WebMO Job Summary

Overview

Quantity	Value
Route	#N B3LYP/6-31G(d) SP GFINPUT POP=(FULL,NBORead) Geom=Connectivity
Stoichiometry	C₁₉H₁₇P
Symmetry	C1
Basis	6-31G(d)
RB3LYP Energy	-1075.55052433 Hartree
Dipole Moment	2.7569 Debye
Server	default (2770052)
CPU time	607.3 sec

Rotational Constants

Constant	Frequency (GHz)	Frequency (cm^-1)
a	0.3315630	0.01105975121
b	0.3177303	0.01059834200
c	0.2017449	0.00672948550

Molecular Orbitals

Display Range		- / 338
Orbital	Symmetry	Occupancy	Energy	Actions
1	-	2	-77.13105 Hartree
2	-	2	-10.19894 Hartree
3	-	2	-10.19832 Hartree
4	-	2	-10.19697 Hartree
5	-	2	-10.19696 Hartree
6	-	2	-10.19655 Hartree
7	-	2	-10.19593 Hartree
8	-	2	-10.19586 Hartree
9	-	2	-10.19540 Hartree
10	-	2	-10.19500 Hartree
11	-	2	-10.19444 Hartree
12	-	2	-10.19424 Hartree
13	-	2	-10.19395 Hartree
14	-	2	-10.19364 Hartree
15	-	2	-10.19336 Hartree
16	-	2	-10.19247 Hartree
17	-	2	-10.19175 Hartree
18	-	2	-10.19113 Hartree
19	-	2	-10.18891 Hartree
20	-	2	-10.11725 Hartree
21	-	2	-6.59141 Hartree
22	-	2	-4.75471 Hartree
23	-	2	-4.75352 Hartree
24	-	2	-4.75188 Hartree
25	-	2	-0.86161 Hartree
26	-	2	-0.85390 Hartree
27	-	2	-0.85175 Hartree
28	-	2	-0.78013 Hartree
29	-	2	-0.74952 Hartree
30	-	2	-0.74756 Hartree
31	-	2	-0.74626 Hartree
32	-	2	-0.74465 Hartree
33	-	2	-0.74097 Hartree
34	-	2	-0.68727 Hartree
35	-	2	-0.61628 Hartree
36	-	2	-0.60966 Hartree
37	-	2	-0.60493 Hartree
38	-	2	-0.60103 Hartree
39	-	2	-0.59899 Hartree
40	-	2	-0.59415 Hartree
41	-	2	-0.54908 Hartree
42	-	2	-0.52095 Hartree
43	-	2	-0.51684 Hartree
44	-	2	-0.49753 Hartree
45	-	2	-0.46014 Hartree
46	-	2	-0.45792 Hartree
47	-	2	-0.45072 Hartree
48	-	2	-0.44919 Hartree
49	-	2	-0.44722 Hartree
50	-	2	-0.44414 Hartree
51	-	2	-0.42446 Hartree
52	-	2	-0.42328 Hartree
53	-	2	-0.42176 Hartree
54	-	2	-0.42028 Hartree
55	-	2	-0.40471 Hartree
56	-	2	-0.38757 Hartree
57	-	2	-0.37463 Hartree
58	-	2	-0.36907 Hartree
59	-	2	-0.36419 Hartree
60	-	2	-0.36277 Hartree
61	-	2	-0.35065 Hartree
62	-	2	-0.34828 Hartree
63	-	2	-0.34452 Hartree
64	-	2	-0.33793 Hartree
65	-	2	-0.32481 Hartree
66	-	2	-0.32254 Hartree
67	-	2	-0.26288 Hartree
68	-	2	-0.25701 Hartree
69	-	2	-0.25393 Hartree
70	-	2	-0.25255 Hartree
71	-	2	-0.25027 Hartree
72	-	2	-0.24830 Hartree
73	-	2	-0.16017 Hartree
74	-	0	-0.02643 Hartree
75	-	0	-0.01771 Hartree
76	-	0	-0.01312 Hartree
77	-	0	-0.00950 Hartree
78	-	0	-0.00110 Hartree
79	-	0	0.00155 Hartree
80	-	0	0.08454 Hartree
81	-	0	0.08645 Hartree
82	-	0	0.09546 Hartree
83	-	0	0.11006 Hartree
84	-	0	0.11149 Hartree
85	-	0	0.12859 Hartree
86	-	0	0.13902 Hartree
87	-	0	0.14024 Hartree
88	-	0	0.14308 Hartree
89	-	0	0.14514 Hartree
90	-	0	0.15281 Hartree
91	-	0	0.15932 Hartree
92	-	0	0.16375 Hartree
93	-	0	0.16401 Hartree
94	-	0	0.17522 Hartree
95	-	0	0.18042 Hartree
96	-	0	0.18147 Hartree
97	-	0	0.18361 Hartree
98	-	0	0.18679 Hartree
99	-	0	0.19496 Hartree
100	-	0	0.19704 Hartree
101	-	0	0.20303 Hartree
102	-	0	0.21989 Hartree
103	-	0	0.22798 Hartree
104	-	0	0.26486 Hartree
105	-	0	0.28787 Hartree
106	-	0	0.28980 Hartree
107	-	0	0.29175 Hartree
108	-	0	0.29992 Hartree
109	-	0	0.30291 Hartree
110	-	0	0.30706 Hartree
111	-	0	0.31861 Hartree
112	-	0	0.32255 Hartree
113	-	0	0.32622 Hartree
114	-	0	0.33190 Hartree
115	-	0	0.33375 Hartree
116	-	0	0.39199 Hartree
117	-	0	0.40569 Hartree
118	-	0	0.41588 Hartree
119	-	0	0.42215 Hartree
120	-	0	0.46005 Hartree
121	-	0	0.48626 Hartree
122	-	0	0.52203 Hartree
123	-	0	0.52287 Hartree
124	-	0	0.52647 Hartree
125	-	0	0.53236 Hartree
126	-	0	0.53541 Hartree
127	-	0	0.53988 Hartree
128	-	0	0.54258 Hartree
129	-	0	0.54757 Hartree
130	-	0	0.55130 Hartree
131	-	0	0.55543 Hartree
132	-	0	0.55948 Hartree
133	-	0	0.56560 Hartree
134	-	0	0.57057 Hartree
135	-	0	0.57558 Hartree
136	-	0	0.58547 Hartree
137	-	0	0.58924 Hartree
138	-	0	0.59305 Hartree
139	-	0	0.59356 Hartree
140	-	0	0.59746 Hartree
141	-	0	0.60312 Hartree
142	-	0	0.60559 Hartree
143	-	0	0.60759 Hartree
144	-	0	0.60812 Hartree
145	-	0	0.60883 Hartree
146	-	0	0.61379 Hartree
147	-	0	0.61624 Hartree
148	-	0	0.61852 Hartree
149	-	0	0.62240 Hartree
150	-	0	0.64387 Hartree
151	-	0	0.64594 Hartree
152	-	0	0.64807 Hartree
153	-	0	0.66206 Hartree
154	-	0	0.68712 Hartree
155	-	0	0.68851 Hartree
156	-	0	0.71297 Hartree
157	-	0	0.71866 Hartree
158	-	0	0.74148 Hartree
159	-	0	0.75834 Hartree
160	-	0	0.78656 Hartree
161	-	0	0.79353 Hartree
162	-	0	0.81024 Hartree
163	-	0	0.82112 Hartree
164	-	0	0.82999 Hartree
165	-	0	0.83327 Hartree
166	-	0	0.83605 Hartree
167	-	0	0.83943 Hartree
168	-	0	0.84121 Hartree
169	-	0	0.84229 Hartree
170	-	0	0.84256 Hartree
171	-	0	0.84742 Hartree
172	-	0	0.85415 Hartree
173	-	0	0.85825 Hartree
174	-	0	0.86604 Hartree
175	-	0	0.87561 Hartree
176	-	0	0.88791 Hartree
177	-	0	0.89804 Hartree
178	-	0	0.90540 Hartree
179	-	0	0.91166 Hartree
180	-	0	0.91553 Hartree
181	-	0	0.92734 Hartree
182	-	0	0.93200 Hartree
183	-	0	0.94011 Hartree
184	-	0	0.94530 Hartree
185	-	0	0.95405 Hartree
186	-	0	0.95587 Hartree
187	-	0	0.96942 Hartree
188	-	0	0.97281 Hartree
189	-	0	0.97632 Hartree
190	-	0	0.98746 Hartree
191	-	0	1.00229 Hartree
192	-	0	1.00839 Hartree
193	-	0	1.01958 Hartree
194	-	0	1.04460 Hartree
195	-	0	1.05677 Hartree
196	-	0	1.07130 Hartree
197	-	0	1.07689 Hartree
198	-	0	1.09017 Hartree
199	-	0	1.11065 Hartree
200	-	0	1.12399 Hartree
201	-	0	1.12706 Hartree
202	-	0	1.13426 Hartree
203	-	0	1.15792 Hartree
204	-	0	1.16297 Hartree
205	-	0	1.17442 Hartree
206	-	0	1.19292 Hartree
207	-	0	1.19987 Hartree
208	-	0	1.21958 Hartree
209	-	0	1.25700 Hartree
210	-	0	1.26167 Hartree
211	-	0	1.27613 Hartree
212	-	0	1.28257 Hartree
213	-	0	1.30106 Hartree
214	-	0	1.32476 Hartree
215	-	0	1.33351 Hartree
216	-	0	1.34342 Hartree
217	-	0	1.36612 Hartree
218	-	0	1.40323 Hartree
219	-	0	1.42686 Hartree
220	-	0	1.43436 Hartree
221	-	0	1.44441 Hartree
222	-	0	1.44817 Hartree
223	-	0	1.45441 Hartree
224	-	0	1.46511 Hartree
225	-	0	1.47503 Hartree
226	-	0	1.48056 Hartree
227	-	0	1.48728 Hartree
228	-	0	1.49156 Hartree
229	-	0	1.49649 Hartree
230	-	0	1.50051 Hartree
