WebMO Job Summary

Overview

Quantity	Value
Route	#N B3LYP/6-31G(d) SP GFINPUT POP=(FULL,NBORead) Geom=Connectivity
Stoichiometry	C₁₉H₁₅(1+)
Symmetry	D3H
Basis	6-31G(d)
RB3LYP Energy	-732.487330433 Hartree
Dipole Moment	0.0000 Debye
Server	default (2753794)
CPU time	67.9 sec

Rotational Constants

Constant	Frequency (GHz)	Frequency (cm^-1)
a	0.3872510	0.01291730294
b	0.3872510	0.01291730294
c	0.1936255	0.00645865147

Molecular Orbitals

Display Range		- / 315
Orbital	Symmetry	Occupancy	Energy	Actions
1	A1'	2	-10.42827 Hartree
2	E'	2	-10.36678 Hartree
3	E'	2	-10.36678 Hartree
4	A1'	2	-10.36678 Hartree
5	E'	2	-10.34209 Hartree
6	E'	2	-10.34209 Hartree
7	A1'	2	-10.34209 Hartree
8	A2'	2	-10.33657 Hartree
9	E'	2	-10.33657 Hartree
10	E'	2	-10.33657 Hartree
11	E'	2	-10.33656 Hartree
12	E'	2	-10.33656 Hartree
13	A1'	2	-10.33656 Hartree
14	A2'	2	-10.33520 Hartree
15	E'	2	-10.33520 Hartree
16	E'	2	-10.33520 Hartree
17	E'	2	-10.33519 Hartree
18	E'	2	-10.33519 Hartree
19	A1'	2	-10.33519 Hartree
20	A1'	2	-1.01824 Hartree
21	E'	2	-0.98547 Hartree
22	E'	2	-0.98547 Hartree
23	A1'	2	-0.93037 Hartree
24	E'	2	-0.91592 Hartree
25	E'	2	-0.91592 Hartree
26	E'	2	-0.87454 Hartree
27	E'	2	-0.87454 Hartree
28	A2'	2	-0.86901 Hartree
29	A1'	2	-0.84190 Hartree
30	E'	2	-0.79010 Hartree
31	E'	2	-0.79010 Hartree
32	A1'	2	-0.75443 Hartree
33	E'	2	-0.73980 Hartree
34	E'	2	-0.73980 Hartree
35	A2'	2	-0.71719 Hartree
36	A1'	2	-0.68028 Hartree
37	E'	2	-0.65538 Hartree
38	E'	2	-0.65538 Hartree
39	E'	2	-0.63619 Hartree
40	E'	2	-0.63619 Hartree
41	A1'	2	-0.59107 Hartree
42	E'	2	-0.58980 Hartree
43	E'	2	-0.58980 Hartree
44	A2'	2	-0.57307 Hartree
45	E'	2	-0.56208 Hartree
46	E'	2	-0.56208 Hartree
47	A2"	2	-0.53191 Hartree
48	A2'	2	-0.52363 Hartree
49	E'	2	-0.51953 Hartree
50	E'	2	-0.51953 Hartree
51	A1'	2	-0.51223 Hartree
52	E'	2	-0.50773 Hartree
53	E'	2	-0.50773 Hartree
54	E"	2	-0.49533 Hartree
55	E"	2	-0.49533 Hartree
56	A2"	2	-0.43834 Hartree
57	E'	2	-0.43662 Hartree
58	E'	2	-0.43662 Hartree
59	A2'	2	-0.41992 Hartree
60	E"	2	-0.39397 Hartree
61	E"	2	-0.39397 Hartree
62	E"	2	-0.38268 Hartree
63	E"	2	-0.38268 Hartree
64	A1"	2	-0.38071 Hartree
65	A2"	0	-0.27197 Hartree
66	E"	0	-0.15437 Hartree
67	E"	0	-0.15437 Hartree
68	E"	0	-0.14672 Hartree
69	E"	0	-0.14672 Hartree
70	A1"	0	-0.13090 Hartree
71	A2"	0	-0.08930 Hartree
72	A1'	0	-0.07713 Hartree
73	E'	0	-0.01865 Hartree
74	E'	0	-0.01865 Hartree
75	E'	0	0.00495 Hartree
76	E'	0	0.00495 Hartree
77	A1'	0	0.00925 Hartree
78	E"	0	0.01120 Hartree
79	E"	0	0.01120 Hartree
80	A2"	0	0.02186 Hartree
81	A2'	0	0.04513 Hartree
82	E'	0	0.04646 Hartree
83	E'	0	0.04646 Hartree
84	A1'	0	0.05983 Hartree
85	E'	0	0.06320 Hartree
86	E'	0	0.06320 Hartree
87	A1'	0	0.07367 Hartree
88	E'	0	0.08377 Hartree
89	E'	0	0.08377 Hartree
90	E'	0	0.11867 Hartree
91	E'	0	0.11867 Hartree
92	E'	0	0.15187 Hartree
93	E'	0	0.15187 Hartree
94	A1'	0	0.16262 Hartree
95	A2'	0	0.17261 Hartree
96	A1'	0	0.19210 Hartree
97	A2'	0	0.19220 Hartree
98	E'	0	0.19819 Hartree
99	E'	0	0.19819 Hartree
100	E'	0	0.22610 Hartree
101	E'	0	0.22610 Hartree
102	A1'	0	0.31692 Hartree
103	E'	0	0.32001 Hartree
104	E'	0	0.32001 Hartree
105	A2'	0	0.32864 Hartree
106	A2"	0	0.34852 Hartree
107	E'	0	0.36607 Hartree
108	E'	0	0.36607 Hartree
109	E"	0	0.38539 Hartree
110	E"	0	0.38539 Hartree
111	E'	0	0.39038 Hartree
112	E'	0	0.39038 Hartree
113	A1'	0	0.39488 Hartree
114	E'	0	0.40116 Hartree
115	E'	0	0.40116 Hartree
116	A1'	0	0.41914 Hartree
117	A2"	0	0.42412 Hartree
118	E"	0	0.42936 Hartree
119	E"	0	0.42936 Hartree
120	E'	0	0.43092 Hartree
121	E'	0	0.43092 Hartree
122	E'	0	0.43513 Hartree
123	E'	0	0.43513 Hartree
124	A2'	0	0.43886 Hartree
125	A1'	0	0.44479 Hartree
126	A2'	0	0.45794 Hartree
127	E'	0	0.47192 Hartree
128	E'	0	0.47192 Hartree
129	A1'	0	0.47728 Hartree
130	E'	0	0.47987 Hartree
131	E'	0	0.47987 Hartree
132	A1"	0	0.48441 Hartree
133	E"	0	0.49188 Hartree
134	E"	0	0.49188 Hartree
135	A2"	0	0.49872 Hartree
136	E"	0	0.53023 Hartree
137	E"	0	0.53023 Hartree
138	E"	0	0.56729 Hartree
139	E"	0	0.56729 Hartree
140	A2"	0	0.57489 Hartree
141	E'	0	0.61217 Hartree
142	E'	0	0.61217 Hartree
143	A2'	0	0.61580 Hartree
144	A1"	0	0.62659 Hartree
145	A2"	0	0.65583 Hartree
146	E"	0	0.67288 Hartree
147	E"	0	0.67288 Hartree
148	A1'	0	0.67498 Hartree
149	E'	0	0.69011 Hartree
150	E'	0	0.69011 Hartree
151	E'	0	0.70822 Hartree
152	E'	0	0.70822 Hartree
153	A1'	0	0.70914 Hartree
154	A2'	0	0.72296 Hartree
155	E'	0	0.72392 Hartree
156	E'	0	0.72392 Hartree
157	E'	0	0.77140 Hartree
158	E'	0	0.77140 Hartree
159	A1'	0	0.77928 Hartree
160	A1'	0	0.78592 Hartree
161	E'	0	0.79242 Hartree
162	E'	0	0.79242 Hartree
163	E'	0	0.80558 Hartree
164	E'	0	0.80558 Hartree
165	A2'	0	0.81623 Hartree
166	A1'	0	0.85979 Hartree
167	A2'	0	0.86406 Hartree
168	E'	0	0.87938 Hartree
169	E'	0	0.87938 Hartree
170	E'	0	0.94464 Hartree
171	E'	0	0.94464 Hartree
172	A2'	0	0.95945 Hartree
173	E'	0	0.95997 Hartree
174	E'	0	0.95997 Hartree
175	A1'	0	0.96629 Hartree
176	E'	0	1.03852 Hartree
177	E'	0	1.03852 Hartree
178	E'	0	1.07686 Hartree
179	E'	0	1.07686 Hartree
180	A1'	0	1.07961 Hartree
181	A2'	0	1.08360 Hartree
182	E"	0	1.10670 Hartree
183	E"	0	1.10670 Hartree
184	A1"	0	1.11336 Hartree
185	E'	0	1.12282 Hartree
186	E'	0	1.12282 Hartree
187	E"	0	1.15095 Hartree
188	E"	0	1.15095 Hartree
189	E'	0	1.15342 Hartree
190	E'	0	1.15342 Hartree
191	A2'	0	1.24968 Hartree
192	E'	0	1.26035 Hartree
193	E'	0	1.26035 Hartree
194	A1'	0	1.26286 Hartree
195	E'	0	1.28957 Hartree
196	E'	0	1.28957 Hartree
197	E"	0	1.29428 Hartree
198	E"	0	1.29428 Hartree
199	A1'	0	1.29584 Hartree
200	A2"	0	1.29690 Hartree
201	E"	0	1.32814 Hartree
202	E"	0	1.32814 Hartree
203	A1"	0	1.33078 Hartree
204	A2"	0	1.34342 Hartree
205	E"	0	1.34860 Hartree
206	E"	0	1.34860 Hartree
207	A1"	0	1.36480 Hartree
208	E"	0	1.36705 Hartree
209	E"	0	1.36705 Hartree
210	E'	0	1.36890 Hartree
211	E'	0	1.36890 Hartree
212	A2'	0	1.37987 Hartree
213	A2'	0	1.46167 Hartree
214	E'	0	1.48901 Hartree
215	E'	0	1.48901 Hartree
216	A2"	0	1.55173 Hartree
217	A1'	0	1.57394 Hartree
218	E'	0	1.58145 Hartree
219	E'	0	1.58145 Hartree
220	A1'	0	1.62472 Hartree
221	E'	0	1.65540 Hartree
222	E'	0	1.65540 Hartree
223	A2'	0	1.68513 Hartree
224	A1'	0	1.71735 Hartree
225	E'	0	1.71867 Hartree
226	E'	0	1.71867 Hartree
227	E"	0	1.75993 Hartree
228	E"	0	1.75993 Hartree
229	E'	0	1.76818 Hartree
230	E'	0	1.76818 Hartree
231	A1'	0	1.76975 Hartree
232	E'	0	1.79963 Hartree
233	E'	0	1.79963 Hartree
234	E'	0	1.86646 Hartree
235	E'	0	1.86646 Hartree
236	A2'	0	1.87673 Hartree
237	A1'	0	1.90175 Hartree
238	E'	0	1.92832 Hartree
239	E'	0	1.92832 Hartree
240	A1"	0	1.97649 Hartree
241	E'	0	1.97687 Hartree
242	E'	0	1.97687 Hartree
243	A1'	0	1.98295 Hartree
244	E"	0	1.98466 Hartree
245	E"	0	1.98466 Hartree
246	A2"	0	1.99034 Hartree
247	A2'	0	2.01752 Hartree
248	E'	0	2.03361 Hartree
249	E'	0	2.03361 Hartree
250	E"	0	2.05199 Hartree
251	E"	0	2.05199 Hartree
252	E'	0	2.07806 Hartree
253	E'	0	2.07806 Hartree
254	A2'	0	2.09630 Hartree
255	E"	0	2.12466 Hartree
256	E"	0	2.12466 Hartree
257	A1"	0	2.12996 Hartree
258	E"	0	2.13238 Hartree
259	E"	0	2.13238 Hartree
260	A2"	0	2.13485 Hartree
261	A2"	0	2.14244 Hartree
262	E"	0	2.24361 Hartree
263	E"	0	2.24361 Hartree
264	A1'	0	2.29093 Hartree
265	E'	0	2.33892 Hartree
266	E'	0	2.33892 Hartree
267	A1"	0	2.45317 Hartree
268	E'	0	2.45461 Hartree
269	E'	0	2.45461 Hartree
270	E"	0	2.46111 Hartree
271	E"	0	2.46111 Hartree
272	A2'	0	2.47476 Hartree
273	A1'	0	2.47770 Hartree
274	E'	0	2.51618 Hartree
275	E'	0	2.51618 Hartree
276	A1'	0	2.52299 Hartree
277	E'	0	2.53963 Hartree
278	E'	0	2.53963 Hartree
279	E'	0	2.58356 Hartree
280	E'	0	2.58356 Hartree
281	A2'	0	2.60073 Hartree
282	E'	0	2.64788 Hartree
283	E'	0	2.64788 Hartree
284	A1'	0	2.64977 Hartree
285	E'	0	2.68172 Hartree
286	E'	0	2.68172 Hartree
287	A2'	0	2.69131 Hartree
288	A1'	0	2.76767 Hartree
289	E'	0	2.80597 Hartree
290	E'	0	2.80597 Hartree
291	A2'	0	2.88542 Hartree
292	E'	0	2.98946 Hartree
293	E'	0	2.98946 Hartree
294	A1'	0	3.15086 Hartree
295	E'	0	3.24268 Hartree
296	E'	0	3.24268 Hartree
297	A1'	0	3.83231 Hartree
298	E'	0	3.93187 Hartree
299	E'	0	3.93187 Hartree
300	A1'	0	3.93267 Hartree
301	E'	0	3.97143 Hartree
302	E'	0	3.97143 Hartree
303	A2'	0	4.01057 Hartree
304	E'	0	4.01147 Hartree
305	E'	0	4.01147 Hartree
