484 Hartree
257	RY(7)C24	256	0.000052647	4.028913542 Hartree
258	RY(8)C24	257	0.000052103	2.325096192 Hartree
259	RY(9)C24	258	0.000031749	2.094050155 Hartree
260	RY(10)C24	259	0.000002645	2.217283809 Hartree
261	RY(1)C25	260	0.004483262	1.209232334 Hartree
262	RY(2)C25	261	0.001754010	0.915864529 Hartree
263	RY(3)C25	262	0.000878540	1.508199673 Hartree
264	RY(4)C25	263	0.000328259	0.911143758 Hartree
265	RY(5)C25	264	0.000308791	1.016238695 Hartree
266	RY(6)C25	265	0.000123514	2.194522320 Hartree
267	RY(7)C25	266	0.000038115	3.027905731 Hartree
268	RY(8)C25	267	0.000019708	3.078298746 Hartree
269	RY(9)C25	268	0.000007424	1.510619869 Hartree
270	RY(10)C25	269	0.000001318	2.154391973 Hartree
271	RY(1)C26	270	0.005141361	1.125612139 Hartree
272	RY(2)C26	271	0.002434230	0.626179893 Hartree
273	RY(3)C26	272	0.000503719	1.712166610 Hartree
274	RY(4)C26	273	0.000340258	0.693398156 Hartree
275	RY(5)C26	274	0.000230611	1.078166366 Hartree
276	RY(6)C26	275	0.000142153	2.089737854 Hartree
277	RY(7)C26	276	0.000045041	4.004650923 Hartree
278	RY(8)C26	277	0.000006647	2.068720098 Hartree
279	RY(9)C26	278	0.000001381	1.575009049 Hartree
280	RY(10)C26	279	0.000001119	2.246585392 Hartree
281	RY(1)C27	280	0.004438598	1.163199400 Hartree
282	RY(2)C27	281	0.002350579	0.570142537 Hartree
283	RY(3)C27	282	0.000629271	1.794514361 Hartree
284	RY(4)C27	283	0.000301177	0.588160362 Hartree
285	RY(5)C27	284	0.000109867	2.237345704 Hartree
286	RY(6)C27	285	0.000066030	1.158437049 Hartree
287	RY(7)C27	286	0.000039283	3.774250472 Hartree
288	RY(8)C27	287	0.000003715	2.031217928 Hartree
289	RY(9)C27	288	0.000000197	1.579740027 Hartree
290	RY(10)C27	289	0.000000200	2.193400490 Hartree
291	RY(1)C28	290	0.005141364	1.125612267 Hartree
292	RY(2)C28	291	0.002434243	0.626179853 Hartree
293	RY(3)C28	292	0.000479285	1.810046684 Hartree
294	RY(4)C28	293	0.000352866	0.595380336 Hartree
295	RY(5)C28	294	0.000230611	1.078152494 Hartree
296	RY(6)C28	295	0.000142153	2.089753285 Hartree
297	RY(7)C28	296	0.000045040	4.004647028 Hartree
298	RY(8)C28	297	0.000006647	2.068721631 Hartree
299	RY(9)C28	298	0.000001381	1.575193043 Hartree
300	RY(10)C28	299	0.000001119	2.246585785 Hartree
301	RY(1)C29	300	0.004483261	1.209233808 Hartree
302	RY(2)C29	301	0.001753994	0.915864924 Hartree
303	RY(3)C29	302	0.000727619	1.580175211 Hartree
304	RY(4)C29	303	0.000346729	0.840328915 Hartree
305	RY(5)C29	304	0.000308790	1.016242336 Hartree
306	RY(6)C29	305	0.000123515	2.194523840 Hartree
307	RY(7)C29	306	0.000038115	3.027894385 Hartree
308	RY(8)C29	307	0.000019708	3.078306282 Hartree
309	RY(9)C29	308	0.000007411	1.509989506 Hartree
310	RY(10)C29	309	0.000001318	2.154390806 Hartree
311	RY(1)H30	310	0.001791079	0.675902237 Hartree
312	RY(1)H31	311	0.000734310	0.459680302 Hartree
313	RY(1)H32	312	0.000643287	0.450421424 Hartree
314	RY(1)H33	313	0.000734312	0.459680091 Hartree
315	RY(1)H34	314	0.001791078	0.675902171 Hartree

Quote

TIME GOES, YOU SAY? AH NO! ALAS, TIME STAYS, WE GO. -- A. DOBSON (1840-1921)

WebMO Job Summary

473906: C19H15(+1) planar trityl D3d, 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