231	-	0	1.50541 Hartree
232	-	0	1.50930 Hartree
233	-	0	1.51084 Hartree
234	-	0	1.51269 Hartree
235	-	0	1.52392 Hartree
236	-	0	1.58013 Hartree
237	-	0	1.61355 Hartree
238	-	0	1.66196 Hartree
239	-	0	1.76260 Hartree
240	-	0	1.76482 Hartree
241	-	0	1.78875 Hartree
242	-	0	1.80302 Hartree
243	-	0	1.81786 Hartree
244	-	0	1.82451 Hartree
245	-	0	1.83540 Hartree
246	-	0	1.84193 Hartree
247	-	0	1.85093 Hartree
248	-	0	1.86057 Hartree
249	-	0	1.89315 Hartree
250	-	0	1.89732 Hartree
251	-	0	1.91554 Hartree
252	-	0	1.95360 Hartree
253	-	0	1.97647 Hartree
254	-	0	1.98189 Hartree
255	-	0	1.98456 Hartree
256	-	0	1.98739 Hartree
257	-	0	1.99555 Hartree
258	-	0	2.00007 Hartree
259	-	0	2.06011 Hartree
260	-	0	2.07960 Hartree
261	-	0	2.08471 Hartree
262	-	0	2.09543 Hartree
263	-	0	2.11065 Hartree
264	-	0	2.13443 Hartree
265	-	0	2.13904 Hartree
266	-	0	2.14290 Hartree
267	-	0	2.14446 Hartree
268	-	0	2.14661 Hartree
269	-	0	2.15080 Hartree
270	-	0	2.15369 Hartree
271	-	0	2.15636 Hartree
272	-	0	2.15809 Hartree
273	-	0	2.16271 Hartree
274	-	0	2.16542 Hartree
275	-	0	2.16938 Hartree
276	-	0	2.17815 Hartree
277	-	0	2.18368 Hartree
278	-	0	2.29175 Hartree
279	-	0	2.29546 Hartree
280	-	0	2.29692 Hartree
281	-	0	2.30237 Hartree
282	-	0	2.30787 Hartree
283	-	0	2.31050 Hartree
284	-	0	2.32311 Hartree
285	-	0	2.32894 Hartree
286	-	0	2.33135 Hartree
287	-	0	2.35739 Hartree
288	-	0	2.37864 Hartree
289	-	0	2.53586 Hartree
290	-	0	2.54875 Hartree
291	-	0	2.56048 Hartree
292	-	0	2.58121 Hartree
293	-	0	2.58252 Hartree
294	-	0	2.58909 Hartree
295	-	0	2.64410 Hartree
296	-	0	2.64490 Hartree
297	-	0	2.64661 Hartree
298	-	0	2.66058 Hartree
299	-	0	2.67542 Hartree
300	-	0	2.67643 Hartree
301	-	0	2.69742 Hartree
302	-	0	2.70802 Hartree
303	-	0	2.71111 Hartree
304	-	0	2.73982 Hartree
305	-	0	2.74722 Hartree
306	-	0	2.75394 Hartree
307	-	0	2.75546 Hartree
308	-	0	2.75993 Hartree
309	-	0	2.76345 Hartree
310	-	0	2.77994 Hartree
311	-	0	2.79864 Hartree
312	-	0	2.80523 Hartree
313	-	0	3.02394 Hartree
314	-	0	3.02933 Hartree
315	-	0	3.04426 Hartree
316	-	0	3.34643 Hartree
317	-	0	3.38552 Hartree
318	-	0	3.38795 Hartree
319	-	0	3.63612 Hartree
320	-	0	4.08664 Hartree
321	-	0	4.08845 Hartree
322	-	0	4.09269 Hartree
323	-	0	4.11373 Hartree
324	-	0	4.12388 Hartree
325	-	0	4.12951 Hartree
326	-	0	4.17412 Hartree
327	-	0	4.20152 Hartree
328	-	0	4.23338 Hartree
329	-	0	4.28917 Hartree
330	-	0	4.32793 Hartree
331	-	0	4.34662 Hartree
332	-	0	4.36359 Hartree
333	-	0	4.36652 Hartree
334	-	0	4.37988 Hartree
335	-	0	4.39910 Hartree
336	-	0	4.66422 Hartree
337	-	0	4.67328 Hartree
338	-	0	4.68187 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom	Symbol	Charge
1	P	1.63130
2	C	-0.39861
3	C	-0.20756
4	C	-0.23318
5	C	-0.21844
6	C	-0.23287
7	C	-0.20556
8	H	0.24512
9	H	0.23863
10	H	0.23764
11	H	0.23965
12	H	0.26470
13	C	-0.38573
14	C	-0.20382
15	C	-0.23155
16	C	-0.22283
17	C	-0.23092
18	C	-0.21598
19	H	0.24658
20	H	0.23920
21	H	0.23782
22	H	0.23909
23	H	0.24697
24	C	-0.41131
25	C	-0.21084
26	C	-0.23021
27	C	-0.22432
28	C	-0.23261
29	C	-0.23278
30	H	0.24376
31	H	0.23774
32	H	0.23714
33	H	0.23821
34	H	0.24823
35	C	-1.23419
36	H	0.24379
37	H	0.24777

Natural Atomic Orbitals

Display Range		- / 338
Orbital	Description	Occupancy	Energy	Actions
1	P1 Cor(1S)	1.999999051	-76.088554675 Hartree
2	P1 Cor(2S)	1.998275505	-7.414989836 Hartree
3	P1 Val(3S)	0.973797305	-0.314484462 Hartree
4	P1 Ryd(4S)	0.004095650	0.755925334 Hartree
5	P1 Ryd(5S)	0.000012872	3.509715636 Hartree
6	P1 Cor(2p)	1.999782059	-4.743501121 Hartree
7	P1 Val(3p)	0.768918256	-0.027980258 Hartree
8	P1 Ryd(4p)	0.008323578	0.550677620 Hartree
9	P1 Cor(2p)	1.999777829	-4.743737123 Hartree
10	P1 Val(3p)	0.763353981	-0.030165165 Hartree
11	P1 Ryd(4p)	0.008394792	0.533257533 Hartree
12	P1 Cor(2p)	1.999687930	-4.739640448 Hartree
13	P1 Val(3p)	0.783534970	-0.007530117 Hartree
14	P1 Ryd(4p)	0.005690324	0.545352813 Hartree
15	P1 Ryd(3d)	0.009874223	1.028785587 Hartree
16	P1 Ryd(3d)	0.014878421	0.967309297 Hartree
17	P1 Ryd(3d)	0.015137094	0.935758229 Hartree
18	P1 Ryd(3d)	0.006294242	0.989522923 Hartree
19	P1 Ryd(3d)	0.008873314	1.059425296 Hartree
20	C2 Cor(1S)	1.998895316	-10.053284645 Hartree
21	C2 Val(2S)	0.979063414	-0.207444535 Hartree
22	C2 Ryd(3S)	0.003722624	1.188347284 Hartree
23	C2 Ryd(4S)	0.000054610	4.334016582 Hartree
24	C2 Val(2p)	1.197859695	-0.129528886 Hartree
25	C2 Ryd(3p)	0.008432482	1.111125820 Hartree
26	C2 Val(2p)	1.088216484	-0.109798884 Hartree
27	C2 Ryd(3p)	0.002572570	0.823800133 Hartree
28	C2 Val(2p)	1.112629054	-0.095243438 Hartree
29	C2 Ryd(3p)	0.004671741	0.950226972 Hartree
30	C2 Ryd(3d)	0.000455229	2.050507154 Hartree
31	C2 Ryd(3d)	0.000543139	2.243077367 Hartree
32	C2 Ryd(3d)	0.000443982	2.300683266 Hartree
33	C2 Ryd(3d)	0.000477306	2.216544995 Hartree
34	C2 Ryd(3d)	0.000572940	2.114384351 Hartree
35	C3 Cor(1S)	1.999028392	-10.039607337 Hartree
36	C3 Val(2S)	0.957622992	-0.162160624 Hartree
37	C3 Ryd(3S)	0.000992629	1.152313897 Hartree
38	C3 Ryd(4S)	0.000047707	4.140550025 Hartree
39	C3 Val(2p)	1.057822702	-0.034082464 Hartree
40	C3 Ryd(3p)	0.004471318	0.800328157 Hartree
41	C3 Val(2p)	1.033284125	-0.088635979 Hartree
42	C3 Ryd(3p)	0.002274344	0.787912049 Hartree
43	C3 Val(2p)	1.144579179	-0.069351032 Hartree
44	C3 Ryd(3p)	0.004576492	0.988698169 Hartree
45	C3 Ryd(3d)	0.000566608	2.094077452 Hartree
46	C3 Ryd(3d)	0.000622166	2.299797525 Hartree
47	C3 Ryd(3d)	0.000622381	2.147482855 Hartree
48	C3 Ryd(3d)	0.000466940	2.325183705 Hartree
49	C3 Ryd(3d)	0.000580155	2.030288000 Hartree
50	C4 Cor(1S)	1.999085636	-10.045866472 Hartree
51	C4 Val(2S)	0.962096541	-0.169608306 Hartree
52	C4 Ryd(3S)	0.000635250	1.226100837 Hartree
53	C4 Ryd(4S)	0.000037660	3.991889627 Hartree
54	C4 Val(2p)	1.157020077	-0.047601546 Hartree
55	C4 Ryd(3p)	0.005273699	0.986010467 Hartree
56	C4 Val(2p)	1.027907234	-0.085673062 Hartree
57	C4 Ryd(3p)	0.001728236	0.684501020 Hartree
58	C4 Val(2p)	1.073135341	-0.058775354 Hartree
59	C4 Ryd(3p)	0.003505512	0.770339365 Hartree
60	C4 Ryd(3d)	0.000517339	1.995503316 Hartree