306	A1'	0	4.05187 Hartree
307	E'	0	4.19348 Hartree
308	E'	0	4.19348 Hartree
309	E'	0	4.20579 Hartree
310	E'	0	4.20579 Hartree
311	A2'	0	4.21714 Hartree
312	A1'	0	4.30194 Hartree
313	E'	0	4.50413 Hartree
314	E'	0	4.50413 Hartree
315	A1'	0	4.59383 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom	Symbol	Charge
1	C	-0.15239
2	C	-0.21798
3	C	-0.09918
4	C	-0.12412
5	C	-0.09918
6	C	-0.21798
7	H	0.26305
8	H	0.18539
9	C	0.25030
10	C	-0.12412
11	C	-0.09918
12	C	-0.21798
13	C	-0.15239
14	C	-0.21798
15	C	-0.09918
16	H	0.18539
17	H	0.26305
18	H	0.26385
19	H	0.26305
20	H	0.18539
21	C	-0.12412
22	C	-0.09918
23	C	-0.21798
24	C	-0.15239
25	C	-0.21798
26	C	-0.09918
27	H	0.18539
28	H	0.26305
29	H	0.26385
30	H	0.26305
31	H	0.18539
32	H	0.18539
33	H	0.26305
34	H	0.26385

Natural Atomic Orbitals

Display Range		- / 315
Orbital	Description	Occupancy	Energy	Actions
1	C1 Cor(1S)	1.999152882	-10.202308505 Hartree
2	C1 Val(2S)	0.995666042	-0.333227586 Hartree
3	C1 Ryd(3S)	0.000497552	1.028392015 Hartree
4	C1 Ryd(4S)	0.000028177	3.919924932 Hartree
5	C1 Val(2p)	1.167463700	-0.186715740 Hartree
6	C1 Ryd(3p)	0.004947958	0.882968492 Hartree
7	C1 Val(2p)	1.087790315	-0.177120682 Hartree
8	C1 Ryd(3p)	0.004344909	0.672686139 Hartree
9	C1 Val(2p)	0.889279963	-0.236324080 Hartree
10	C1 Ryd(3p)	0.000321479	0.495708251 Hartree
11	C1 Ryd(3d)	0.000880999	2.205243872 Hartree
12	C1 Ryd(3d)	0.000383582	1.682151779 Hartree
13	C1 Ryd(3d)	0.000459209	1.750690590 Hartree
14	C1 Ryd(3d)	0.000730146	2.220707657 Hartree
15	C1 Ryd(3d)	0.000439062	2.125493554 Hartree
16	C2 Cor(1S)	1.999158252	-10.196475308 Hartree
17	C2 Val(2S)	0.987951262	-0.327049370 Hartree
18	C2 Ryd(3S)	0.000625869	1.079829455 Hartree
19	C2 Ryd(4S)	0.000022137	3.892589841 Hartree
20	C2 Val(2p)	1.045818787	-0.172060149 Hartree
21	C2 Ryd(3p)	0.004073597	0.568283358 Hartree
22	C2 Val(2p)	1.207395509	-0.191931289 Hartree
23	C2 Ryd(3p)	0.005545748	0.987217563 Hartree
24	C2 Val(2p)	0.964244444	-0.237650671 Hartree
25	C2 Ryd(3p)	0.000403564	0.497025948 Hartree
26	C2 Ryd(3d)	0.000645686	2.260322116 Hartree
27	C2 Ryd(3d)	0.000388621	1.790002387 Hartree
28	C2 Ryd(3d)	0.000335558	1.652547581 Hartree
29	C2 Ryd(3d)	0.000933663	2.232587766 Hartree
30	C2 Ryd(3d)	0.000434722	2.149783553 Hartree
31	C3 Cor(1S)	1.999002335	-10.192776980 Hartree
32	C3 Val(2S)	0.960460397	-0.293083495 Hartree
33	C3 Ryd(3S)	0.001435924	0.946300500 Hartree
34	C3 Ryd(4S)	0.000049573	4.039416525 Hartree
35	C3 Val(2p)	1.117569973	-0.170010040 Hartree
36	C3 Ryd(3p)	0.004801931	1.027316277 Hartree
37	C3 Val(2p)	1.065049185	-0.161743761 Hartree
38	C3 Ryd(3p)	0.004203577	0.891370840 Hartree
39	C3 Val(2p)	0.943653494	-0.249426839 Hartree
40	C3 Ryd(3p)	0.000484754	0.501633415 Hartree
41	C3 Ryd(3d)	0.000634835	2.298006970 Hartree
42	C3 Ryd(3d)	0.000328978	1.673744626 Hartree
43	C3 Ryd(3d)	0.000441236	1.758201105 Hartree
44	C3 Ryd(3d)	0.000661867	2.335308504 Hartree
45	C3 Ryd(3d)	0.000397221	2.172237309 Hartree
46	C4 Cor(1S)	1.999011109	-10.221450898 Hartree
47	C4 Val(2S)	0.897051368	-0.311811277 Hartree
48	C4 Ryd(3S)	0.000621468	0.936987679 Hartree
49	C4 Ryd(4S)	0.000052037	4.060609484 Hartree
50	C4 Val(2p)	1.063960583	-0.209154563 Hartree
51	C4 Ryd(3p)	0.004846707	1.066815956 Hartree
52	C4 Val(2p)	1.097611287	-0.211182766 Hartree
53	C4 Ryd(3p)	0.004789993	1.041461331 Hartree
54	C4 Val(2p)	1.052899450	-0.259206756 Hartree
55	C4 Ryd(3p)	0.000327868	0.551983050 Hartree
56	C4 Ryd(3d)	0.000894473	2.327243192 Hartree
57	C4 Ryd(3d)	0.000372206	1.735919552 Hartree
58	C4 Ryd(3d)	0.000557012	1.753638282 Hartree
59	C4 Ryd(3d)	0.000739660	2.356122145 Hartree
60	C4 Ryd(3d)	0.000382995	2.233957827 Hartree
61	C5 Cor(1S)	1.999002335	-10.192776980 Hartree
62	C5 Val(2S)	0.960460397	-0.293083495 Hartree
63	C5 Ryd(3S)	0.001435924	0.946300500 Hartree
64	C5 Ryd(4S)	0.000049573	4.039416525 Hartree
65	C5 Val(2p)	1.049832369	-0.178896690 Hartree
66	C5 Ryd(3p)	0.003633048	0.822570004 Hartree
67	C5 Val(2p)	1.132786788	-0.152857110 Hartree
68	C5 Ryd(3p)	0.005372459	1.096117113 Hartree
69	C5 Val(2p)	0.943653494	-0.249426839 Hartree
70	C5 Ryd(3p)	0.000484754	0.501633415 Hartree
71	C5 Ryd(3d)	0.000576419	2.328096811 Hartree
72	C5 Ryd(3d)	0.000517642	1.782411563 Hartree
73	C5 Ryd(3d)	0.000252572	1.649534169 Hartree
74	C5 Ryd(3d)	0.000720283	2.305218663 Hartree
75	C5 Ryd(3d)	0.000397221	2.172237309 Hartree
76	C6 Cor(1S)	1.999158252	-10.196475308 Hartree
77	C6 Val(2S)	0.987951262	-0.327049370 Hartree
78	C6 Ryd(3S)	0.000625869	1.079829456 Hartree
79	C6 Ryd(4S)	0.000022137	3.892589841 Hartree
80	C6 Val(2p)	1.164169005	-0.184651632 Hartree
81	C6 Ryd(3p)	0.005237679	0.880862396 Hartree
82	C6 Val(2p)	1.089045291	-0.179339806 Hartree
83	C6 Ryd(3p)	0.004381667	0.674638524 Hartree
84	C6 Val(2p)	0.964244444	-0.237650671 Hartree
85	C6 Ryd(3p)	0.000403564	0.497025948 Hartree
86	C6 Ryd(3d)	0.000844154	2.216458463 Hartree
87	C6 Ryd(3d)	0.000341961	1.688017597 Hartree
88	C6 Ryd(3d)	0.000382218	1.754532372 Hartree
89	C6 Ryd(3d)	0.000735195	2.276451419 Hartree
90	C6 Ryd(3d)	0.000434722	2.149783553 Hartree
91	H7 Val(1S)	0.736308471	-0.018606835 Hartree
92	H7 Ryd(2S)	0.000645640	0.441526910 Hartree
93	H8 Val(1S)	0.811329988	0.135140885 Hartree
94	H8 Ryd(2S)	0.003283338	0.620672873 Hartree
95	C9 Cor(1S)	1.999164275	-10.296842253 Hartree
96	C9 Val(2S)	0.955753460	-0.387902823 Hartree
97	C9 Ryd(3S)	0.000222291	0.933662751 Hartree
98	C9 Ryd(4S)	0.000009081	4.011288105 Hartree
99	C9 Val(2p)	1.039388473	-0.216679984 Hartree
100	C9 Ryd(3p)	0.004570932	1.056555889 Hartree
101	C9 Val(2p)	1.039388473	-0.216679984 Hartree
102	C9 Ryd(3p)	0.004570932	1.056555889 Hartree
103	C9 Val(2p)	0.702926099	-0.274809783 Hartree
104	C9 Ryd(3p)	0.000370878	0.531429015 Hartree
105	C9 Ryd(3d)	0.000864801	2.255571014 Hartree
106	C9 Ryd(3d)	0.000608413	1.680855110 Hartree
107	C9 Ryd(3d)	0.000608413	1.680855110 Hartree
108	C9 Ryd(3d)	0.000864801	2.255571014 Hartree
109	C9 Ryd(3d)	0.000391423	2.148743593 Hartree
110	C10 Cor(1S)	1.999011109	-10.221450898 Hartree
111	C10 Val(2S)	0.897051368	-0.311811277 Hartree
112	C10 Ryd(3S)	0.000621468	0.936987679 Hartree
113	C10 Ryd(4S)	0.000052037	4.060609484 Hartree
114	C10 Val(2p)	1.063960583	-0.209154563 Hartree
115	C10 Ryd(3p)	0.004846707	1.066815956 Hartree
116	C10 Val(2p)	1.097611287	-0.211182766 Hartree
117	C10 Ryd(3p)	0.004789993	1.041461331 Hartree
118	C10 Val(2p)	1.052899450	-0.259206756 Hartree
119	C10 Ryd(3p)	0.000327868	0.551983050 Hartree
120	C10 Ryd(3d)	0.000894473	2.327243192 Hartree
121	C10 Ryd(3d)	0.000372206	1.735919552 Hartree
122	C10 Ryd(3d)	0.000557012	1.753638282 Hartree
123	C10 Ryd(3d)	0.000739660	2.356122145 Hartree
124	C10 Ryd(3d)	0.000382995	2.233957827 Hartree
125	C11 Cor(1S)	1.999002335	-10.192776980 Hartree
126	C11 Val(2S)	0.960460397	-0.293083495 Hartree
127	C11 Ryd(3S)	0.001435924	0.946300500 Hartree
128	C11 Ryd(4S)	0.000049573	4.039416525 Hartree
129	C11 Val(2p)	1.049832369	-0.178896690 Hartree
130	C11 Ryd(3p)	0.003633048	0.822570004 Hartree
131	C11 Val(2p)	1.132786788	-0.152857110 Hartree
132	C11 Ryd(3p)	0.005372459	1.096117113 Hartree
133	C11 Val(2p)	0.943653494	-0.249426839 Hartree
134	C11 Ryd(3p)	0.000484754	0.501633415 Hartree
135	C11 Ryd(3d)	0.000576419	2.328096811 Hartree
136	C11 Ryd(3d)	0.000517642	1.782411563 Hartree
137	C11 Ryd(3d)	0.000252572	1.649534169 Hartree
138	C11 Ryd(3d)	0.000720283	2.305218663 Hartree
139	C11 Ryd(3d)	0.000397221	2.172237309 Hartree
140	C12 Cor(1S)	1.999158252	-10.196475308 Hartree
141	C12 Val(2S)	0.987951262	-0.327049370 Hartree
142	C12 Ryd(3S)	0.000625869	1.079829456 Hartree
143	C12 Ryd(4S)	0.000022137	3.892589841 Hartree
144	C12 Val(2p)	1.164169005	-0.184651632 Hartree
145	C12 Ryd(3p)	0.005237679	0.880862396 Hartree
146	C12 Val(2p)	1.089045291	-0.179339806 Hartree
147	C12 Ryd(3p)	0.004381667	0.674638524 Hartree
148	C12 Val(2p)	0.964244444	-0.237650671 Hartree
149	C12 Ryd(3p)	0.000403564	0.497025948 Hartree
150	C12 Ryd(3d)	0.000844154	2.216458463 Hartree
151	C12 Ryd(3d)	0.000341961	1.688017597 Hartree
152	C12 Ryd(3d)	0.000382218	1.754532372 Hartree
153	C12 Ryd(3d)	0.000735195	2.276451419 Hartree
154	C12 Ryd(3d)	0.000434722	2.149783553 Hartree
155	C13 Cor(1S)	1.999152882	-10.202308505 Hartree
156	C13 Val(2S)	0.995666042	-0.333227586 Hartree
157	C13 Ryd(3S)	0.000497552	1.028392015 Hartree