61	C4 Ryd(3d)	0.000709229	2.229804576 Hartree
62	C4 Ryd(3d)	0.000429392	2.262408081 Hartree
63	C4 Ryd(3d)	0.000578041	2.215000203 Hartree
64	C4 Ryd(3d)	0.000524242	2.095541192 Hartree
65	C5 Cor(1S)	1.999094581	-10.049772220 Hartree
66	C5 Val(2S)	0.965642590	-0.174407455 Hartree
67	C5 Ryd(3S)	0.000558888	1.221680408 Hartree
68	C5 Ryd(4S)	0.000037010	3.980414002 Hartree
69	C5 Val(2p)	1.171152646	-0.052789866 Hartree
70	C5 Ryd(3p)	0.005069429	1.033757258 Hartree
71	C5 Val(2p)	1.008545994	-0.086266503 Hartree
72	C5 Ryd(3p)	0.001733134	0.661969973 Hartree
73	C5 Val(2p)	1.060356677	-0.059162251 Hartree
74	C5 Ryd(3p)	0.003444359	0.733710212 Hartree
75	C5 Ryd(3d)	0.000480681	1.983649482 Hartree
76	C5 Ryd(3d)	0.000688855	2.216562113 Hartree
77	C5 Ryd(3d)	0.000422526	2.271946981 Hartree
78	C5 Ryd(3d)	0.000649304	2.191477867 Hartree
79	C5 Ryd(3d)	0.000560984	2.101251072 Hartree
80	C6 Cor(1S)	1.999093996	-10.047346914 Hartree
81	C6 Val(2S)	0.961300922	-0.170839022 Hartree
82	C6 Ryd(3S)	0.000625613	1.229634276 Hartree
83	C6 Ryd(4S)	0.000035032	3.987764185 Hartree
84	C6 Val(2p)	1.061405972	-0.035263757 Hartree
85	C6 Ryd(3p)	0.004432347	0.695906000 Hartree
86	C6 Val(2p)	1.056604348	-0.090322976 Hartree
87	C6 Ryd(3p)	0.002043655	0.768062183 Hartree
88	C6 Val(2p)	1.140491404	-0.070273000 Hartree
89	C6 Ryd(3p)	0.004087040	0.976574042 Hartree
90	C6 Ryd(3d)	0.000530782	2.073266208 Hartree
91	C6 Ryd(3d)	0.000583190	2.265145193 Hartree
92	C6 Ryd(3d)	0.000624871	2.133982196 Hartree
93	C6 Ryd(3d)	0.000458542	2.311046995 Hartree
94	C6 Ryd(3d)	0.000552367	2.006855986 Hartree
95	C7 Cor(1S)	1.999020061	-10.044138929 Hartree
96	C7 Val(2S)	0.950276218	-0.162998102 Hartree
97	C7 Ryd(3S)	0.000795843	1.192192206 Hartree
98	C7 Ryd(4S)	0.000046710	4.069985911 Hartree
99	C7 Val(2p)	1.164741067	-0.052668638 Hartree
100	C7 Ryd(3p)	0.005414972	1.042250680 Hartree
101	C7 Val(2p)	1.011837598	-0.086547693 Hartree
102	C7 Ryd(3p)	0.001700652	0.716331104 Hartree
103	C7 Val(2p)	1.065455807	-0.061465510 Hartree
104	C7 Ryd(3p)	0.003432255	0.802784058 Hartree
105	C7 Ryd(3d)	0.000554530	2.008428644 Hartree
106	C7 Ryd(3d)	0.000742063	2.253219928 Hartree
107	C7 Ryd(3d)	0.000442668	2.286198426 Hartree
108	C7 Ryd(3d)	0.000576151	2.221544858 Hartree
109	C7 Ryd(3d)	0.000527811	2.119128856 Hartree
110	H8 Val(1S)	0.753633679	0.104093073 Hartree
111	H8 Ryd(2S)	0.001247730	0.714933907 Hartree
112	H9 Val(1S)	0.760525641	0.093220562 Hartree
113	H9 Ryd(2S)	0.000848314	0.562386420 Hartree
114	H10 Val(1S)	0.761520971	0.091990840 Hartree
115	H10 Ryd(2S)	0.000843284	0.561441119 Hartree
116	H11 Val(1S)	0.759500571	0.095780822 Hartree
117	H11 Ryd(2S)	0.000848721	0.565166335 Hartree
118	H12 Val(1S)	0.733515294	0.123010613 Hartree
119	H12 Ryd(2S)	0.001782976	0.652753403 Hartree
120	C13 Cor(1S)	1.998896828	-10.053613604 Hartree
121	C13 Val(2S)	0.973683449	-0.207180656 Hartree
122	C13 Ryd(3S)	0.002929350	1.158569133 Hartree
123	C13 Ryd(4S)	0.000055645	4.321328800 Hartree
124	C13 Val(2p)	1.113238146	-0.077661584 Hartree
125	C13 Ryd(3p)	0.005356347	0.981070684 Hartree
126	C13 Val(2p)	1.197493004	-0.136684433 Hartree
127	C13 Ryd(3p)	0.008414055	1.087326725 Hartree
128	C13 Val(2p)	1.080292691	-0.119252268 Hartree
129	C13 Ryd(3p)	0.002829237	0.814383472 Hartree
130	C13 Ryd(3d)	0.000612978	2.335996001 Hartree
131	C13 Ryd(3d)	0.000578895	2.044857045 Hartree
132	C13 Ryd(3d)	0.000373949	2.120574859 Hartree
133	C13 Ryd(3d)	0.000592232	2.315777943 Hartree
134	C13 Ryd(3d)	0.000385698	2.127226537 Hartree
135	C14 Cor(1S)	1.999016754	-10.044052540 Hartree
136	C14 Val(2S)	0.950879211	-0.162429184 Hartree
137	C14 Ryd(3S)	0.000813357	1.191931256 Hartree
138	C14 Ryd(4S)	0.000042957	4.074183377 Hartree
139	C14 Val(2p)	1.197211102	-0.057908667 Hartree
140	C14 Ryd(3p)	0.006055221	1.105621988 Hartree
141	C14 Val(2p)	1.055301028	-0.049335015 Hartree
142	C14 Ryd(3p)	0.003456949	0.775249249 Hartree
143	C14 Val(2p)	0.986954364	-0.091010099 Hartree
144	C14 Ryd(3p)	0.001217862	0.666053898 Hartree
145	C14 Ryd(3d)	0.000643358	2.310391557 Hartree
146	C14 Ryd(3d)	0.000383272	1.951400183 Hartree
147	C14 Ryd(3d)	0.000465027	2.190865533 Hartree
148	C14 Ryd(3d)	0.000847087	2.318291960 Hartree
149	C14 Ryd(3d)	0.000530952	2.118654372 Hartree
150	C15 Cor(1S)	1.999092367	-10.046549096 Hartree
151	C15 Val(2S)	0.961395828	-0.170003124 Hartree
152	C15 Ryd(3S)	0.000629375	1.219390493 Hartree
153	C15 Ryd(4S)	0.000036412	3.998054015 Hartree
154	C15 Val(2p)	1.121424772	-0.046014977 Hartree
155	C15 Ryd(3p)	0.004743956	0.887538469 Hartree
156	C15 Val(2p)	1.105518527	-0.052940434 Hartree
157	C15 Ryd(3p)	0.004345755	0.857137816 Hartree
158	C15 Val(2p)	1.030114461	-0.093788770 Hartree
159	C15 Ryd(3p)	0.001490258	0.698663576 Hartree
160	C15 Ryd(3d)	0.000765669	2.302136766 Hartree
161	C15 Ryd(3d)	0.000534663	1.974031725 Hartree
162	C15 Ryd(3d)	0.000495003	2.100109817 Hartree
163	C15 Ryd(3d)	0.000592459	2.317600049 Hartree
164	C15 Ryd(3d)	0.000372058	2.101056797 Hartree
165	C16 Cor(1S)	1.999094967	-10.048806918 Hartree
166	C16 Val(2S)	0.964662418	-0.173299879 Hartree
167	C16 Ryd(3S)	0.000559484	1.219957375 Hartree
168	C16 Ryd(4S)	0.000036664	3.983005665 Hartree
169	C16 Val(2p)	1.074832634	-0.039529490 Hartree
170	C16 Ryd(3p)	0.004386626	0.730262805 Hartree
171	C16 Val(2p)	1.156969114	-0.062415485 Hartree
172	C16 Ryd(3p)	0.004457017	1.019251467 Hartree
173	C16 Val(2p)	1.013641762	-0.094239716 Hartree
174	C16 Ryd(3p)	0.001399142	0.682444521 Hartree
175	C16 Ryd(3d)	0.000686710	2.301531708 Hartree
176	C16 Ryd(3d)	0.000520555	2.034224260 Hartree
177	C16 Ryd(3d)	0.000485139	2.034715230 Hartree
178	C16 Ryd(3d)	0.000697353	2.302055414 Hartree
179	C16 Ryd(3d)	0.000404049	2.096740127 Hartree
180	C17 Cor(1S)	1.999090354	-10.046933620 Hartree
181	C17 Val(2S)	0.961187975	-0.170465717 Hartree
182	C17 Ryd(3S)	0.000642272	1.219846259 Hartree
183	C17 Ryd(4S)	0.000035171	3.994897611 Hartree
184	C17 Val(2p)	1.189222559	-0.056411701 Hartree
185	C17 Ryd(3p)	0.005386013	1.096574599 Hartree
186	C17 Val(2p)	1.059237751	-0.046462837 Hartree