158	C13 Ryd(4S)	0.000028177	3.919924931 Hartree
159	C13 Val(2p)	1.167463700	-0.186715740 Hartree
160	C13 Ryd(3p)	0.004947958	0.882968492 Hartree
161	C13 Val(2p)	1.087790315	-0.177120682 Hartree
162	C13 Ryd(3p)	0.004344909	0.672686139 Hartree
163	C13 Val(2p)	0.889279963	-0.236324080 Hartree
164	C13 Ryd(3p)	0.000321479	0.495708251 Hartree
165	C13 Ryd(3d)	0.000880999	2.205243872 Hartree
166	C13 Ryd(3d)	0.000383582	1.682151779 Hartree
167	C13 Ryd(3d)	0.000459209	1.750690590 Hartree
168	C13 Ryd(3d)	0.000730146	2.220707657 Hartree
169	C13 Ryd(3d)	0.000439062	2.125493554 Hartree
170	C14 Cor(1S)	1.999158252	-10.196475308 Hartree
171	C14 Val(2S)	0.987951262	-0.327049370 Hartree
172	C14 Ryd(3S)	0.000625869	1.079829455 Hartree
173	C14 Ryd(4S)	0.000022137	3.892589841 Hartree
174	C14 Val(2p)	1.045818787	-0.172060149 Hartree
175	C14 Ryd(3p)	0.004073597	0.568283358 Hartree
176	C14 Val(2p)	1.207395509	-0.191931289 Hartree
177	C14 Ryd(3p)	0.005545748	0.987217563 Hartree
178	C14 Val(2p)	0.964244444	-0.237650671 Hartree
179	C14 Ryd(3p)	0.000403564	0.497025948 Hartree
180	C14 Ryd(3d)	0.000645686	2.260322116 Hartree
181	C14 Ryd(3d)	0.000388621	1.790002387 Hartree
182	C14 Ryd(3d)	0.000335558	1.652547581 Hartree
183	C14 Ryd(3d)	0.000933663	2.232587766 Hartree
184	C14 Ryd(3d)	0.000434722	2.149783553 Hartree
185	C15 Cor(1S)	1.999002335	-10.192776980 Hartree
186	C15 Val(2S)	0.960460397	-0.293083495 Hartree
187	C15 Ryd(3S)	0.001435924	0.946300500 Hartree
188	C15 Ryd(4S)	0.000049573	4.039416525 Hartree
189	C15 Val(2p)	1.117569973	-0.170010040 Hartree
190	C15 Ryd(3p)	0.004801931	1.027316277 Hartree
191	C15 Val(2p)	1.065049185	-0.161743761 Hartree
192	C15 Ryd(3p)	0.004203577	0.891370840 Hartree
193	C15 Val(2p)	0.943653494	-0.249426839 Hartree
194	C15 Ryd(3p)	0.000484754	0.501633415 Hartree
195	C15 Ryd(3d)	0.000634835	2.298006970 Hartree
196	C15 Ryd(3d)	0.000328978	1.673744626 Hartree
197	C15 Ryd(3d)	0.000441236	1.758201105 Hartree
198	C15 Ryd(3d)	0.000661867	2.335308504 Hartree
199	C15 Ryd(3d)	0.000397221	2.172237309 Hartree
200	H16 Val(1S)	0.811329988	0.135140885 Hartree
201	H16 Ryd(2S)	0.003283338	0.620672873 Hartree
202	H17 Val(1S)	0.736308471	-0.018606835 Hartree
203	H17 Ryd(2S)	0.000645640	0.441526910 Hartree
204	H18 Val(1S)	0.735475661	-0.016134174 Hartree
205	H18 Ryd(2S)	0.000678964	0.447763582 Hartree
206	H19 Val(1S)	0.736308471	-0.018606835 Hartree
207	H19 Ryd(2S)	0.000645640	0.441526910 Hartree
208	H20 Val(1S)	0.811329988	0.135140885 Hartree
209	H20 Ryd(2S)	0.003283338	0.620672873 Hartree
210	C21 Cor(1S)	1.999011109	-10.221450898 Hartree
211	C21 Val(2S)	0.897051368	-0.311811277 Hartree
212	C21 Ryd(3S)	0.000621468	0.936987679 Hartree
213	C21 Ryd(4S)	0.000052037	4.060609484 Hartree
214	C21 Val(2p)	1.114436639	-0.212196867 Hartree
215	C21 Ryd(3p)	0.004761636	1.028784019 Hartree
216	C21 Val(2p)	1.047135231	-0.208140462 Hartree
217	C21 Ryd(3p)	0.004875064	1.079493268 Hartree
218	C21 Val(2p)	1.052899450	-0.259206756 Hartree
219	C21 Ryd(3p)	0.000327868	0.551983050 Hartree
220	C21 Ryd(3d)	0.000662253	2.370561622 Hartree
221	C21 Ryd(3d)	0.000649415	1.762497647 Hartree
222	C21 Ryd(3d)	0.000279802	1.727060187 Hartree
223	C21 Ryd(3d)	0.000971880	2.312803715 Hartree
224	C21 Ryd(3d)	0.000382995	2.233957827 Hartree
225	C22 Cor(1S)	1.999002335	-10.192776980 Hartree
226	C22 Val(2S)	0.960460397	-0.293083495 Hartree
227	C22 Ryd(3S)	0.001435924	0.946300500 Hartree
228	C22 Ryd(4S)	0.000049573	4.039416525 Hartree
229	C22 Val(2p)	1.106526394	-0.148723971 Hartree
230	C22 Ryd(3p)	0.005073282	1.028144394 Hartree
231	C22 Val(2p)	1.076092763	-0.183029830 Hartree
232	C22 Ryd(3p)	0.003932225	0.890542722 Hartree
233	C22 Val(2p)	0.943653494	-0.249426839 Hartree
234	C22 Ryd(3p)	0.000484754	0.501633415 Hartree
235	C22 Ryd(3d)	0.000733799	2.323869430 Hartree
236	C22 Ryd(3d)	0.000308701	1.691762408 Hartree
237	C22 Ryd(3d)	0.000461513	1.740183323 Hartree
238	C22 Ryd(3d)	0.000562903	2.309446044 Hartree
239	C22 Ryd(3d)	0.000397221	2.172237309 Hartree
240	C23 Cor(1S)	1.999158252	-10.196475308 Hartree
241	C23 Val(2S)	0.987951262	-0.327049370 Hartree
242	C23 Ryd(3S)	0.000625869	1.079829455 Hartree
243	C23 Ryd(4S)	0.000022137	3.892589841 Hartree
244	C23 Val(2p)	1.169833652	-0.189275375 Hartree
245	C23 Ryd(3p)	0.005117743	0.884105627 Hartree
246	C23 Val(2p)	1.083380644	-0.174716063 Hartree
247	C23 Ryd(3p)	0.004501603	0.671395294 Hartree
248	C23 Val(2p)	0.964244444	-0.237650671 Hartree
249	C23 Ryd(3p)	0.000403564	0.497025948 Hartree
250	C23 Ryd(3d)	0.000879184	2.262584244 Hartree
251	C23 Ryd(3d)	0.000355686	1.685804969 Hartree
252	C23 Ryd(3d)	0.000368492	1.756745000 Hartree
253	C23 Ryd(3d)	0.000700165	2.230325638 Hartree
254	C23 Ryd(3d)	0.000434722	2.149783553 Hartree
255	C24 Cor(1S)	1.999152882	-10.202308505 Hartree
256	C24 Val(2S)	0.995666042	-0.333227586 Hartree
257	C24 Ryd(3S)	0.000497552	1.028392015 Hartree
258	C24 Ryd(4S)	0.000028177	3.919924932 Hartree
259	C24 Val(2p)	1.047953622	-0.172323154 Hartree
260	C24 Ryd(3p)	0.004043385	0.567544963 Hartree
261	C24 Val(2p)	1.207300393	-0.191513269 Hartree
262	C24 Ryd(3p)	0.005249483	0.988109669 Hartree
263	C24 Val(2p)	0.889279963	-0.236324080 Hartree
264	C24 Ryd(3p)	0.000321479	0.495708251 Hartree
265	C24 Ryd(3d)	0.000654719	2.228439550 Hartree
266	C24 Ryd(3d)	0.000497022	1.784959995 Hartree
267	C24 Ryd(3d)	0.000345768	1.647882374 Hartree
268	C24 Ryd(3d)	0.000956426	2.197511979 Hartree
269	C24 Ryd(3d)	0.000439062	2.125493554 Hartree
270	C25 Cor(1S)	1.999158252	-10.196475308 Hartree
271	C25 Val(2S)	0.987951262	-0.327049370 Hartree
272	C25 Ryd(3S)	0.000625869	1.079829456 Hartree
273	C25 Ryd(4S)	0.000022137	3.892589841 Hartree
274	C25 Val(2p)	1.169833652	-0.189275375 Hartree
275	C25 Ryd(3p)	0.005117743	0.884105627 Hartree
276	C25 Val(2p)	1.083380644	-0.174716063 Hartree
277	C25 Ryd(3p)	0.004501603	0.671395294 Hartree
278	C25 Val(2p)	0.964244444	-0.237650671 Hartree
279	C25 Ryd(3p)	0.000403564	0.497025948 Hartree
280	C25 Ryd(3d)	0.000879184	2.262584244 Hartree
281	C25 Ryd(3d)	0.000355686	1.685804969 Hartree
282	C25 Ryd(3d)	0.000368492	1.756745000 Hartree
283	C25 Ryd(3d)	0.000700165	2.230325638 Hartree
284	C25 Ryd(3d)	0.000434722	2.149783553 Hartree
285	C26 Cor(1S)	1.999002335	-10.192776980 Hartree
286	C26 Val(2S)	0.960460397	-0.293083495 Hartree
287	C26 Ryd(3S)	0.001435924	0.946300500 Hartree
288	C26 Ryd(4S)	0.000049573	4.039416525 Hartree
289	C26 Val(2p)	1.106526394	-0.148723971 Hartree
290	C26 Ryd(3p)	0.005073282	1.028144394 Hartree
291	C26 Val(2p)	1.076092763	-0.183029830 Hartree
292	C26 Ryd(3p)	0.003932225	0.890542722 Hartree
293	C26 Val(2p)	0.943653494	-0.249426839 Hartree
294	C26 Ryd(3p)	0.000484754	0.501633415 Hartree
295	C26 Ryd(3d)	0.000733799	2.323869430 Hartree
296	C26 Ryd(3d)	0.000308701	1.691762408 Hartree
297	C26 Ryd(3d)	0.000461513	1.740183323 Hartree
298	C26 Ryd(3d)	0.000562903	2.309446044 Hartree
299	C26 Ryd(3d)	0.000397221	2.172237309 Hartree
300	H27 Val(1S)	0.811329988	0.135140885 Hartree
301	H27 Ryd(2S)	0.003283338	0.620672873 Hartree
302	H28 Val(1S)	0.736308471	-0.018606835 Hartree
303	H28 Ryd(2S)	0.000645640	0.441526910 Hartree
304	H29 Val(1S)	0.735475661	-0.016134174 Hartree
305	H29 Ryd(2S)	0.000678964	0.447763582 Hartree
306	H30 Val(1S)	0.736308471	-0.018606835 Hartree
307	H30 Ryd(2S)	0.000645640	0.441526910 Hartree
308	H31 Val(1S)	0.811329988	0.135140885 Hartree
309	H31 Ryd(2S)	0.003283338	0.620672873 Hartree
310	H32 Val(1S)	0.811329988	0.135140885 Hartree
311	H32 Ryd(2S)	0.003283338	0.620672873 Hartree
312	H33 Val(1S)	0.736308471	-0.018606835 Hartree
313	H33 Ryd(2S)	0.000645640	0.441526910 Hartree
314	H34 Val(1S)	0.735475661	-0.016134174 Hartree
315	H34 Ryd(2S)	0.000678964	0.447763582 Hartree

Natural Hybrid Orbitals

Display Range		- / 315
Orbital	Description	Occupancy	Energy	Actions
1	BD(1)C1(C2) 1s(34.59%)p1.89(65.37%)d0.00(0.04%)	0.998009338	-0.201161854 Hartree
2	BD(1)C2(C1) 2s(34.49%)p1.90(65.47%)d0.00(0.04%)	1.000235935	-0.203036016 Hartree
3	BD(2)C1(C2) 1s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.889622278	-0.236320740 Hartree
4	BD(2)C2(C1) 2s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.964605792	-0.237832960 Hartree
5	BD(1)C1(C6) 1s(34.59%)p1.89(65.37%)d0.00(0.04%)	0.998009338	-0.201161854 Hartree