187	C17 Ryd(3p)	0.003964844	0.705364710 Hartree
188	C17 Val(2p)	1.008109998	-0.091768397 Hartree
189	C17 Ryd(3p)	0.001279813	0.635709158 Hartree
190	C17 Ryd(3d)	0.000631691	2.288119678 Hartree
191	C17 Ryd(3d)	0.000378656	1.927421936 Hartree
192	C17 Ryd(3d)	0.000442207	2.177596161 Hartree
193	C17 Ryd(3d)	0.000804633	2.280947722 Hartree
194	C17 Ryd(3d)	0.000505410	2.114918439 Hartree
195	C18 Cor(1S)	1.999024543	-10.045528323 Hartree
196	C18 Val(2S)	0.950632320	-0.164764352 Hartree
197	C18 Ryd(3S)	0.000797373	1.190859894 Hartree
198	C18 Ryd(4S)	0.000044294	4.073861906 Hartree
199	C18 Val(2p)	1.123320864	-0.050755996 Hartree
200	C18 Ryd(3p)	0.004861116	0.900099831 Hartree
201	C18 Val(2p)	1.114345201	-0.059045476 Hartree
202	C18 Ryd(3p)	0.004129589	0.934562426 Hartree
203	C18 Val(2p)	1.014159723	-0.097423833 Hartree
204	C18 Ryd(3p)	0.001787238	0.720466686 Hartree
205	C18 Ryd(3d)	0.000834656	2.320706137 Hartree
206	C18 Ryd(3d)	0.000552041	1.990251797 Hartree
207	C18 Ryd(3d)	0.000510235	2.088228812 Hartree
208	C18 Ryd(3d)	0.000597644	2.364477637 Hartree
209	C18 Ryd(3d)	0.000382784	2.116529160 Hartree
210	H19 Val(1S)	0.752389755	0.100420767 Hartree
211	H19 Ryd(2S)	0.001034047	0.626649499 Hartree
212	H20 Val(1S)	0.759942144	0.093886710 Hartree
213	H20 Ryd(2S)	0.000858452	0.563521086 Hartree
214	H21 Val(1S)	0.761347999	0.092773246 Hartree
215	H21 Ryd(2S)	0.000836963	0.562157293 Hartree
216	H22 Val(1S)	0.760067118	0.094528895 Hartree
217	H22 Ryd(2S)	0.000847180	0.563842661 Hartree
218	H23 Val(1S)	0.751883379	0.104240129 Hartree
219	H23 Ryd(2S)	0.001148316	0.664797404 Hartree
220	C24 Cor(1S)	1.998888683	-10.043959353 Hartree
221	C24 Val(2S)	0.997034753	-0.205582714 Hartree
222	C24 Ryd(3S)	0.005530566	1.167432132 Hartree
223	C24 Ryd(4S)	0.000056807	4.305081222 Hartree
224	C24 Val(2p)	1.135432140	-0.122386149 Hartree
225	C24 Ryd(3p)	0.005678944	0.924864361 Hartree
226	C24 Val(2p)	1.149325581	-0.110173759 Hartree
227	C24 Ryd(3p)	0.007631712	0.971788927 Hartree
228	C24 Val(2p)	1.104158568	-0.077056768 Hartree
229	C24 Ryd(3p)	0.005044703	0.980277151 Hartree
230	C24 Ryd(3d)	0.000425311	2.183210366 Hartree
231	C24 Ryd(3d)	0.000552423	2.210031440 Hartree
232	C24 Ryd(3d)	0.000579943	2.275164407 Hartree
233	C24 Ryd(3d)	0.000396920	1.981754243 Hartree
234	C24 Ryd(3d)	0.000577847	2.265315651 Hartree
235	C25 Cor(1S)	1.999012504	-10.038992399 Hartree
236	C25 Val(2S)	0.954472330	-0.159976420 Hartree
237	C25 Ryd(3S)	0.001157054	1.108934881 Hartree
238	C25 Ryd(4S)	0.000055061	4.161439866 Hartree
239	C25 Val(2p)	1.024531031	-0.075210985 Hartree
240	C25 Ryd(3p)	0.002462490	0.757612112 Hartree
241	C25 Val(2p)	1.032772797	-0.054479501 Hartree
242	C25 Ryd(3p)	0.002873511	0.726068055 Hartree
243	C25 Val(2p)	1.184662243	-0.060109929 Hartree
244	C25 Ryd(3p)	0.005981797	1.057862488 Hartree
245	C25 Ryd(3d)	0.000448149	2.336586621 Hartree
246	C25 Ryd(3d)	0.000585614	2.082993392 Hartree
247	C25 Ryd(3d)	0.000525113	2.257923623 Hartree
248	C25 Ryd(3d)	0.000518777	2.033719558 Hartree
249	C25 Ryd(3d)	0.000782016	2.174627215 Hartree
250	C26 Cor(1S)	1.999088602	-10.045066636 Hartree
251	C26 Val(2S)	0.961971220	-0.168493797 Hartree
252	C26 Ryd(3S)	0.000607380	1.236673910 Hartree
253	C26 Ryd(4S)	0.000034852	3.981364364 Hartree
254	C26 Val(2p)	1.033430408	-0.074264813 Hartree
255	C26 Ryd(3p)	0.002284156	0.684238574 Hartree
256	C26 Val(2p)	1.117306723	-0.064798640 Hartree
257	C26 Ryd(3p)	0.003888805	0.909315862 Hartree
258	C26 Val(2p)	1.104504132	-0.049176950 Hartree
259	C26 Ryd(3p)	0.004323968	0.848171209 Hartree
260	C26 Ryd(3d)	0.000466111	2.232544806 Hartree
261	C26 Ryd(3d)	0.000480214	2.185891915 Hartree
262	C26 Ryd(3d)	0.000789189	2.195378589 Hartree
263	C26 Ryd(3d)	0.000494518	1.950072593 Hartree
264	C26 Ryd(3d)	0.000537038	2.235807627 Hartree
265	C27 Cor(1S)	1.999095372	-10.047951629 Hartree
266	C27 Val(2S)	0.964953572	-0.172743522 Hartree
267	C27 Ryd(3S)	0.000569181	1.209389174 Hartree
268	C27 Ryd(4S)	0.000037644	3.995153022 Hartree
269	C27 Val(2p)	1.074666645	-0.083057292 Hartree
270	C27 Ryd(3p)	0.002591439	0.830566454 Hartree
271	C27 Val(2p)	1.103001575	-0.065446013 Hartree
272	C27 Ryd(3p)	0.003635446	0.873424365 Hartree
273	C27 Val(2p)	1.068947538	-0.045696302 Hartree
274	C27 Ryd(3p)	0.004033566	0.728464345 Hartree
275	C27 Ryd(3d)	0.000678066	2.162008638 Hartree
276	C27 Ryd(3d)	0.000571445	2.158646360 Hartree
277	C27 Ryd(3d)	0.000581967	2.263444197 Hartree
278	C27 Ryd(3d)	0.000368360	1.915964229 Hartree
279	C27 Ryd(3d)	0.000586884	2.270389415 Hartree
280	C28 Cor(1S)	1.999083198	-10.046474263 Hartree
281	C28 Val(2S)	0.961503492	-0.170383670 Hartree
282	C28 Ryd(3S)	0.000653790	1.199494730 Hartree
283	C28 Ryd(4S)	0.000038012	4.017642523 Hartree
284	C28 Val(2p)	1.043698427	-0.077215768 Hartree
285	C28 Ryd(3p)	0.002423186	0.710401631 Hartree
286	C28 Val(2p)	1.043550533	-0.055993340 Hartree
287	C28 Ryd(3p)	0.003345972	0.675087502 Hartree
288	C28 Val(2p)	1.170619614	-0.061382650 Hartree
289	C28 Ryd(3p)	0.004922677	1.051507571 Hartree
290	C28 Ryd(3d)	0.000425352	2.315331149 Hartree
291	C28 Ryd(3d)	0.000585942	2.084921809 Hartree
292	C28 Ryd(3d)	0.000515116	2.229305694 Hartree
293	C28 Ryd(3d)	0.000515281	2.037851969 Hartree
294	C28 Ryd(3d)	0.000729860	2.130505789 Hartree
295	C29 Cor(1S)	1.999016037	-10.043349943 Hartree
296	C29 Val(2S)	0.951895396	-0.165277155 Hartree
297	C29 Ryd(3S)	0.000825516	1.224871342 Hartree
298	C29 Ryd(4S)	0.000041758	4.125021458 Hartree
299	C29 Val(2p)	1.033859083	-0.080748738 Hartree
300	C29 Ryd(3p)	0.002277784	0.760371566 Hartree
301	C29 Val(2p)	1.124563854	-0.070998309 Hartree
302	C29 Ryd(3p)	0.004013360	0.961224788 Hartree
303	C29 Val(2p)	1.108784175	-0.057006134 Hartree
304	C29 Ryd(3p)	0.004635311	0.862606598 Hartree
305	C29 Ryd(3d)	0.000453870	2.238177025 Hartree
306	C29 Ryd(3d)	0.000492748	2.201099503 Hartree
307	C29 Ryd(3d)	0.000863122	2.223879683 Hartree
308	C29 Ryd(3d)	0.000542733	1.949915131 Hartree
309	C29 Ryd(3d)	0.000515561	2.264870990 Hartree
310	H30 Val(1S)	0.755192686	0.097973174 Hartree
311	H30 Ryd(2S)	0.001048237	0.631429290 Hartree