6	BD(1)C6(C1) 6s(34.49%)p1.90(65.47%)d0.00(0.04%)	1.000235935	-0.203036016 Hartree
7	BD(1)C1(H34) 1s(30.78%)p2.25(69.16%)d0.00(0.06%)	1.259190962	-0.277569402 Hartree
8	BD(1)H34(C1) 34s(100.00%)	0.735473754	-0.015268732 Hartree
9	BD(1)C2(C3) 2s(34.35%)p1.91(65.60%)d0.00(0.04%)	0.987432536	-0.193931955 Hartree
10	BD(1)C3(C2) 3s(35.10%)p1.85(64.87%)d0.00(0.03%)	1.006901231	-0.202244603 Hartree
11	BD(1)C2(H33) 2s(31.12%)p2.21(68.83%)d0.00(0.05%)	1.257507644	-0.277162368 Hartree
12	BD(1)H33(C2) 33s(100.00%)	0.736306879	-0.017823215 Hartree
13	BD(1)C3(C4) 3s(33.97%)p1.94(65.99%)d0.00(0.05%)	0.964399096	-0.192998857 Hartree
14	BD(1)C4(C3) 4s(35.30%)p1.83(64.66%)d0.00(0.04%)	1.034084121	-0.233415072 Hartree
15	BD(2)C3(C4) 3s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.943634040	-0.247550755 Hartree
16	BD(2)C4(C3) 4s(0.00%)p1.00(99.99%)d0.00(0.01%)	1.052812068	-0.258232990 Hartree
17	BD(1)C3(H32) 3s(30.89%)p2.24(69.07%)d0.00(0.04%)	1.175423799	-0.214741378 Hartree
18	BD(1)H32(C3) 32s(100.00%)	0.811236904	0.131106990 Hartree
19	BD(1)C4(C5) 4s(35.30%)p1.83(64.66%)d0.00(0.04%)	1.034084121	-0.233415072 Hartree
20	BD(1)C5(C4) 5s(33.97%)p1.94(65.99%)d0.00(0.05%)	0.964399096	-0.192998857 Hartree
21	BD(1)C4(C9) 4s(29.36%)p2.40(70.59%)d0.00(0.05%)	0.991760698	-0.261543735 Hartree
22	BD(1)C9(C4) 9s(33.32%)p2.00(66.63%)d0.00(0.05%)	1.012032038	-0.272717218 Hartree
23	BD(1)C5(C6) 5s(35.10%)p1.85(64.87%)d0.00(0.03%)	1.006901231	-0.202244603 Hartree
24	BD(1)C6(C5) 6s(34.35%)p1.91(65.60%)d0.00(0.04%)	0.987432536	-0.193931955 Hartree
25	BD(2)C5(C6) 5s(0.00%)p1.00(99.97%)d0.00(0.03%)	0.943771980	-0.248606372 Hartree
26	BD(2)C6(C5) 6s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.964604408	-0.237655807 Hartree
27	BD(1)C5(H8) 5s(30.89%)p2.24(69.07%)d0.00(0.04%)	1.175423799	-0.214741378 Hartree
28	BD(1)H8(C5) 8s(100.00%)	0.811236904	0.131106990 Hartree
29	BD(1)C6(H7) 6s(31.12%)p2.21(68.83%)d0.00(0.05%)	1.257507644	-0.277162368 Hartree
30	BD(1)H7(C6) 7s(100.00%)	0.736306879	-0.017823215 Hartree
31	BD(1)C9(C10) 9s(33.32%)p2.00(66.63%)d0.00(0.05%)	1.012032038	-0.272717218 Hartree
32	BD(1)C10(C9) 10s(29.36%)p2.40(70.59%)d0.00(0.05%)	0.991760698	-0.261543735 Hartree
33	BD(1)C9(C21) 9s(33.32%)p2.00(66.63%)d0.00(0.05%)	1.012032038	-0.272717218 Hartree
34	BD(1)C21(C9) 21s(29.36%)p2.40(70.59%)d0.00(0.05%)	0.991760698	-0.261543735 Hartree
35	BD(1)C10(C11) 10s(35.30%)p1.83(64.66%)d0.00(0.04%)	1.034084121	-0.233415072 Hartree
36	BD(1)C11(C10) 11s(33.97%)p1.94(65.99%)d0.00(0.05%)	0.964399096	-0.192998857 Hartree
37	BD(2)C10(C11) 10s(0.00%)p1.00(99.99%)d0.00(0.01%)	1.052812068	-0.258232990 Hartree
38	BD(2)C11(C10) 11s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.943634040	-0.247550755 Hartree
39	BD(1)C10(C15) 10s(35.30%)p1.83(64.66%)d0.00(0.04%)	1.034084121	-0.233415072 Hartree
40	BD(1)C15(C10) 15s(33.97%)p1.94(65.99%)d0.00(0.05%)	0.964399096	-0.192998857 Hartree
41	BD(1)C11(C12) 11s(35.10%)p1.85(64.87%)d0.00(0.03%)	1.006901231	-0.202244603 Hartree
42	BD(1)C12(C11) 12s(34.35%)p1.91(65.60%)d0.00(0.04%)	0.987432536	-0.193931955 Hartree
43	BD(1)C11(H20) 11s(30.89%)p2.24(69.07%)d0.00(0.04%)	1.175423799	-0.214741378 Hartree
44	BD(1)H20(C11) 20s(100.00%)	0.811236904	0.131106990 Hartree
45	BD(1)C12(C13) 12s(34.49%)p1.90(65.47%)d0.00(0.04%)	1.000235935	-0.203036016 Hartree
46	BD(1)C13(C12) 13s(34.59%)p1.89(65.37%)d0.00(0.04%)	0.998009338	-0.201161854 Hartree
47	BD(2)C12(C13) 12s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.964605792	-0.237832960 Hartree
48	BD(2)C13(C12) 13s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.889622278	-0.236320740 Hartree
49	BD(1)C12(H19) 12s(31.12%)p2.21(68.83%)d0.00(0.05%)	1.257507644	-0.277162368 Hartree
50	BD(1)H19(C12) 19s(100.00%)	0.736306879	-0.017823215 Hartree
51	BD(1)C13(C14) 13s(34.59%)p1.89(65.37%)d0.00(0.04%)	0.998009338	-0.201161854 Hartree
52	BD(1)C14(C13) 14s(34.49%)p1.90(65.47%)d0.00(0.04%)	1.000235935	-0.203036016 Hartree
53	BD(1)C13(H18) 13s(30.78%)p2.25(69.16%)d0.00(0.06%)	1.259190962	-0.277569402 Hartree
54	BD(1)H18(C13) 18s(100.00%)	0.735473754	-0.015268732 Hartree
55	BD(1)C14(C15) 14s(34.35%)p1.91(65.60%)d0.00(0.04%)	0.987432536	-0.193931955 Hartree
56	BD(1)C15(C14) 15s(35.10%)p1.85(64.87%)d0.00(0.03%)	1.006901231	-0.202244603 Hartree
57	BD(2)C14(C15) 14s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.964604408	-0.237655807 Hartree
58	BD(2)C15(C14) 15s(0.00%)p1.00(99.97%)d0.00(0.03%)	0.943771980	-0.248606372 Hartree
59	BD(1)C14(H17) 14s(31.12%)p2.21(68.83%)d0.00(0.05%)	1.257507644	-0.277162368 Hartree
60	BD(1)H17(C14) 17s(100.00%)	0.736306879	-0.017823215 Hartree
61	BD(1)C15(H16) 15s(30.89%)p2.24(69.07%)d0.00(0.04%)	1.175423799	-0.214741378 Hartree
62	BD(1)H16(C15) 16s(100.00%)	0.811236904	0.131106990 Hartree
63	BD(1)C21(C22) 21s(35.30%)p1.83(64.66%)d0.00(0.04%)	1.034084121	-0.233415072 Hartree
64	BD(1)C22(C21) 22s(33.97%)p1.94(65.99%)d0.00(0.05%)	0.964399096	-0.192998857 Hartree
65	BD(2)C21(C22) 21s(0.00%)p1.00(99.99%)d0.00(0.01%)	1.052812068	-0.258232990 Hartree
66	BD(2)C22(C21) 22s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.943634040	-0.247550755 Hartree
67	BD(1)C21(C26) 21s(35.30%)p1.83(64.66%)d0.00(0.04%)	1.034084121	-0.233415072 Hartree
68	BD(1)C26(C21) 26s(33.97%)p1.94(65.99%)d0.00(0.05%)	0.964399096	-0.192998857 Hartree
69	BD(1)C22(C23) 22s(35.10%)p1.85(64.87%)d0.00(0.03%)	1.006901231	-0.202244603 Hartree
70	BD(1)C23(C22) 23s(34.35%)p1.91(65.60%)d0.00(0.04%)	0.987432536	-0.193931955 Hartree
71	BD(1)C22(H31) 22s(30.89%)p2.24(69.07%)d0.00(0.04%)	1.175423799	-0.214741378 Hartree
72	BD(1)H31(C22) 31s(100.00%)	0.811236904	0.131106990 Hartree
73	BD(1)C23(C24) 23s(34.49%)p1.90(65.47%)d0.00(0.04%)	1.000235935	-0.203036016 Hartree
74	BD(1)C24(C23) 24s(34.59%)p1.89(65.37%)d0.00(0.04%)	0.998009338	-0.201161854 Hartree
75	BD(2)C23(C24) 23s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.964605792	-0.237832960 Hartree
76	BD(2)C24(C23) 24s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.889622278	-0.236320740 Hartree
77	BD(1)C23(H30) 23s(31.12%)p2.21(68.83%)d0.00(0.05%)	1.257507644	-0.277162368 Hartree
78	BD(1)H30(C23) 30s(100.00%)	0.736306879	-0.017823215 Hartree
79	BD(1)C24(C25) 24s(34.59%)p1.89(65.37%)d0.00(0.04%)	0.998009338	-0.201161854 Hartree
80	BD(1)C25(C24) 25s(34.49%)p1.90(65.47%)d0.00(0.04%)	1.000235935	-0.203036016 Hartree
81	BD(1)C24(H29) 24s(30.78%)p2.25(69.16%)d0.00(0.06%)	1.259190962	-0.277569402 Hartree
82	BD(1)H29(C24) 29s(100.00%)	0.735473754	-0.015268732 Hartree
83	BD(1)C25(C26) 25s(34.35%)p1.91(65.60%)d0.00(0.04%)	0.987432536	-0.193931955 Hartree
84	BD(1)C26(C25) 26s(35.10%)p1.85(64.87%)d0.00(0.03%)	1.006901231	-0.202244603 Hartree
85	BD(2)C25(C26) 25s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.964604408	-0.237655807 Hartree
86	BD(2)C26(C25) 26s(0.00%)p1.00(99.97%)d0.00(0.03%)	0.943771980	-0.248606372 Hartree
87	BD(1)C25(H28) 25s(31.12%)p2.21(68.83%)d0.00(0.05%)	1.257507644	-0.277162368 Hartree
88	BD(1)H28(C25) 28s(100.00%)	0.736306879	-0.017823215 Hartree
89	BD(1)C26(H27) 26s(30.89%)p2.24(69.07%)d0.00(0.04%)	1.175423799	-0.214741378 Hartree
90	BD(1)H27(C26) 27s(100.00%)	0.811236904	0.131106990 Hartree
91	CR(1)C1 s(100.00%)p0.00(0.00%)	1.999155221	-10.202647172 Hartree
92	CR(1)C2 s(100.00%)p0.00(0.00%)	1.999160797	-10.196783196 Hartree
93	CR(1)C3 s(100.00%)p0.00(0.00%)	1.998991724	-10.192438710 Hartree
94	CR(1)C4 s(100.00%)	1.999010643	-10.221889848 Hartree
95	CR(1)C5 s(100.00%)p0.00(0.00%)	1.998991724	-10.192438710 Hartree
96	CR(1)C6 s(100.00%)p0.00(0.00%)	1.999160797	-10.196783196 Hartree
97	CR(1)C9 s(100.00%)	1.999164250	-10.297001079 Hartree
98	CR(1)C10 s(100.00%)	1.999010643	-10.221889848 Hartree
99	CR(1)C11 s(100.00%)p0.00(0.00%)	1.998991724	-10.192438710 Hartree
100	CR(1)C12 s(100.00%)p0.00(0.00%)	1.999160797	-10.196783196 Hartree
101	CR(1)C13 s(100.00%)p0.00(0.00%)	1.999155221	-10.202647172 Hartree
102	CR(1)C14 s(100.00%)p0.00(0.00%)	1.999160797	-10.196783196 Hartree
103	CR(1)C15 s(100.00%)p0.00(0.00%)	1.998991724	-10.192438710 Hartree
104	CR(1)C21 s(100.00%)	1.999010643	-10.221889848 Hartree
105	CR(1)C22 s(100.00%)p0.00(0.00%)	1.998991724	-10.192438710 Hartree
106	CR(1)C23 s(100.00%)p0.00(0.00%)	1.999160797	-10.196783196 Hartree
107	CR(1)C24 s(100.00%)p0.00(0.00%)	1.999155221	-10.202647172 Hartree