312	H31 Val(1S)	0.761360071	0.092804816 Hartree
313	H31 Ryd(2S)	0.000897599	0.563008799 Hartree
314	H32 Val(1S)	0.762022930	0.092935322 Hartree
315	H32 Ryd(2S)	0.000838245	0.562667835 Hartree
316	H33 Val(1S)	0.760897442	0.095622166 Hartree
317	H33 Ryd(2S)	0.000888195	0.565393157 Hartree
318	H34 Val(1S)	0.750119364	0.108089991 Hartree
319	H34 Ryd(2S)	0.001646697	0.633403111 Hartree
320	C35 Cor(1S)	1.999303893	-10.004727986 Hartree
321	C35 Val(2S)	1.178019605	-0.276473995 Hartree
322	C35 Ryd(3S)	0.000573421	1.287639182 Hartree
323	C35 Ryd(4S)	0.000011541	4.187963507 Hartree
324	C35 Val(2p)	1.433162662	-0.072117170 Hartree
325	C35 Ryd(3p)	0.002859384	0.843053987 Hartree
326	C35 Val(2p)	1.412458097	-0.068303226 Hartree
327	C35 Ryd(3p)	0.002765955	0.821853764 Hartree
328	C35 Val(2p)	1.198570535	-0.107135664 Hartree
329	C35 Ryd(3p)	0.003960749	0.712316901 Hartree
330	C35 Ryd(3d)	0.000835098	2.072467363 Hartree
331	C35 Ryd(3d)	0.000479667	2.096161056 Hartree
332	C35 Ryd(3d)	0.000490435	2.097787980 Hartree
333	C35 Ryd(3d)	0.000338194	1.830536412 Hartree
334	C35 Ryd(3d)	0.000362554	2.316172676 Hartree
335	H36 Val(1S)	0.755747986	0.126605535 Hartree
336	H36 Ryd(2S)	0.000460402	0.707467044 Hartree
337	H37 Val(1S)	0.751759213	0.132654335 Hartree
338	H37 Ryd(2S)	0.000473590	0.695333240 Hartree

Natural Hybrid Orbitals

Display Range		- / 338
Orbital	Description	Occupancy	Energy	Actions
1	BD(1)P1(C2) 1s(23.11%)p3.29(75.91%)d0.04(0.98%)	0.788009848	-0.077549294 Hartree
2	BD(1)C2(P1) 2s(29.30%)p2.41(70.68%)d0.00(0.02%)	1.273021058	-0.259866163 Hartree
3	BD(1)P1(C13) 1s(23.01%)p3.30(75.97%)d0.04(1.03%)	0.781832076	-0.074374731 Hartree
4	BD(1)C13(P1) 13s(29.24%)p2.42(70.74%)d0.00(0.02%)	1.276099321	-0.260622654 Hartree
5	BD(1)P1(C24) 1s(21.09%)p3.69(77.82%)d0.05(1.08%)	0.865429768	-0.079323402 Hartree
6	BD(1)C24(P1) 24s(28.83%)p2.47(71.15%)d0.00(0.02%)	1.325268230	-0.248494503 Hartree
7	BD(1)P1(C35) 1s(32.79%)p2.03(66.60%)d0.02(0.61%)	0.857589535	-0.071175715 Hartree
8	BD(1)C35(P1) 35s(32.32%)p2.09(67.65%)d0.00(0.03%)	1.147242669	-0.208709927 Hartree
9	BD(1)C2(C3) 2s(35.05%)p1.85(64.91%)d0.00(0.04%)	1.021625635	-0.074671360 Hartree
10	BD(1)C3(C2) 3s(34.30%)p1.91(65.66%)d0.00(0.04%)	0.974997716	-0.045987363 Hartree
11	BD(2)C2(C3) 2s(0.01%)p99.99(99.96%)d1.79(0.02%)	1.071433449	-0.117850701 Hartree
12	BD(2)C3(C2) 3s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.955722622	-0.099629905 Hartree
13	BD(1)C2(C7) 2s(35.55%)p1.81(64.41%)d0.00(0.04%)	1.019739972	-0.074441342 Hartree
14	BD(1)C7(C2) 7s(34.76%)p1.88(65.20%)d0.00(0.04%)	0.980785579	-0.049101486 Hartree
15	BD(1)C3(C4) 3s(35.30%)p1.83(64.66%)d0.00(0.04%)	1.001095924	-0.052072655 Hartree
16	BD(1)C4(C3) 4s(35.25%)p1.84(64.71%)d0.00(0.04%)	0.994460952	-0.048108674 Hartree
17	BD(1)C3(H12) 3s(30.38%)p2.29(69.57%)d0.00(0.05%)	1.265533284	-0.137113032 Hartree
18	BD(1)H12(C3) 12s(100.00%)	0.733502967	0.125270236 Hartree
19	BD(1)C4(C5) 4s(35.07%)p1.85(64.89%)d0.00(0.04%)	0.997689475	-0.053984135 Hartree
20	BD(1)C5(C4) 5s(35.22%)p1.84(64.74%)d0.00(0.04%)	0.999880370	-0.054556214 Hartree
21	BD(2)C4(C5) 4s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.997115482	-0.103547854 Hartree
22	BD(2)C5(C4) 5s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.977943430	-0.105079623 Hartree
23	BD(1)C4(H11) 4s(29.64%)p2.37(70.31%)d0.00(0.05%)	1.235490039	-0.137825940 Hartree
24	BD(1)H11(C4) 11s(100.00%)	0.759498932	0.096569686 Hartree
25	BD(1)C5(C6) 5s(35.15%)p1.84(64.81%)d0.00(0.04%)	0.998537167	-0.054738112 Hartree
26	BD(1)C6(C5) 6s(35.14%)p1.84(64.82%)d0.00(0.04%)	0.998601622	-0.055383311 Hartree
27	BD(1)C5(H10) 5s(29.60%)p2.38(70.35%)d0.00(0.05%)	1.233957531	-0.140225714 Hartree
28	BD(1)H10(C5) 10s(100.00%)	0.761519371	0.092768722 Hartree
29	BD(1)C6(C7) 6s(35.20%)p1.84(64.76%)d0.00(0.04%)	0.991341996	-0.049308270 Hartree
30	BD(1)C7(C6) 7s(35.34%)p1.83(64.62%)d0.00(0.04%)	1.003315011	-0.055582480 Hartree
31	BD(2)C6(C7) 6s(0.00%)p1.00(99.96%)d0.00(0.04%)	1.000081043	-0.104830324 Hartree
32	BD(2)C7(C6) 7s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.968878959	-0.104263141 Hartree
33	BD(1)C6(H9) 6s(29.63%)p2.37(70.32%)d0.00(0.05%)	1.234367745	-0.139020764 Hartree
34	BD(1)H9(C6) 9s(100.00%)	0.760524084	0.093987248 Hartree
35	BD(1)C7(H8) 7s(29.87%)p2.35(70.07%)d0.00(0.05%)	1.243238393	-0.137223115 Hartree
36	BD(1)H8(C7) 8s(100.00%)	0.753629384	0.105424467 Hartree
37	BD(1)C13(C14) 13s(35.45%)p1.82(64.51%)d0.00(0.04%)	1.019714739	-0.073827489 Hartree
38	BD(1)C14(C13) 14s(34.73%)p1.88(65.23%)d0.00(0.04%)	0.978110087	-0.048017436 Hartree
39	BD(1)C13(C18) 13s(35.21%)p1.84(64.75%)d0.00(0.04%)	1.019156792	-0.076134928 Hartree
40	BD(1)C18(C13) 18s(34.80%)p1.87(65.16%)d0.00(0.04%)	0.978537159	-0.051161837 Hartree
41	BD(2)C13(C18) 13s(0.01%)p1.00(99.97%)d0.00(0.03%)	1.058161718	-0.115297942 Hartree
42	BD(2)C18(C13) 18s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.981084589	-0.104456655 Hartree
43	BD(1)C14(C15) 14s(35.37%)p1.83(64.59%)d0.00(0.04%)	1.002817412	-0.054883051 Hartree
44	BD(1)C15(C14) 15s(35.19%)p1.84(64.77%)d0.00(0.04%)	0.991926376	-0.048697799 Hartree
45	BD(2)C14(C15) 14s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.969222099	-0.102121899 Hartree
46	BD(2)C15(C14) 15s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.998262102	-0.103594437 Hartree
47	BD(1)C14(H23) 14s(29.87%)p2.35(70.08%)d0.00(0.05%)	1.244139287	-0.137780149 Hartree
48	BD(1)H23(C14) 23s(100.00%)	0.751879656	0.105463315 Hartree
49	BD(1)C15(C16) 15s(35.13%)p1.85(64.83%)d0.00(0.04%)	0.998237306	-0.054237000 Hartree
50	BD(1)C16(C15) 16s(35.17%)p1.84(64.79%)d0.00(0.04%)	0.998721936	-0.054031202 Hartree
51	BD(1)C15(H22) 15s(29.64%)p2.37(70.31%)d0.00(0.05%)	1.234625914	-0.138071641 Hartree
52	BD(1)H22(C15) 22s(100.00%)	0.760065586	0.095290580 Hartree
53	BD(1)C16(C17) 16s(35.17%)p1.84(64.79%)d0.00(0.04%)	0.998030604	-0.053734340 Hartree
54	BD(1)C17(C16) 17s(35.17%)p1.84(64.79%)d0.00(0.04%)	0.998839531	-0.054637089 Hartree
55	BD(2)C16(C17) 16s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.984130825	-0.104383218 Hartree
56	BD(2)C17(C16) 17s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.997367146	-0.104041446 Hartree
57	BD(1)C16(H21) 16s(29.63%)p2.37(70.32%)d0.00(0.05%)	1.233839695	-0.139300525 Hartree
58	BD(1)H21(C16) 21s(100.00%)	0.761346471	0.093533921 Hartree
59	BD(1)C17(C18) 17s(35.16%)p1.84(64.80%)d0.00(0.04%)	0.991458392	-0.049410577 Hartree
60	BD(1)C18(C17) 18s(35.45%)p1.82(64.52%)d0.00(0.04%)	1.003960906	-0.056827349 Hartree
61	BD(1)C17(H20) 17s(29.64%)p2.37(70.31%)d0.00(0.05%)	1.234704458	-0.138813805 Hartree
62	BD(1)H20(C17) 20s(100.00%)	0.759940611	0.094649003 Hartree
63	BD(1)C18(H19) 18s(29.72%)p2.36(70.23%)d0.00(0.05%)	1.242709645	-0.140828159 Hartree
64	BD(1)H19(C18) 19s(100.00%)	0.752386279	0.101591859 Hartree
65	BD(1)C24(C25) 24s(34.93%)p1.86(65.03%)d0.00(0.04%)	1.013382930	-0.064718100 Hartree
66	BD(1)C25(C24) 25s(34.86%)p1.87(65.10%)d0.00(0.04%)	0.983174965	-0.045460486 Hartree
67	BD(2)C24(C25) 24s(0.00%)p1.00(99.97%)d0.00(0.03%)	1.042913197	-0.110489482 Hartree
68	BD(2)C25(C24) 25s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.964971152	-0.098223647 Hartree
69	BD(1)C24(C29) 24s(36.17%)p1.76(63.80%)d0.00(0.04%)	1.014629484	-0.071606101 Hartree
70	BD(1)C29(C24) 29s(34.99%)p1.86(64.97%)d0.00(0.04%)	0.986694618	-0.052129824 Hartree
71	BD(1)C25(C26) 25s(35.39%)p1.82(64.57%)d0.00(0.04%)	1.001819860	-0.052450222 Hartree
72	BD(1)C26(C25) 26s(35.23%)p1.84(64.73%)d0.00(0.04%)	0.994119291	-0.047116869 Hartree
73	BD(1)C25(H34) 25s(29.72%)p2.36(70.22%)d0.00(0.05%)	1.250367003	-0.134951203 Hartree
74	BD(1)H34(C25) 34s(100.00%)	0.750105922	0.110397450 Hartree
75	BD(1)C26(C27) 26s(35.10%)p1.85(64.86%)d0.00(0.04%)	0.997545718	-0.052443008 Hartree
76	BD(1)C27(C26) 27s(35.24%)p1.84(64.72%)d0.00(0.04%)	0.999680865	-0.053222938 Hartree
77	BD(2)C26(C27) 26s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.995510089	-0.102215613 Hartree
78	BD(2)C27(C26) 27s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.985684156	-0.103905752 Hartree
79	BD(1)C26(H33) 26s(29.63%)p2.37(70.32%)d0.00(0.05%)	1.234626943	-0.136828836 Hartree
80	BD(1)H33(C26) 33s(100.00%)	0.760895623	0.096451575 Hartree
81	BD(1)C27(C28) 27s(35.13%)p1.85(64.83%)d0.00(0.04%)	0.997574609	-0.053378556 Hartree
82	BD(1)C28(C27) 28s(35.12%)p1.85(64.84%)d0.00(0.04%)	0.999344522	-0.054958711 Hartree
83	BD(1)C27(H32) 27s(29.59%)p2.38(70.36%)d0.00(0.05%)	1.233247587	-0.138442276 Hartree
84	BD(1)H32(C27) 32s(100.00%)	0.762021427	0.093689286 Hartree
85	BD(1)C28(C29) 28s(35.27%)p1.83(64.69%)d0.00(0.04%)	0.992467846	-0.049024947 Hartree
86	BD(1)C29(C28) 29s(35.55%)p1.81(64.41%)d0.00(0.04%)	1.004344646	-0.056800413 Hartree
87	BD(2)C28(C29) 28s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.998271102	-0.104054279 Hartree
88	BD(2)C29(C28) 29s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.990325541	-0.106397448 Hartree
89	BD(1)C28(H31) 28s(29.58%)p2.38(70.37%)d0.00(0.05%)	1.233887491	-0.138706248 Hartree
90	BD(1)H31(C28) 31s(100.00%)	0.761358319	0.093618240 Hartree
91	BD(1)C29(H30) 29s(29.43%)p2.40(70.51%)d0.00(0.05%)	1.241792708	-0.140905903 Hartree
92	BD(1)H30(C29) 30s(100.00%)	0.755188937	0.099192376 Hartree
93	BD(1)C35(H36) 35s(30.13%)p2.32(69.81%)d0.00(0.06%)	1.229468891	-0.093774908 Hartree
94	BD(1)H36(C35) 36s(100.00%)	0.755747407	0.127127376 Hartree
95	BD(1)C35(H37) 35s(30.73%)p2.25(69.21%)d0.00(0.06%)	1.234041011	-0.093273545 Hartree
96	BD(1)H37(C35) 37s(100.00%)	0.751758628	0.133179605 Hartree
97	CR(1)P1 s(100.00%)	1.999999051	-76.088564873 Hartree
98	CR(2)P1 s(100.00%)p0.00(0.00%)	1.998271059	-7.414705543 Hartree
99	CR(3)P1 s(0.00%)p1.00(100.00%)	1.999781189	-4.743443806 Hartree
100	CR(4)P1 s(0.00%)p1.00(100.00%)	1.999776647	-4.743685095 Hartree
101	CR(5)P1 s(0.00%)p1.00(100.00%)	1.999687151	-4.739611112 Hartree
102	CR(1)C2 s(100.00%)	1.998894397	-10.053521915 Hartree
103	CR(1)C3 s(100.00%)p0.00(0.00%)	1.999031672	-10.040082206 Hartree
104	CR(1)C4 s(100.00%)p0.00(0.00%)	1.999089079	-10.046232787 Hartree
105	CR(1)C5 s(100.00%)p0.00(0.00%)	1.999097536	-10.050158371 Hartree
106	CR(1)C6 s(100.00%)p0.00(0.00%)	1.999097378	-10.047707295 Hartree
107	CR(1)C7 s(100.00%)p0.00(0.00%)	1.999023008	-10.044610600 Hartree
108	CR(1)C13 s(100.00%)	1.998895779	-10.053850612 Hartree
109	CR(1)C14 s(100.00%)p0.00(0.00%)	1.999020361	-10.044504998 Hartree
110	CR(1)C15 s(100.00%)p0.00(0.00%)	1.999095752	-10.046909709 Hartree
111	CR(1)C16 s(100.00%)p0.00(0.00%)	1.999097991	-10.049188918 Hartree
112	CR(1)C17 s(100.00%)p0.00(0.00%)	1.999093787	-10.047295017 Hartree
113	CR(1)C18 s(100.00%)p0.00(0.00%)	1.999028222	-10.045980847 Hartree
114	CR(1)C24 s(100.00%)	1.998888874	-10.044251850 Hartree
115	CR(1)C25 s(100.00%)p0.00(0.00%)	1.999016483	-10.039438174 Hartree
116	CR(1)C26 s(100.00%)p0.00(0.00%)	1.999091861	-10.045437141 Hartree
117	CR(1)C27 s(100.00%)p0.00(0.00%)	1.999098365	-10.048335373 Hartree
118	CR(1)C28 s(100.00%)p0.00(0.00%)	1.999086635	-10.046847890 Hartree
119	CR(1)C29 s(100.00%)p0.00(0.00%)	1.999019632	-10.043809628 Hartree
120	CR(1)C35 s(100.00%)p0.00(0.00%)	1.999299837	-10.004639885 Hartree
121	LP(1)C35 s(6.64%)p14.05(93.32%)d0.01(0.03%)	1.620713486	-0.118396626 Hartree
122	RY*(1)P1 s(0.70%)p36.83(25.68%)d99.99(73.62%)	0.047081886	0.835170448 Hartree
123	RY*(2)P1 s(0.48%)p59.69(28.50%)d99.99(71.02%)	0.006432808	0.809173974 Hartree
124	RY*(3)P1 s(0.00%)p1.00(11.98%)d7.35(88.02%)	0.006185439	0.893900578 Hartree
125	RY*(4)P1 s(1.39%)p47.86(66.32%)d23.30(32.29%)	0.004921093	0.731652838 Hartree
126	RY*(5)P1 s(0.11%)p99.99(37.93%)d99.99(61.96%)	0.004256113	0.946622900 Hartree
127	RY*(6)P1 s(1.53%)p37.78(57.86%)d26.52(40.61%)	0.003352239	0.690513378 Hartree
128	RY*(7)P1 s(93.53%)p0.02(1.97%)d0.05(4.50%)	0.002932552	0.746729140 Hartree
129	RY*(8)P1 s(2.21%)p15.39(33.96%)d28.93(63.83%)	0.002479644	0.846306077 Hartree
130	RY*(9)P1 s(0.08%)p99.99(39.50%)d99.99(60.43%)	0.000677165	0.793835317 Hartree
131	RY*(10)P1 s(99.98%)p0.00(0.01%)d0.00(0.01%)	0.000006131	3.503675982 Hartree