108	CR(1)C25 s(100.00%)p0.00(0.00%)	1.999160797	-10.196783196 Hartree
109	CR(1)C26 s(100.00%)p0.00(0.00%)	1.998991724	-10.192438710 Hartree
110	LP*(1)C9 s(0.00%)p1.00(100.00%)	0.703116211	-0.273671732 Hartree
111	RY*(1)C1 s(0.43%)p99.99(91.69%)d18.22(7.88%)	0.004690859	1.141888667 Hartree
112	RY*(2)C1 s(0.00%)p1.00(98.54%)d0.01(1.46%)	0.002537255	0.586341514 Hartree
113	RY*(3)C1 s(0.00%)p1.00(0.23%)d99.99(99.77%)	0.000592217	1.781676622 Hartree
114	RY*(4)C1 s(0.00%)p1.00(85.96%)d0.16(14.04%)	0.000229400	0.626963617 Hartree
115	RY*(5)C1 s(95.20%)p0.00(0.05%)d0.05(4.75%)	0.000184633	0.935998838 Hartree
116	RY*(6)C1 s(0.00%)p1.00(1.51%)d65.10(98.49%)	0.000098781	2.196321331 Hartree
117	RY*(7)C1 s(56.09%)p0.01(0.29%)d0.78(43.61%)	0.000042479	3.304227102 Hartree
118	RY*(8)C1 s(1.81%)p4.20(7.62%)d49.95(90.56%)	0.000018470	1.942458012 Hartree
119	RY*(9)C1 s(0.00%)p1.00(13.86%)d6.22(86.14%)	0.000000337	1.519907042 Hartree
120	RY*(10)C1 s(46.50%)p0.01(0.39%)d1.14(53.11%)	0.000004406	2.931348967 Hartree
121	RY*(1)C2 s(0.60%)p99.99(92.22%)d11.95(7.18%)	0.005120834	1.137171898 Hartree
122	RY*(2)C2 s(0.41%)p99.99(98.39%)d2.88(1.20%)	0.002698494	0.585448092 Hartree
123	RY*(3)C2 s(0.00%)p1.00(2.20%)d44.36(97.80%)	0.000450350	1.761625019 Hartree
124	RY*(4)C2 s(0.00%)p1.00(87.34%)d0.14(12.66%)	0.000312729	0.617817988 Hartree
125	RY*(5)C2 s(94.02%)p0.00(0.37%)d0.06(5.62%)	0.000276671	1.077402247 Hartree
126	RY*(6)C2 s(2.39%)p0.71(1.69%)d40.06(95.91%)	0.000107522	2.201627879 Hartree
127	RY*(7)C2 s(37.73%)p0.05(1.72%)d1.60(60.55%)	0.000040705	2.975811085 Hartree
128	RY*(8)C2 s(2.11%)p1.90(4.00%)d44.60(93.90%)	0.000016762	1.986545747 Hartree
129	RY*(9)C2 s(62.78%)p0.03(1.72%)d0.57(35.51%)	0.000007334	3.190004124 Hartree
130	RY*(10)C2 s(0.00%)p1.00(10.50%)d8.53(89.50%)	0.000003316	1.560315199 Hartree
131	RY*(1)C3 s(2.07%)p45.36(93.73%)d2.04(4.21%)	0.005003727	1.166425480 Hartree
132	RY*(2)C3 s(0.13%)p99.99(97.71%)d16.36(2.16%)	0.002368963	0.868818038 Hartree
133	RY*(3)C3 s(90.68%)p0.01(1.18%)d0.09(8.14%)	0.000963557	1.006295354 Hartree
134	RY*(4)C3 s(0.00%)p1.00(42.80%)d1.34(57.20%)	0.000919334	1.221824088 Hartree
135	RY*(5)C3 s(0.00%)p1.00(45.88%)d1.18(54.12%)	0.000349376	1.155539551 Hartree
136	RY*(6)C3 s(5.93%)p0.29(1.71%)d15.57(92.35%)	0.000104441	2.250513502 Hartree
137	RY*(7)C3 s(74.28%)p0.00(0.03%)d0.35(25.68%)	0.000048760	3.631340885 Hartree
138	RY*(8)C3 s(1.55%)p3.60(5.60%)d59.72(92.85%)	0.000051239	2.180460268 Hartree
139	RY*(9)C3 s(0.00%)p1.00(11.35%)d7.81(88.65%)	0.000005711	1.554339423 Hartree
140	RY*(10)C3 s(25.40%)p0.00(0.11%)d2.93(74.49%)	0.000010279	2.590912669 Hartree
141	RY*(1)C4 s(3.29%)p27.01(88.95%)d2.36(7.76%)	0.005348208	1.210351502 Hartree
142	RY*(2)C4 s(0.00%)p1.00(96.59%)d0.04(3.41%)	0.004911528	1.106975304 Hartree
143	RY*(3)C4 s(0.00%)p1.00(0.10%)d99.99(99.90%)	0.000771264	1.761000129 Hartree
144	RY*(4)C4 s(94.41%)p0.05(4.62%)d0.01(0.97%)	0.000463833	0.958563342 Hartree
145	RY*(5)C4 s(0.00%)p1.00(88.55%)d0.13(11.45%)	0.000302399	0.684194318 Hartree
146	RY*(6)C4 s(0.00%)p1.00(11.36%)d7.80(88.64%)	0.000270805	1.595372671 Hartree
147	RY*(7)C4 s(0.00%)p1.00(3.44%)d28.03(96.56%)	0.000135102	2.288810184 Hartree
148	RY*(8)C4 s(2.27%)p2.85(6.47%)d40.16(91.26%)	0.000095050	2.171670252 Hartree
149	RY*(9)C4 s(82.68%)p0.00(0.01%)d0.21(17.31%)	0.000052499	3.766616498 Hartree
150	RY*(10)C4 s(17.39%)p0.00(0.00%)d4.75(82.61%)	0.000015877	2.516874755 Hartree
151	RY*(1)C5 s(2.07%)p45.36(93.73%)d2.04(4.21%)	0.005003727	1.166425480 Hartree
152	RY*(2)C5 s(0.13%)p99.99(97.71%)d16.36(2.16%)	0.002368963	0.868818038 Hartree
153	RY*(3)C5 s(90.68%)p0.01(1.18%)d0.09(8.14%)	0.000963557	1.006295354 Hartree
154	RY*(4)C5 s(0.00%)p1.00(39.54%)d1.53(60.46%)	0.000756026	1.266385589 Hartree
155	RY*(5)C5 s(0.00%)p1.00(49.12%)d1.04(50.88%)	0.000374745	1.112379612 Hartree
156	RY*(6)C5 s(5.93%)p0.29(1.71%)d15.57(92.35%)	0.000104441	2.250513502 Hartree
157	RY*(7)C5 s(74.20%)p0.00(0.03%)d0.35(25.77%)	0.000048603	3.630885880 Hartree
158	RY*(8)C5 s(1.64%)p3.42(5.60%)d56.60(92.76%)	0.000051396	2.180915274 Hartree
159	RY*(9)C5 s(0.00%)p1.00(11.37%)d7.79(88.63%)	0.000005711	1.553993478 Hartree
160	RY*(10)C5 s(25.40%)p0.00(0.11%)d2.93(74.49%)	0.000010279	2.590912668 Hartree
161	RY*(1)C6 s(0.60%)p99.99(92.22%)d11.95(7.18%)	0.005120834	1.137171898 Hartree
162	RY*(2)C6 s(0.41%)p99.99(98.39%)d2.88(1.20%)	0.002698494	0.585448092 Hartree
163	RY*(3)C6 s(0.00%)p1.00(12.16%)d7.22(87.84%)	0.000461342	1.630597782 Hartree
164	RY*(4)C6 s(0.00%)p1.00(77.42%)d0.29(22.58%)	0.000303123	0.748199488 Hartree
165	RY*(5)C6 s(94.02%)p0.00(0.37%)d0.06(5.62%)	0.000276671	1.077402248 Hartree
166	RY*(6)C6 s(2.39%)p0.71(1.69%)d40.06(95.91%)	0.000107522	2.201627879 Hartree
167	RY*(7)C6 s(37.73%)p0.05(1.72%)d1.60(60.55%)	0.000040705	2.975811086 Hartree
168	RY*(8)C6 s(49.79%)p0.00(0.00%)d1.01(50.21%)	0.000008768	3.051073398 Hartree
169	RY*(9)C6 s(15.10%)p0.38(5.71%)d5.25(79.19%)	0.000015328	2.125476472 Hartree
170	RY*(10)C6 s(0.00%)p1.00(10.45%)d8.57(89.55%)	0.000003315	1.560783783 Hartree
171	RY*(1)H7 s(100.00%)	0.000647232	0.440743290 Hartree
172	RY*(1)H8 s(100.00%)	0.003376423	0.624706768 Hartree
173	RY*(1)C9 s(0.00%)p1.00(95.11%)d0.05(4.89%)	0.004769166	1.158194275 Hartree
174	RY*(2)C9 s(0.00%)p1.00(95.11%)d0.05(4.89%)	0.004769166	1.158194275 Hartree
175	RY*(3)C9 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000608413	1.680855110 Hartree
176	RY*(4)C9 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000608413	1.680855110 Hartree
177	RY*(5)C9 s(95.84%)p0.00(0.00%)d0.04(4.16%)	0.000231515	0.884595301 Hartree
178	RY*(6)C9 s(0.00%)p1.00(100.00%)	0.000180766	0.530290965 Hartree
179	RY*(7)C9 s(0.00%)p1.00(4.94%)d19.23(95.06%)	0.000065121	2.152911967 Hartree
180	RY*(8)C9 s(0.00%)p1.00(4.94%)d19.23(95.06%)	0.000065121	2.152911967 Hartree
181	RY*(9)C9 s(32.12%)p0.00(0.00%)d2.11(67.88%)	0.000026508	2.689082522 Hartree
182	RY*(10)C9 s(72.08%)p0.00(0.00%)d0.39(27.92%)	0.000001981	3.519105638 Hartree
183	RY*(1)C10 s(3.29%)p27.01(88.95%)d2.36(7.76%)	0.005348208	1.210351502 Hartree
184	RY*(2)C10 s(0.00%)p1.00(96.59%)d0.04(3.41%)	0.004911528	1.106975304 Hartree
185	RY*(3)C10 s(0.00%)p1.00(0.10%)d99.99(99.90%)	0.000771264	1.761000129 Hartree
186	RY*(4)C10 s(94.41%)p0.05(4.62%)d0.01(0.97%)	0.000463833	0.958563342 Hartree
187	RY*(5)C10 s(0.00%)p1.00(88.55%)d0.13(11.45%)	0.000302399	0.684194318 Hartree
188	RY*(6)C10 s(0.00%)p1.00(11.36%)d7.80(88.64%)	0.000270805	1.595372671 Hartree
189	RY*(7)C10 s(0.00%)p1.00(3.44%)d28.03(96.56%)	0.000135102	2.288810184 Hartree
190	RY*(8)C10 s(2.27%)p2.85(6.47%)d40.16(91.26%)	0.000095050	2.171670252 Hartree
191	RY*(9)C10 s(82.68%)p0.00(0.01%)d0.21(17.31%)	0.000052499	3.766616497 Hartree
192	RY*(10)C10 s(17.39%)p0.00(0.00%)d4.75(82.61%)	0.000015877	2.516874756 Hartree
193	RY*(1)C11 s(2.07%)p45.36(93.73%)d2.04(4.21%)	0.005003727	1.166425480 Hartree
194	RY*(2)C11 s(0.13%)p99.99(97.71%)d16.36(2.16%)	0.002368963	0.868818038 Hartree
195	RY*(3)C11 s(90.68%)p0.01(1.18%)d0.09(8.14%)	0.000963557	1.006295354 Hartree
196	RY*(4)C11 s(0.00%)p1.00(42.80%)d1.34(57.20%)	0.000919334	1.221824088 Hartree
197	RY*(5)C11 s(0.00%)p1.00(45.88%)d1.18(54.12%)	0.000349376	1.155539551 Hartree
198	RY*(6)C11 s(5.93%)p0.29(1.71%)d15.57(92.35%)	0.000104441	2.250513502 Hartree
199	RY*(7)C11 s(74.20%)p0.00(0.03%)d0.35(25.77%)	0.000048603	3.630886137 Hartree
200	RY*(8)C11 s(1.64%)p3.42(5.60%)d56.61(92.76%)	0.000051395	2.180915017 Hartree
201	RY*(9)C11 s(0.00%)p1.00(11.35%)d7.81(88.65%)	0.000005711	1.554339423 Hartree
202	RY*(10)C11 s(25.40%)p0.00(0.11%)d2.93(74.49%)	0.000010279	2.590912668 Hartree
203	RY*(1)C12 s(0.60%)p99.99(92.22%)d11.95(7.18%)	0.005120834	1.137171898 Hartree
204	RY*(2)C12 s(0.41%)p99.99(98.39%)d2.88(1.20%)	0.002698494	0.585448092 Hartree
205	RY*(3)C12 s(0.00%)p1.00(2.20%)d44.36(97.80%)	0.000450350	1.761625019 Hartree
206	RY*(4)C12 s(0.00%)p1.00(87.34%)d0.14(12.66%)	0.000312729	0.617817988 Hartree
207	RY*(5)C12 s(94.02%)p0.00(0.37%)d0.06(5.62%)	0.000276671	1.077402247 Hartree
208	RY*(6)C12 s(2.39%)p0.71(1.69%)d40.06(95.91%)	0.000107522	2.201627879 Hartree
209	RY*(7)C12 s(37.73%)p0.05(1.72%)d1.60(60.55%)	0.000040705	2.975811087 Hartree
210	RY*(8)C12 s(49.78%)p0.00(0.00%)d1.01(50.21%)	0.000008768	3.051033317 Hartree
211	RY*(9)C12 s(15.10%)p0.38(5.71%)d5.24(79.19%)	0.000015328	2.125516552 Hartree
212	RY*(10)C12 s(0.00%)p1.00(10.50%)d8.53(89.50%)	0.000003316	1.560315199 Hartree
213	RY*(1)C13 s(0.43%)p99.99(91.69%)d18.22(7.88%)	0.004690859	1.141888667 Hartree
214	RY*(2)C13 s(0.00%)p1.00(98.54%)d0.01(1.46%)	0.002537255	0.586341514 Hartree
215	RY*(3)C13 s(0.00%)p1.00(0.23%)d99.99(99.77%)	0.000592217	1.781676622 Hartree
216	RY*(4)C13 s(0.00%)p1.00(85.96%)d0.16(14.04%)	0.000229400	0.626963617 Hartree
217	RY*(5)C13 s(95.20%)p0.00(0.05%)d0.05(4.75%)	0.000184633	0.935998838 Hartree
218	RY*(6)C13 s(0.00%)p1.00(1.51%)d65.10(98.49%)	0.000098781	2.196321331 Hartree
219	RY*(7)C13 s(56.09%)p0.01(0.29%)d0.78(43.61%)	0.000042479	3.304227102 Hartree
220	RY*(8)C13 s(1.81%)p4.20(7.62%)d49.95(90.56%)	0.000018470	1.942458012 Hartree
221	RY*(9)C13 s(0.00%)p1.00(13.86%)d6.22(86.14%)	0.000000337	1.519907042 Hartree
222	RY*(10)C13 s(46.50%)p0.01(0.39%)d1.14(53.11%)	0.000004406	2.931348966 Hartree
223	RY*(1)C14 s(0.60%)p99.99(92.22%)d11.95(7.18%)	0.005120834	1.137171898 Hartree
224	RY*(2)C14 s(0.41%)p99.99(98.39%)d2.88(1.20%)	0.002698494	0.585448092 Hartree
225	RY*(3)C14 s(0.00%)p1.00(12.16%)d7.22(87.84%)	0.000461342	1.630597782 Hartree
226	RY*(4)C14 s(0.00%)p1.00(77.42%)d0.29(22.58%)	0.000303123	0.748199488 Hartree
227	RY*(5)C14 s(94.02%)p0.00(0.37%)d0.06(5.62%)	0.000276671	1.077402247 Hartree
228	RY*(6)C14 s(2.39%)p0.71(1.69%)d40.06(95.91%)	0.000107522	2.201627879 Hartree
229	RY*(7)C14 s(37.73%)p0.05(1.72%)d1.60(60.55%)	0.000040705	2.975811087 Hartree
230	RY*(8)C14 s(2.11%)p1.90(4.00%)d44.60(93.90%)	0.000016762	1.986545747 Hartree
231	RY*(9)C14 s(62.78%)p0.03(1.72%)d0.57(35.51%)	0.000007334	3.190004122 Hartree
232	RY*(10)C14 s(0.00%)p1.00(10.45%)d8.57(89.55%)	0.000003315	1.560783783 Hartree
233	RY*(1)C15 s(2.07%)p45.36(93.73%)d2.04(4.21%)	0.005003727	1.166425480 Hartree
234	RY*(2)C15 s(0.13%)p99.99(97.71%)d16.36(2.16%)	0.002368963	0.868818038 Hartree
235	RY*(3)C15 s(90.68%)p0.01(1.18%)d0.09(8.14%)	0.000963557	1.006295354 Hartree
236	RY*(4)C15 s(0.00%)p1.00(39.54%)d1.53(60.46%)	0.000756026	1.266385589 Hartree
237	RY*(5)C15 s(0.00%)p1.00(49.12%)d1.04(50.88%)	0.000374745	1.112379612 Hartree
238	RY*(6)C15 s(5.93%)p0.29(1.71%)d15.57(92.35%)	0.000104441	2.250513502 Hartree
239	RY*(7)C15 s(74.31%)p0.00(0.03%)d0.35(25.66%)	0.000048808	3.631436606 Hartree
240	RY*(8)C15 s(1.53%)p3.65(5.60%)d60.66(92.87%)	0.000051190	2.180364548 Hartree
241	RY*(9)C15 s(0.00%)p1.00(11.37%)d7.79(88.63%)	0.000005711	1.553993478 Hartree
242	RY*(10)C15 s(25.40%)p0.00(0.11%)d2.93(74.49%)	0.000010279	2.590912668 Hartree
243	RY*(1)H16 s(100.00%)	0.003376423	0.624706768 Hartree
244	RY*(1)H17 s(100.00%)	0.000647232	0.440743290 Hartree
245	RY*(1)H18 s(100.00%)	0.000680871	0.446898140 Hartree
246	RY*(1)H19 s(100.00%)	0.000647232	0.440743290 Hartree
247	RY*(1)H20 s(100.00%)	0.003376423	0.624706768 Hartree
248	RY*(1)C21 s(3.29%)p27.01(88.95%)d2.36(7.76%)	0.005348208	1.210351502 Hartree
249	RY*(2)C21 s(0.00%)p1.00(96.59%)d0.04(3.41%)	0.004911528	1.106975304 Hartree
250	RY*(3)C21 s(0.00%)p1.00(0.10%)d99.99(99.90%)	0.000771264	1.761000129 Hartree
251	RY*(4)C21 s(94.41%)p0.05(4.62%)d0.01(0.97%)	0.000463833	0.958563342 Hartree
252	RY*(5)C21 s(0.00%)p1.00(88.55%)d0.13(11.45%)	0.000302399	0.684194318 Hartree
253	RY*(6)C21 s(0.00%)p1.00(11.36%)d7.80(88.64%)	0.000270805	1.595372671 Hartree
254	RY*(7)C21 s(0.00%)p1.00(3.44%)d28.03(96.56%)	0.000135102	2.288810184 Hartree
255	RY*(8)C21 s(2.27%)p2.85(6.47%)d40.16(91.26%)	0.000095050	2.171670252 Hartree
256	RY*(9)C21 s(82.68%)p0.00(0.01%)d0.21(17.31%)	0.000052499	3.766616499 Hartree
257	RY*(10)C21 s(17.39%)p0.00(0.00%)d4.75(82.61%)	0.000015877	2.516874754 Hartree
258	RY*(1)C22 s(2.07%)p45.36(93.73%)d2.04(4.21%)	0.005003727	1.166425480 Hartree
259	RY*(2)C22 s(0.13%)p99.99(97.71%)d16.36(2.16%)	0.002368963	0.868818038 Hartree
260	RY*(3)C22 s(90.68%)p0.01(1.18%)d0.09(8.14%)	0.000963557	1.006295354 Hartree
261	RY*(4)C22 s(0.00%)p1.00(42.80%)d1.34(57.20%)	0.000919334	1.221824088 Hartree
262	RY*(5)C22 s(0.00%)p1.00(45.88%)d1.18(54.12%)	0.000349376	1.155539551 Hartree
263	RY*(6)C22 s(5.93%)p0.29(1.71%)d15.57(92.35%)	0.000104441	2.250513502 Hartree
264	RY*(7)C22 s(37.46%)p0.09(3.28%)d1.58(59.26%)	0.000059119	2.826995765 Hartree
265	RY*(8)C22 s(38.37%)p0.06(2.35%)d1.54(59.27%)	0.000040879	2.984805388 Hartree
266	RY*(9)C22 s(0.00%)p1.00(11.35%)d7.81(88.65%)	0.000005711	1.554339423 Hartree
267	RY*(10)C22 s(25.40%)p0.00(0.11%)d2.93(74.49%)	0.000010279	2.590912669 Hartree
268	RY*(1)C23 s(0.60%)p99.99(92.22%)d11.95(7.18%)	0.005120834	1.137171898 Hartree
269	RY*(2)C23 s(0.41%)p99.99(98.39%)d2.88(1.20%)	0.002698494	0.585448092 Hartree
270	RY*(3)C23 s(0.00%)p1.00(2.20%)d44.36(97.80%)	0.000450350	1.761625019 Hartree
271	RY*(4)C23 s(0.00%)p1.00(87.34%)d0.14(12.66%)	0.000312729	0.617817988 Hartree
272	RY*(5)C23 s(94.02%)p0.00(0.37%)d0.06(5.62%)	0.000276671	1.077402248 Hartree
273	RY*(6)C23 s(2.39%)p0.71(1.69%)d40.06(95.91%)	0.000107522	2.201627879 Hartree
274	RY*(7)C23 s(37.73%)p0.05(1.72%)d1.60(60.55%)	0.000040705	2.975811087 Hartree
275	RY*(8)C23 s(49.78%)p0.00(0.00%)d1.01(50.21%)	0.000008768	3.051025083 Hartree
276	RY*(9)C23 s(15.10%)p0.38(5.71%)d5.24(79.19%)	0.000015328	2.125524786 Hartree
277	RY*(10)C23 s(0.00%)p1.00(10.50%)d8.53(89.50%)	0.000003316	1.560315199 Hartree
278	RY*(1)C24 s(0.43%)p99.99(91.69%)d18.22(7.88%)	0.004690859	1.141888667 Hartree
279	RY*(2)C24 s(0.00%)p1.00(98.54%)d0.01(1.46%)	0.002537255	0.586341514 Hartree
280	RY*(3)C24 s(0.00%)p1.00(0.23%)d99.99(99.77%)	0.000592217	1.781676622 Hartree
281	RY*(4)C24 s(0.00%)p1.00(85.96%)d0.16(14.04%)	0.000229400	0.626963617 Hartree
282	RY*(5)C24 s(95.20%)p0.00(0.05%)d0.05(4.75%)	0.000184633	0.935998838 Hartree
283	RY*(6)C24 s(0.00%)p1.00(1.51%)d65.10(98.49%)	0.000098781	2.196321331 Hartree
284	RY*(7)C24 s(56.09%)p0.01(0.29%)d0.78(43.61%)	0.000042479	3.304227102 Hartree
285	RY*(8)C24 s(1.81%)p4.20(7.62%)d49.95(90.56%)	0.000018470	1.942458012 Hartree
286	RY*(9)C24 s(0.00%)p1.00(13.86%)d6.22(86.14%)	0.000000337	1.519907042 Hartree
287	RY*(10)C24 s(46.50%)p0.01(0.39%)d1.14(53.11%)	0.000004406	2.931348967 Hartree
288	RY*(1)C25 s(0.60%)p99.99(92.22%)d11.95(7.18%)	0.005120834	1.137171898 Hartree
289	RY*(2)C25 s(0.41%)p99.99(98.39%)d2.88(1.20%)	0.002698494	0.585448092 Hartree
290	RY*(3)C25 s(0.00%)p1.00(12.16%)d7.22(87.84%)	0.000461342	1.630597782 Hartree
291	RY*(4)C25 s(0.00%)p1.00(77.42%)d0.29(22.58%)	0.000303123	0.748199488 Hartree
292	RY*(5)C25 s(94.02%)p0.00(0.37%)d0.06(5.62%)	0.000276671	1.077402248 Hartree
293	RY*(6)C25 s(2.39%)p0.71(1.69%)d40.06(95.91%)	0.000107522	2.201627879 Hartree
294	RY*(7)C25 s(37.73%)p0.05(1.72%)d1.60(60.55%)	0.000040705	2.975811087 Hartree
295	RY*(8)C25 s(49.78%)p0.00(0.00%)d1.01(50.21%)	0.000008768	3.051025084 Hartree
296	RY*(9)C25 s(15.10%)p0.38(5.71%)d5.24(79.19%)	0.000015328	2.125524785 Hartree
297	RY*(10)C25 s(0.00%)p1.00(10.45%)d8.57(89.55%)	0.000003315	1.560783783 Hartree
298	RY*(1)C26 s(2.07%)p45.36(93.73%)d2.04(4.21%)	0.005003727	1.166425480 Hartree
299	RY*(2)C26 s(0.13%)p99.99(97.71%)d16.36(2.16%)	0.002368963	0.868818038 Hartree
300	RY*(3)C26 s(90.68%)p0.01(1.18%)d0.09(8.14%)	0.000963557	1.006295354 Hartree
301	RY*(4)C26 s(0.00%)p1.00(39.54%)d1.53(60.46%)	0.000756026	1.266385589 Hartree
302	RY*(5)C26 s(0.00%)p1.00(49.12%)d1.04(50.88%)	0.000374745	1.112379612 Hartree
303	RY*(6)C26 s(5.93%)p0.29(1.71%)d15.57(92.35%)	0.000104441	2.250513502 Hartree
304	RY*(7)C26 s(37.46%)p0.09(3.28%)d1.58(59.26%)	0.000059119	2.826995765 Hartree
305	RY*(8)C26 s(38.37%)p0.06(2.35%)d1.54(59.27%)	0.000040879	2.984805388 Hartree
306	RY*(9)C26 s(0.00%)p1.00(11.37%)d7.79(88.63%)	0.000005711	1.553993478 Hartree
307	RY*(10)C26 s(25.40%)p0.00(0.11%)d2.93(74.49%)	0.000010279	2.590912669 Hartree
308	RY*(1)H27 s(100.00%)	0.003376423	0.624706768 Hartree
309	RY*(1)H28 s(100.00%)	0.000647232	0.440743290 Hartree
310	RY*(1)H29 s(100.00%)	0.000680871	0.446898140 Hartree
311	RY*(1)H30 s(100.00%)	0.000647232	0.440743290 Hartree
312	RY*(1)H31 s(100.00%)	0.003376423	0.624706768 Hartree
313	RY*(1)H32 s(100.00%)	0.003376423	0.624706768 Hartree
314	RY*(1)H33 s(100.00%)	0.000647232	0.440743290 Hartree
315	RY*(1)H34 s(100.00%)	0.000680871	0.446898140 Hartree

Natural Bond Orbitals