132	RY*(1)C2 s(0.24%)p99.99(94.76%)d20.94(5.00%)	0.005370796	1.225708106 Hartree
133	RY*(2)C2 s(16.99%)p4.78(81.26%)d0.10(1.74%)	0.004060921	1.032998050 Hartree
134	RY*(3)C2 s(70.89%)p0.36(25.65%)d0.05(3.46%)	0.002021355	1.138100743 Hartree
135	RY*(4)C2 s(7.92%)p11.36(90.06%)d0.25(2.01%)	0.001265238	0.815802665 Hartree
136	RY*(5)C2 s(0.03%)p6.56(0.20%)d99.99(99.77%)	0.000653522	1.928160920 Hartree
137	RY*(6)C2 s(0.32%)p5.02(1.61%)d99.99(98.07%)	0.000231475	2.390066406 Hartree
138	RY*(7)C2 s(0.26%)p4.36(1.15%)d99.99(98.59%)	0.000132253	1.904680622 Hartree
139	RY*(8)C2 s(17.25%)p0.25(4.30%)d4.55(78.45%)	0.000097596	2.396760114 Hartree
140	RY*(9)C2 s(40.22%)p0.02(0.83%)d1.47(58.95%)	0.000051747	3.206043848 Hartree
141	RY*(10)C2 s(45.95%)p0.00(0.20%)d1.17(53.85%)	0.000011171	3.279443539 Hartree
142	RY*(1)C3 s(0.16%)p99.99(93.50%)d39.39(6.34%)	0.005958293	1.263373663 Hartree
143	RY*(2)C3 s(0.02%)p99.99(98.43%)d99.99(1.56%)	0.003216026	0.806864253 Hartree
144	RY*(3)C3 s(0.66%)p68.74(45.16%)d82.49(54.19%)	0.000836095	1.353628865 Hartree
145	RY*(4)C3 s(73.15%)p0.12(8.73%)d0.25(18.13%)	0.000499977	1.183817940 Hartree
146	RY*(5)C3 s(20.29%)p2.05(41.61%)d1.88(38.10%)	0.000420718	1.236324892 Hartree
147	RY*(6)C3 s(4.51%)p0.29(1.32%)d20.88(94.17%)	0.000126292	2.389469095 Hartree
148	RY*(7)C3 s(68.17%)p0.00(0.05%)d0.47(31.78%)	0.000052297	3.645425859 Hartree
149	RY*(8)C3 s(2.93%)p1.94(5.70%)d31.18(91.37%)	0.000027336	2.103157746 Hartree
150	RY*(9)C3 s(0.75%)p6.98(5.22%)d99.99(94.04%)	0.000029062	1.975962748 Hartree
151	RY*(10)C3 s(29.39%)p0.02(0.45%)d2.39(70.15%)	0.000010812	2.789654496 Hartree
152	RY*(1)C4 s(0.58%)p99.99(92.23%)d12.39(7.19%)	0.005108026	1.269538047 Hartree
153	RY*(2)C4 s(0.08%)p99.99(98.52%)d18.46(1.41%)	0.002794667	0.711036624 Hartree
154	RY*(3)C4 s(0.01%)p1.00(4.49%)d21.28(95.51%)	0.000576674	1.886521430 Hartree
155	RY*(4)C4 s(0.00%)p1.00(84.98%)d0.18(15.02%)	0.000398198	0.781999097 Hartree
156	RY*(5)C4 s(96.98%)p0.00(0.20%)d0.03(2.82%)	0.000284357	1.127326796 Hartree
157	RY*(6)C4 s(0.38%)p3.91(1.50%)d99.99(98.12%)	0.000107391	2.360498030 Hartree
158	RY*(7)C4 s(58.95%)p0.00(0.24%)d0.69(40.81%)	0.000047302	3.503452014 Hartree
159	RY*(8)C4 s(1.89%)p5.09(9.59%)d46.93(88.52%)	0.000004921	1.839711246 Hartree
160	RY*(9)C4 s(15.17%)p0.23(3.45%)d5.37(81.38%)	0.000008049	2.403531252 Hartree
161	RY*(10)C4 s(26.00%)p0.19(4.94%)d2.66(69.06%)	0.000008819	2.555658800 Hartree
162	RY*(1)C5 s(0.57%)p99.99(91.87%)d13.28(7.56%)	0.004803344	1.271526480 Hartree
163	RY*(2)C5 s(0.00%)p1.00(98.50%)d0.02(1.50%)	0.002738121	0.706708271 Hartree
164	RY*(3)C5 s(0.00%)p1.00(0.73%)d99.99(99.27%)	0.000625809	1.932241342 Hartree
165	RY*(4)C5 s(0.19%)p99.99(89.50%)d54.75(10.32%)	0.000426654	0.717493482 Hartree
166	RY*(5)C5 s(96.05%)p0.00(0.23%)d0.04(3.71%)	0.000254285	1.091883419 Hartree
167	RY*(6)C5 s(0.00%)p1.00(1.55%)d63.44(98.45%)	0.000104687	2.359947956 Hartree
168	RY*(7)C5 s(56.10%)p0.00(0.21%)d0.78(43.69%)	0.000047693	3.468509511 Hartree
169	RY*(8)C5 s(33.52%)p0.02(0.75%)d1.96(65.73%)	0.000006648	2.820957622 Hartree
170	RY*(9)C5 s(2.18%)p4.09(8.90%)d40.89(88.93%)	0.000003997	1.841824282 Hartree
171	RY*(10)C5 s(11.43%)p0.69(7.90%)d7.06(80.68%)	0.000010386	2.167686743 Hartree
172	RY*(1)C6 s(0.56%)p99.99(92.41%)d12.45(7.02%)	0.005153829	1.267183760 Hartree
173	RY*(2)C6 s(0.12%)p99.99(98.46%)d12.04(1.42%)	0.002801275	0.711129825 Hartree
174	RY*(3)C6 s(0.01%)p99.99(1.83%)d99.99(98.16%)	0.000573897	1.920651067 Hartree
175	RY*(4)C6 s(0.03%)p99.99(87.36%)d99.99(12.61%)	0.000401141	0.745969213 Hartree
176	RY*(5)C6 s(96.82%)p0.00(0.24%)d0.03(2.94%)	0.000277723	1.132003512 Hartree
177	RY*(6)C6 s(0.61%)p2.52(1.54%)d99.99(97.85%)	0.000105263	2.353016036 Hartree
178	RY*(7)C6 s(53.92%)p0.00(0.27%)d0.85(45.81%)	0.000046666	3.411160095 Hartree
179	RY*(8)C6 s(18.30%)p0.19(3.46%)d4.28(78.25%)	0.000007155	2.445354812 Hartree
180	RY*(9)C6 s(28.16%)p0.18(5.13%)d2.37(66.71%)	0.000007943	2.574519541 Hartree
181	RY*(10)C6 s(1.50%)p6.32(9.44%)d59.57(89.06%)	0.000005407	1.869453696 Hartree
182	RY*(1)C7 s(0.07%)p99.99(92.98%)d95.36(6.94%)	0.005743744	1.281870192 Hartree
183	RY*(2)C7 s(0.30%)p99.99(97.41%)d7.66(2.29%)	0.002748931	0.826187044 Hartree
184	RY*(3)C7 s(0.28%)p99.99(42.41%)d99.99(57.31%)	0.000794535	1.384654850 Hartree
185	RY*(4)C7 s(0.29%)p99.99(51.33%)d99.99(48.38%)	0.000456715	1.249253750 Hartree
186	RY*(5)C7 s(98.50%)p0.00(0.35%)d0.01(1.15%)	0.000367351	1.093671680 Hartree
187	RY*(6)C7 s(0.13%)p17.76(2.25%)d99.99(97.62%)	0.000107364	2.391802720 Hartree
188	RY*(7)C7 s(70.13%)p0.01(0.57%)d0.42(29.30%)	0.000053508	3.569155241 Hartree
189	RY*(8)C7 s(5.71%)p1.00(5.74%)d15.50(88.55%)	0.000026005	2.338683309 Hartree
190	RY*(9)C7 s(0.28%)p24.88(7.00%)d99.99(92.71%)	0.000016072	1.853260036 Hartree
191	RY*(10)C7 s(24.34%)p0.00(0.10%)d3.11(75.56%)	0.000009229	2.706487798 Hartree
192	RY*(1)H8 s(100.00%)	0.001252025	0.713602513 Hartree
193	RY*(1)H9 s(100.00%)	0.000849871	0.561619734 Hartree
194	RY*(1)H10 s(100.00%)	0.000844884	0.560663237 Hartree
195	RY*(1)H11 s(100.00%)	0.000850360	0.564377471 Hartree
196	RY*(1)H12 s(100.00%)	0.001795303	0.650493779 Hartree
197	RY*(1)C13 s(0.17%)p99.99(95.32%)d26.99(4.51%)	0.005653120	1.241069976 Hartree
198	RY*(2)C13 s(0.63%)p99.99(97.94%)d2.25(1.43%)	0.003475988	0.981127793 Hartree
199	RY*(3)C13 s(9.90%)p8.80(87.12%)d0.30(2.97%)	0.001882537	0.845718201 Hartree
200	RY*(4)C13 s(82.44%)p0.15(12.01%)d0.07(5.55%)	0.001484383	1.154624936 Hartree
201	RY*(5)C13 s(0.60%)p0.47(0.28%)d99.99(99.12%)	0.000679380	1.927122323 Hartree
202	RY*(6)C13 s(0.41%)p2.57(1.06%)d99.99(98.53%)	0.000232403	2.419098476 Hartree
203	RY*(7)C13 s(0.47%)p3.22(1.50%)d99.99(98.03%)	0.000137709	1.908104962 Hartree
204	RY*(8)C13 s(21.31%)p0.18(3.83%)d3.51(74.87%)	0.000092285	2.406945233 Hartree
205	RY*(9)C13 s(37.42%)p0.02(0.81%)d1.65(61.77%)	0.000051916	3.144354578 Hartree
206	RY*(10)C13 s(46.75%)p0.00(0.15%)d1.14(53.10%)	0.000014432	3.264285799 Hartree
207	RY*(1)C14 s(0.05%)p99.99(93.09%)d99.99(6.86%)	0.005855172	1.276344877 Hartree
208	RY*(2)C14 s(0.41%)p99.99(97.26%)d5.64(2.33%)	0.002718223	0.811167226 Hartree