Display Range		- / 315
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	BD(1)C1-C2	2491, 2492	1.984203136	-0.809678784 Hartree
2	BD(2)C1-C2	2493, 2494	1.567782230	-0.370166049 Hartree
3	BD(1)C1-C6	2495, 2496	1.984203136	-0.809678784 Hartree
4	BD(1)C1-H34	2497, 2498	1.984285372	-0.649715047 Hartree
5	BD(1)C2-C3	2499, 2500	1.980121990	-0.807393598 Hartree
6	BD(1)C2-H33	2501, 2502	1.983651244	-0.648642214 Hartree
7	BD(1)C3-C4	2503, 2504	1.978425749	-0.826535213 Hartree
8	BD(2)C3-C4	2505, 2506	1.582336475	-0.386010833 Hartree
9	BD(1)C3-H32	2507, 2508	1.900499638	-0.641913038 Hartree
10	BD(1)C4-C5	2509, 2510	1.978425749	-0.826535213 Hartree
11	BD(1)C4-C9	2511, 2512	1.981357900	-0.785570362 Hartree
12	BD(1)C5-C6	2513, 2514	1.980121990	-0.807393598 Hartree
13	BD(2)C5-C6	2515, 2516	1.646945102	-0.377011709 Hartree
14	BD(1)C5-H8	2517, 2518	1.900499638	-0.641913038 Hartree
15	BD(1)C6-H7	2519, 2520	1.983651243	-0.648642214 Hartree
16	BD(1)C9-C10	2521, 2522	1.981357900	-0.785570362 Hartree
17	BD(1)C9-C21	2523, 2524	1.981357901	-0.785570362 Hartree
18	BD(1)C10-C11	2525, 2526	1.978425749	-0.826535213 Hartree
19	BD(2)C10-C11	2527, 2528	1.582336475	-0.386010833 Hartree
20	BD(1)C10-C15	2529, 2530	1.978425749	-0.826535213 Hartree
21	BD(1)C11-C12	2531, 2532	1.980121990	-0.807393598 Hartree
22	BD(1)C11-H20	2533, 2534	1.900499638	-0.641913038 Hartree
23	BD(1)C12-C13	2535, 2536	1.984203136	-0.809678784 Hartree
24	BD(2)C12-C13	2537, 2538	1.567782230	-0.370166049 Hartree
25	BD(1)C12-H19	2539, 2540	1.983651244	-0.648642214 Hartree
26	BD(1)C13-C14	2541, 2542	1.984203136	-0.809678784 Hartree
27	BD(1)C13-H18	2543, 2544	1.984285372	-0.649715047 Hartree
28	BD(1)C14-C15	2545, 2546	1.980121991	-0.807393598 Hartree
29	BD(2)C14-C15	2547, 2548	1.646945102	-0.377011709 Hartree
30	BD(1)C14-H17	2549, 2550	1.983651244	-0.648642214 Hartree
31	BD(1)C15-H16	2551, 2552	1.900499637	-0.641913038 Hartree
32	BD(1)C21-C22	2553, 2554	1.978425749	-0.826535213 Hartree
33	BD(2)C21-C22	2555, 2556	1.582336475	-0.386010833 Hartree
34	BD(1)C21-C26	2557, 2558	1.978425749	-0.826535213 Hartree
35	BD(1)C22-C23	2559, 2560	1.980121990	-0.807393598 Hartree
36	BD(1)C22-H31	2561, 2562	1.900499638	-0.641913038 Hartree
37	BD(1)C23-C24	2563, 2564	1.984203136	-0.809678784 Hartree
38	BD(2)C23-C24	2565, 2566	1.567782230	-0.370166049 Hartree
39	BD(1)C23-H30	2567, 2568	1.983651244	-0.648642214 Hartree
40	BD(1)C24-C25	2569, 2570	1.984203136	-0.809678784 Hartree
41	BD(1)C24-H29	2571, 2572	1.984285372	-0.649715047 Hartree
42	BD(1)C25-C26	2573, 2574	1.980121991	-0.807393598 Hartree
43	BD(2)C25-C26	2575, 2576	1.646945102	-0.377011709 Hartree
44	BD(1)C25-H28	2577, 2578	1.983651244	-0.648642214 Hartree
45	BD(1)C26-H27	2579, 2580	1.900499637	-0.641913038 Hartree
46	CR(1)C1	2581	1.999155221	-10.202647172 Hartree
47	CR(1)C2	2582	1.999160797	-10.196783196 Hartree
48	CR(1)C3	2583	1.998991724	-10.192438710 Hartree
49	CR(1)C4	2584	1.999010643	-10.221889848 Hartree
50	CR(1)C5	2585	1.998991724	-10.192438710 Hartree
51	CR(1)C6	2586	1.999160797	-10.196783196 Hartree
52	CR(1)C9	2587	1.999164250	-10.297001079 Hartree
53	CR(1)C10	2588	1.999010643	-10.221889848 Hartree
54	CR(1)C11	2589	1.998991724	-10.192438710 Hartree
55	CR(1)C12	2590	1.999160797	-10.196783196 Hartree
56	CR(1)C13	2591	1.999155221	-10.202647172 Hartree
57	CR(1)C14	2592	1.999160797	-10.196783196 Hartree
58	CR(1)C15	2593	1.998991724	-10.192438710 Hartree
59	CR(1)C21	2594	1.999010643	-10.221889848 Hartree
60	CR(1)C22	2595	1.998991724	-10.192438710 Hartree
61	CR(1)C23	2596	1.999160797	-10.196783196 Hartree
62	CR(1)C24	2597	1.999155221	-10.202647172 Hartree
63	CR(1)C25	2598	1.999160797	-10.196783196 Hartree
64	CR(1)C26	2599	1.998991724	-10.192438710 Hartree
65	LP*(1)C9	2600	0.703116211	-0.273671732 Hartree
66	RY*(1)C1	2601	0.004690859	1.141888667 Hartree
67	RY*(2)C1	2602	0.002537255	0.586341514 Hartree
68	RY*(3)C1	2603	0.000592217	1.781676622 Hartree
69	RY*(4)C1	2604	0.000229400	0.626963617 Hartree
70	RY*(5)C1	2605	0.000184633	0.935998838 Hartree
71	RY*(6)C1	2606	0.000098781	2.196321331 Hartree
72	RY*(7)C1	2607	0.000042479	3.304227102 Hartree
73	RY*(8)C1	2608	0.000018470	1.942458012 Hartree
74	RY*(9)C1	2609	0.000000337	1.519907042 Hartree
75	RY*(10)C1	2610	0.000004406	2.931348967 Hartree
76	RY*(1)C2	2611	0.005120834	1.137171898 Hartree
77	RY*(2)C2	2612	0.002698494	0.585448092 Hartree
78	RY*(3)C2	2613	0.000450350	1.761625019 Hartree
79	RY*(4)C2	2614	0.000312729	0.617817988 Hartree
80	RY*(5)C2	2615	0.000276671	1.077402247 Hartree
81	RY*(6)C2	2616	0.000107522	2.201627879 Hartree
82	RY*(7)C2	2617	0.000040705	2.975811085 Hartree
83	RY*(8)C2	2618	0.000016762	1.986545747 Hartree
84	RY*(9)C2	2619	0.000007334	3.190004124 Hartree
85	RY*(10)C2	2620	0.000003316	1.560315199 Hartree
86	RY*(1)C3	2621	0.005003727	1.166425480 Hartree
87	RY*(2)C3	2622	0.002368963	0.868818038 Hartree
88	RY*(3)C3	2623	0.000963557	1.006295354 Hartree
89	RY*(4)C3	2624	0.000919334	1.221824088 Hartree
90	RY*(5)C3	2625	0.000349376	1.155539551 Hartree
91	RY*(6)C3	2626	0.000104441	2.250513502 Hartree
92	RY*(7)C3	2627	0.000048760	3.631340885 Hartree
93	RY*(8)C3	2628	0.000051239	2.180460268 Hartree
94	RY*(9)C3	2629	0.000005711	1.554339423 Hartree
95	RY*(10)C3	2630	0.000010279	2.590912669 Hartree
96	RY*(1)C4	2631	0.005348208	1.210351502 Hartree
97	RY*(2)C4	2632	0.004911528	1.106975304 Hartree
98	RY*(3)C4	2633	0.000771264	1.761000129 Hartree
99	RY*(4)C4	2634	0.000463833	0.958563342 Hartree
100	RY*(5)C4	2635	0.000302399	0.684194318 Hartree
101	RY*(6)C4	2636	0.000270805	1.595372671 Hartree
102	RY*(7)C4	2637	0.000135102	2.288810184 Hartree
103	RY*(8)C4	2638	0.000095050	2.171670252 Hartree
104	RY*(9)C4	2639	0.000052499	3.766616498 Hartree
105	RY*(10)C4	2640	0.000015877	2.516874755 Hartree
106	RY*(1)C5	2641	0.005003727	1.166425480 Hartree
107	RY*(2)C5	2642	0.002368963	0.868818038 Hartree
108	RY*(3)C5	2643	0.000963557	1.006295354 Hartree
109	RY*(4)C5	2644	0.000756026	1.266385589 Hartree
110	RY*(5)C5	2645	0.000374745	1.112379612 Hartree
111	RY*(6)C5	2646	0.000104441	2.250513502 Hartree
112	RY*(7)C5	2647	0.000048603	3.630885880 Hartree
113	RY*(8)C5	2648	0.000051396	2.180915274 Hartree
114	RY*(9)C5	2649	0.000005711	1.553993478 Hartree
115	RY*(10)C5	2650	0.000010279	2.590912668 Hartree
116	RY*(1)C6	2651	0.005120834	1.137171898 Hartree
117	RY*(2)C6	2652	0.002698494	0.585448092 Hartree
118	RY*(3)C6	2653	0.000461342	1.630597782 Hartree
119	RY*(4)C6	2654	0.000303123	0.748199488 Hartree
120	RY*(5)C6	2655	0.000276671	1.077402248 Hartree
121	RY*(6)C6	2656	0.000107522	2.201627879 Hartree
122	RY*(7)C6	2657	0.000040705	2.975811086 Hartree
123	RY*(8)C6	2658	0.000008768	3.051073398 Hartree
124	RY*(9)C6	2659	0.000015328	2.125476472 Hartree
125	RY*(10)C6	2660	0.000003315	1.560783783 Hartree
126	RY*(1)H7	2661	0.000647232	0.440743290 Hartree
127	RY*(1)H8	2662	0.003376423	0.624706768 Hartree
128	RY*(1)C9	2663	0.004769166	1.158194275 Hartree
129	RY*(2)C9	2664	0.004769166	1.158194275 Hartree
130	RY*(3)C9	2665	0.000608413	1.680855110 Hartree
131	RY*(4)C9	2666	0.000608413	1.680855110 Hartree
132	RY*(5)C9	2667	0.000231515	0.884595301 Hartree
133	RY*(6)C9	2668	0.000180766	0.530290965 Hartree
134	RY*(7)C9	2669	0.000065121	2.152911967 Hartree
135	RY*(8)C9	2670	0.000065121	2.152911967 Hartree
136	RY*(9)C9	2671	0.000026508	2.689082522 Hartree
137	RY*(10)C9	2672	0.000001981	3.519105638 Hartree
138	RY*(1)C10	2673	0.005348208	1.210351502 Hartree
139	RY*(2)C10	2674	0.004911528	1.106975304 Hartree
140	RY*(3)C10	2675	0.000771264	1.761000129 Hartree
141	RY*(4)C10	2676	0.000463833	0.958563342 Hartree
142	RY*(5)C10	2677	0.000302399	0.684194318 Hartree
143	RY*(6)C10	2678	0.000270805	1.595372671 Hartree
144	RY*(7)C10	2679	0.000135102	2.288810184 Hartree
145	RY*(8)C10	2680	0.000095050	2.171670252 Hartree
146	RY*(9)C10	2681	0.000052499	3.766616497 Hartree
147	RY*(10)C10	2682	0.000015877	2.516874756 Hartree
148	RY*(1)C11	2683	0.005003727	1.166425480 Hartree
149	RY*(2)C11	2684	0.002368963	0.868818038 Hartree
150	RY*(3)C11	2685	0.000963557	1.006295354 Hartree
151	RY*(4)C11	2686	0.000919334	1.221824088 Hartree
152	RY*(5)C11	2687	0.000349376	1.155539551 Hartree
153	RY*(6)C11	2688	0.000104441	2.250513502 Hartree
154	RY*(7)C11	2689	0.000048603	3.630886137 Hartree
155	RY*(8)C11	2690	0.000051395	2.180915017 Hartree
156	RY*(9)C11	2691	0.000005711	1.554339423 Hartree
157	RY*(10)C11	2692	0.000010279	2.590912668 Hartree
158	RY*(1)C12	2693	0.005120834	1.137171898 Hartree
159	RY*(2)C12	2694	0.002698494	0.585448092 Hartree
160	RY*(3)C12	2695	0.000450350	1.761625019 Hartree
161	RY*(4)C12	2696	0.000312729	0.617817988 Hartree
162	RY*(5)C12	2697	0.000276671	1.077402247 Hartree
163	RY*(6)C12	2698	0.000107522	2.201627879 Hartree
164	RY*(7)C12	2699	0.000040705	2.975811087 Hartree
165	RY*(8)C12	2700	0.000008768	3.051033317 Hartree
166	RY*(9)C12	2701	0.000015328	2.125516552 Hartree
167	RY*(10)C12	2702	0.000003316	1.560315199 Hartree
168	RY*(1)C13	2703	0.004690859	1.141888667 Hartree
169	RY*(2)C13	2704	0.002537255	0.586341514 Hartree
170	RY*(3)C13	2705	0.000592217	1.781676622 Hartree
171	RY*(4)C13	2706	0.000229400	0.626963617 Hartree
172	RY*(5)C13	2707	0.000184633	0.935998838 Hartree
173	RY*(6)C13	2708	0.000098781	2.196321331 Hartree
174	RY*(7)C13	2709	0.000042479	3.304227102 Hartree
175	RY*(8)C13	2710	0.000018470	1.942458012 Hartree
176	RY*(9)C13	2711	0.000000337	1.519907042 Hartree
177	RY*(10)C13	2712	0.000004406	2.931348966 Hartree
178	RY*(1)C14	2713	0.005120834	1.137171898 Hartree
179	RY*(2)C14	2714	0.002698494	0.585448092 Hartree
180	RY*(3)C14	2715	0.000461342	1.630597782 Hartree
181	RY*(4)C14	2716	0.000303123	0.748199488 Hartree
182	RY*(5)C14	2717	0.000276671	1.077402247 Hartree
183	RY*(6)C14	2718	0.000107522	2.201627879 Hartree
184	RY*(7)C14	2719	0.000040705	2.975811087 Hartree
185	RY*(8)C14	2720	0.000016762	1.986545747 Hartree
186	RY*(9)C14	2721	0.000007334	3.190004122 Hartree
187	RY*(10)C14	2722	0.000003315	1.560783783 Hartree
188	RY*(1)C15	2723	0.005003727	1.166425480 Hartree
189	RY*(2)C15	2724	0.002368963	0.868818038 Hartree
190	RY*(3)C15	2725	0.000963557	1.006295354 Hartree
191	RY*(4)C15	2726	0.000756026	1.266385589 Hartree
192	RY*(5)C15	2727	0.000374745	1.112379612 Hartree
193	RY*(6)C15	2728	0.000104441	2.250513502 Hartree
194	RY*(7)C15	2729	0.000048808	3.631436606 Hartree
195	RY*(8)C15	2730	0.000051190	2.180364548 Hartree
196	RY*(9)C15	2731	0.000005711	1.553993478 Hartree
197	RY*(10)C15	2732	0.000010279	2.590912668 Hartree
198	RY*(1)H16	2733	0.003376423	0.624706768 Hartree
199	RY*(1)H17	2734	0.000647232	0.440743290 Hartree
200	RY*(1)H18	2735	0.000680871	0.446898140 Hartree
201	RY*(1)H19	2736	0.000647232	0.440743290 Hartree
202	RY*(1)H20	2737	0.003376423	0.624706768 Hartree
203	RY*(1)C21	2738	0.005348208	1.210351502 Hartree
204	RY*(2)C21	2739	0.004911528	1.106975304 Hartree
205	RY*(3)C21	2740	0.000771264	1.761000129 Hartree
206	RY*(4)C21	2741	0.000463833	0.958563342 Hartree
207	RY*(5)C21	2742	0.000302399	0.684194318 Hartree
208	RY*(6)C21	2743	0.000270805	1.595372671 Hartree
209	RY*(7)C21	2744	0.000135102	2.288810184 Hartree
210	RY*(8)C21	2745	0.000095050	2.171670252 Hartree
211	RY*(9)C21	2746	0.000052499	3.766616499 Hartree
212	RY*(10)C21	2747	0.000015877	2.516874754 Hartree
213	RY*(1)C22	2748	0.005003727	1.166425480 Hartree
214	RY*(2)C22	2749	0.002368963	0.868818038 Hartree
215	RY*(3)C22	2750	0.000963557	1.006295354 Hartree
216	RY*(4)C22	2751	0.000919334	1.221824088 Hartree
217	RY*(5)C22	2752	0.000349376	1.155539551 Hartree
218	RY*(6)C22	2753	0.000104441	2.250513502 Hartree
219	RY*(7)C22	2754	0.000059119	2.826995765 Hartree
220	RY*(8)C22	2755	0.000040879	2.984805388 Hartree
221	RY*(9)C22	2756	0.000005711	1.554339423 Hartree
222	RY*(10)C22	2757	0.000010279	2.590912669 Hartree
223	RY*(1)C23	2758	0.005120834	1.137171898 Hartree
224	RY*(2)C23	2759	0.002698494	0.585448092 Hartree
225	RY*(3)C23	2760	0.000450350	1.761625019 Hartree
226	RY*(4)C23	2761	0.000312729	0.617817988 Hartree
227	RY*(5)C23	2762	0.000276671	1.077402248 Hartree
228	RY*(6)C23	2763	0.000107522	2.201627879 Hartree
229	RY*(7)C23	2764	0.000040705	2.975811087 Hartree
230	RY*(8)C23	2765	0.000008768	3.051025083 Hartree
231	RY*(9)C23	2766	0.000015328	2.125524786 Hartree
232	RY*(10)C23	2767	0.000003316	1.560315199 Hartree
233	RY*(1)C24	2768	0.004690859	1.141888667 Hartree
234	RY*(2)C24	2769	0.002537255	0.586341514 Hartree
235	RY*(3)C24	2770	0.000592217	1.781676622 Hartree
236	RY*(4)C24	2771	0.000229400	0.626963617 Hartree
237	RY*(5)C24	2772	0.000184633	0.935998838 Hartree
238	RY*(6)C24	2773	0.000098781	2.196321331 Hartree
239	RY*(7)C24	2774	0.000042479	3.304227102 Hartree
240	RY*(8)C24	2775	0.000018470	1.942458012 Hartree
241	RY*(9)C24	2776	0.000000337	1.519907042 Hartree
242	RY*(10)C24	2777	0.000004406	2.931348967 Hartree
243	RY*(1)C25	2778	0.005120834	1.137171898 Hartree
244	RY*(2)C25	2779	0.002698494	0.585448092 Hartree
245	RY*(3)C25	2780	0.000461342	1.630597782 Hartree
246	RY*(4)C25	2781	0.000303123	0.748199488 Hartree
247	RY*(5)C25	2782	0.000276671	1.077402248 Hartree
248	RY*(6)C25	2783	0.000107522	2.201627879 Hartree
249	RY*(7)C25	2784	0.000040705	2.975811087 Hartree
250	RY*(8)C25	2785	0.000008768	3.051025084 Hartree
251	RY*(9)C25	2786	0.000015328	2.125524785 Hartree
252	RY*(10)C25	2787	0.000003315	1.560783783 Hartree
253	RY*(1)C26	2788	0.005003727	1.166425480 Hartree
254	RY*(2)C26	2789	0.002368963	0.868818038 Hartree
255	RY*(3)C26	2790	0.000963557	1.006295354 Hartree
256	RY*(4)C26	2791	0.000756026	1.266385589 Hartree
257	RY*(5)C26	2792	0.000374745	1.112379612 Hartree
258	RY*(6)C26	2793	0.000104441	2.250513502 Hartree
259	RY*(7)C26	2794	0.000059119	2.826995765 Hartree
260	RY*(8)C26	2795	0.000040879	2.984805388 Hartree
261	RY*(9)C26	2796	0.000005711	1.553993478 Hartree
262	RY*(10)C26	2797	0.000010279	2.590912669 Hartree
263	RY*(1)H27	2798	0.003376423	0.624706768 Hartree
264	RY*(1)H28	2799	0.000647232	0.440743290 Hartree
265	RY*(1)H29	2800	0.000680871	0.446898140 Hartree
266	RY*(1)H30	2801	0.000647232	0.440743290 Hartree
267	RY*(1)H31	2802	0.003376423	0.624706768 Hartree
268	RY*(1)H32	2803	0.003376423	0.624706768 Hartree
269	RY*(1)H33	2804	0.000647232	0.440743290 Hartree
270	RY*(1)H34	2805	0.000680871	0.446898140 Hartree
271	BD*(1)C1-C2		0.014042137	0.405480913 Hartree
272	BD*(2)C1-C2		0.286445839	-0.103987652 Hartree
273	BD*(1)C1-C6		0.014042137	0.405480913 Hartree
274	BD*(1)C1-H34		0.010379344	0.356876913 Hartree
275	BD*(1)C2-C3		0.014211776	0.411217040 Hartree
276	BD*(1)C2-H33		0.010163279	0.353656632 Hartree
277	BD*(1)C3-C4		0.020057467	0.400121285 Hartree
278	BD*(2)C3-C4		0.414109633	-0.119772913 Hartree
279	BD*(1)C3-H32		0.086161065	0.558278651 Hartree
280	BD*(1)C4-C5		0.020057467	0.400121285 Hartree
281	BD*(1)C4-C9		0.022434834	0.251309409 Hartree
282	BD*(1)C5-C6		0.014211776	0.411217040 Hartree
283	BD*(2)C5-C6		0.261431286	-0.109250470 Hartree
284	BD*(1)C5-H8		0.086161065	0.558278651 Hartree
285	BD*(1)C6-H7		0.010163279	0.353656632 Hartree
286	BD*(1)C9-C10		0.022434834	0.251309409 Hartree
287	BD*(1)C9-C21		0.022434834	0.251309409 Hartree
288	BD*(1)C10-C11		0.020057467	0.400121285 Hartree
289	BD*(2)C10-C11		0.414109633	-0.119772913 Hartree
290	BD*(1)C10-C15		0.020057467	0.400121285 Hartree
291	BD*(1)C11-C12		0.014211776	0.411217040 Hartree
292	BD*(1)C11-H20		0.086161065	0.558278651 Hartree
293	BD*(1)C12-C13		0.014042137	0.405480913 Hartree
294	BD*(2)C12-C13		0.286445839	-0.103987652 Hartree
295	BD*(1)C12-H19		0.010163279	0.353656632 Hartree
296	BD*(1)C13-C14		0.014042137	0.405480913 Hartree
297	BD*(1)C13-H18		0.010379344	0.356876913 Hartree
298	BD*(1)C14-C15		0.014211776	0.411217040 Hartree
299	BD*(2)C14-C15		0.261431286	-0.109250470 Hartree
300	BD*(1)C14-H17		0.010163279	0.353656632 Hartree
301	BD*(1)C15-H16		0.086161065	0.558278650 Hartree
302	BD*(1)C21-C22		0.020057467	0.400121285 Hartree
303	BD*(2)C21-C22		0.414109633	-0.119772913 Hartree
304	BD*(1)C21-C26		0.020057467	0.400121285 Hartree
305	BD*(1)C22-C23		0.014211776	0.411217040 Hartree
306	BD*(1)C22-H31		0.086161065	0.558278651 Hartree
307	BD*(1)C23-C24		0.014042137	0.405480913 Hartree
308	BD*(2)C23-C24		0.286445839	-0.103987652 Hartree
309	BD*(1)C23-H30		0.010163279	0.353656632 Hartree
310	BD*(1)C24-C25		0.014042137	0.405480913 Hartree
311	BD*(1)C24-H29		0.010379344	0.356876913 Hartree
312	BD*(1)C25-C26		0.014211776	0.411217040 Hartree
313	BD*(2)C25-C26		0.261431286	-0.109250470 Hartree
314	BD*(1)C25-H28		0.010163279	0.353656632 Hartree
315	BD*(1)C26-H27		0.086161065	0.558278650 Hartree

Quote

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