209	RY*(3)C14 s(0.91%)p65.64(59.50%)d43.67(39.59%)	0.000782392	1.154626019 Hartree
210	RY*(4)C14 s(2.59%)p12.73(33.01%)d24.84(64.40%)	0.000574906	1.483311236 Hartree
211	RY*(5)C14 s(94.90%)p0.03(3.23%)d0.02(1.87%)	0.000367321	1.095098960 Hartree
212	RY*(6)C14 s(0.40%)p5.88(2.33%)d99.99(97.28%)	0.000110498	2.385009036 Hartree
213	RY*(7)C14 s(68.76%)p0.00(0.13%)d0.45(31.11%)	0.000050735	3.585290794 Hartree
214	RY*(8)C14 s(1.61%)p4.18(6.75%)d56.82(91.64%)	0.000026392	2.291264580 Hartree
215	RY*(9)C14 s(1.39%)p3.30(4.60%)d67.52(94.01%)	0.000014158	1.827111170 Hartree
216	RY*(10)C14 s(29.00%)p0.01(0.25%)d2.44(70.74%)	0.000009460	2.775991504 Hartree
217	RY*(1)C15 s(0.60%)p99.99(92.30%)d11.78(7.10%)	0.005099196	1.269196438 Hartree
218	RY*(2)C15 s(0.14%)p99.99(98.43%)d10.05(1.42%)	0.002830681	0.712093445 Hartree
219	RY*(3)C15 s(0.11%)p5.85(0.65%)d99.99(99.24%)	0.000580229	1.937100666 Hartree
220	RY*(4)C15 s(1.47%)p60.57(89.14%)d6.38(9.39%)	0.000440111	0.716153002 Hartree
221	RY*(5)C15 s(95.22%)p0.01(1.36%)d0.04(3.42%)	0.000278749	1.123984485 Hartree
222	RY*(6)C15 s(0.49%)p3.10(1.53%)d99.99(97.98%)	0.000104275	2.355461439 Hartree
223	RY*(7)C15 s(54.26%)p0.00(0.27%)d0.84(45.47%)	0.000046874	3.419861910 Hartree
224	RY*(8)C15 s(6.62%)p0.99(6.54%)d13.11(86.84%)	0.000006970	2.041641047 Hartree
225	RY*(9)C15 s(9.49%)p0.75(7.10%)d8.79(83.40%)	0.000011789	2.196052032 Hartree
226	RY*(10)C15 s(31.62%)p0.09(2.82%)d2.07(65.56%)	0.000005242	2.666389242 Hartree
227	RY*(1)C16 s(0.58%)p99.99(91.91%)d13.06(7.52%)	0.004789461	1.271561380 Hartree
228	RY*(2)C16 s(0.00%)p1.00(98.48%)d0.02(1.52%)	0.002726342	0.707998140 Hartree
229	RY*(3)C16 s(0.00%)p1.00(1.56%)d62.91(98.43%)	0.000623217	1.922172993 Hartree
230	RY*(4)C16 s(0.09%)p99.99(88.93%)d99.99(10.98%)	0.000449121	0.727526069 Hartree
231	RY*(5)C16 s(95.91%)p0.00(0.16%)d0.04(3.93%)	0.000252447	1.097357722 Hartree
232	RY*(6)C16 s(0.00%)p1.00(1.57%)d62.80(98.43%)	0.000104050	2.360285035 Hartree
233	RY*(7)C16 s(55.49%)p0.00(0.21%)d0.80(44.30%)	0.000047632	3.458471912 Hartree
234	RY*(8)C16 s(19.41%)p0.23(4.50%)d3.92(76.09%)	0.000004139	2.361645073 Hartree
235	RY*(9)C16 s(6.21%)p1.28(7.98%)d13.81(85.81%)	0.000012446	2.105999018 Hartree
236	RY*(10)C16 s(22.34%)p0.22(4.84%)d3.26(72.81%)	0.000003727	2.373517945 Hartree
237	RY*(1)C17 s(0.53%)p99.99(92.40%)d13.33(7.07%)	0.005115944	1.265864983 Hartree
238	RY*(2)C17 s(0.15%)p99.99(98.41%)d9.30(1.43%)	0.002843389	0.709170596 Hartree
239	RY*(3)C17 s(0.08%)p1.55(0.12%)d99.99(99.81%)	0.000592940	1.944929672 Hartree
240	RY*(4)C17 s(0.57%)p99.99(89.98%)d16.55(9.45%)	0.000447461	0.710126504 Hartree
241	RY*(5)C17 s(96.32%)p0.01(0.70%)d0.03(2.99%)	0.000284435	1.127591619 Hartree
242	RY*(6)C17 s(0.66%)p2.36(1.55%)d99.99(97.79%)	0.000103031	2.352902674 Hartree
243	RY*(7)C17 s(53.79%)p0.00(0.24%)d0.85(45.97%)	0.000046919	3.403577935 Hartree
244	RY*(8)C17 s(39.83%)p0.02(0.99%)d1.49(59.18%)	0.000006854	2.918746759 Hartree
245	RY*(9)C17 s(6.36%)p1.13(7.20%)d13.58(86.43%)	0.000012225	2.182359960 Hartree
246	RY*(10)C17 s(1.74%)p4.90(8.54%)d51.45(89.71%)	0.000002835	1.808281232 Hartree
247	RY*(1)C18 s(0.05%)p99.99(92.91%)d99.99(7.04%)	0.005731947	1.268674689 Hartree
248	RY*(2)C18 s(0.57%)p99.99(97.55%)d3.32(1.88%)	0.002758784	0.808346315 Hartree
249	RY*(3)C18 s(0.30%)p99.99(74.24%)d84.00(25.46%)	0.000998343	0.969540408 Hartree
250	RY*(4)C18 s(0.04%)p99.99(22.52%)d99.99(77.44%)	0.000574847	1.653855405 Hartree
251	RY*(5)C18 s(98.68%)p0.01(0.73%)d0.01(0.59%)	0.000347050	1.098891309 Hartree
252	RY*(6)C18 s(0.06%)p35.11(2.05%)d99.99(97.89%)	0.000119776	2.387990046 Hartree
253	RY*(7)C18 s(66.69%)p0.01(0.69%)d0.49(32.62%)	0.000051113	3.484864838 Hartree
254	RY*(8)C18 s(0.87%)p6.65(5.80%)d99.99(93.33%)	0.000035851	2.306307520 Hartree
255	RY*(9)C18 s(14.88%)p0.19(2.83%)d5.53(82.29%)	0.000025173	2.254938359 Hartree
256	RY*(10)C18 s(17.88%)p0.05(0.83%)d4.55(81.29%)	0.000016219	2.448372266 Hartree
257	RY*(1)H19 s(100.00%)	0.001037524	0.625478407 Hartree
258	RY*(1)H20 s(100.00%)	0.000859985	0.562758793 Hartree
259	RY*(1)H21 s(100.00%)	0.000838491	0.561396618 Hartree
260	RY*(1)H22 s(100.00%)	0.000848712	0.563080975 Hartree
261	RY*(1)H23 s(100.00%)	0.001152039	0.663574218 Hartree
262	RY*(1)C24 s(17.24%)p4.76(82.04%)d0.04(0.73%)	0.007463542	1.102848077 Hartree
263	RY*(2)C24 s(19.56%)p3.79(74.14%)d0.32(6.30%)	0.004267151	1.162804782 Hartree
264	RY*(3)C24 s(52.22%)p0.83(43.41%)d0.08(4.36%)	0.002291441	1.108835270 Hartree
265	RY*(4)C24 s(4.35%)p21.42(93.27%)d0.55(2.38%)	0.001033799	0.819063506 Hartree
266	RY*(5)C24 s(0.02%)p2.19(0.05%)d99.99(99.92%)	0.000637532	1.941066290 Hartree
267	RY*(6)C24 s(1.69%)p0.52(0.88%)d57.70(97.43%)	0.000238936	2.439470790 Hartree
268	RY*(7)C24 s(0.28%)p4.68(1.31%)d99.99(98.41%)	0.000139458	1.859560032 Hartree
269	RY*(8)C24 s(21.45%)p0.18(3.77%)d3.49(74.78%)	0.000096038	2.409271606 Hartree
270	RY*(9)C24 s(30.33%)p0.03(1.00%)d2.26(68.67%)	0.000049474	3.005453185 Hartree
271	RY*(10)C24 s(52.94%)p0.00(0.18%)d0.89(46.89%)	0.000014816	3.396947654 Hartree
272	RY*(1)C25 s(0.83%)p99.99(92.88%)d7.54(6.28%)	0.006607452	1.268437253 Hartree
273	RY*(2)C25 s(0.06%)p99.99(97.82%)d37.13(2.12%)	0.002671440	0.801352062 Hartree
274	RY*(3)C25 s(0.86%)p59.81(51.62%)d55.05(47.51%)	0.000857156	1.260075419 Hartree
275	RY*(4)C25 s(90.86%)p0.05(4.36%)d0.05(4.78%)	0.000680452	1.080457521 Hartree
276	RY*(5)C25 s(4.05%)p9.88(40.00%)d13.81(55.95%)	0.000458547	1.380699455 Hartree
277	RY*(6)C25 s(2.20%)p0.99(2.17%)d43.54(95.64%)	0.000112722	2.373945410 Hartree
278	RY*(7)C25 s(71.29%)p0.00(0.07%)d0.40(28.63%)	0.000052021	3.699299299 Hartree
279	RY*(8)C25 s(17.74%)p0.09(1.65%)d4.54(80.61%)	0.000014819	2.587048579 Hartree
280	RY*(9)C25 s(7.00%)p0.54(3.79%)d12.73(89.20%)	0.000016527	2.051092803 Hartree
281	RY*(10)C25 s(5.13%)p1.13(5.78%)d17.38(89.09%)	0.000019887	2.177114509 Hartree
282	RY*(1)C26 s(0.49%)p99.99(92.17%)d15.07(7.34%)	0.005063976	1.271464130 Hartree
283	RY*(2)C26 s(0.10%)p99.99(98.50%)d13.93(1.40%)	0.002824278	0.709481071 Hartree
284	RY*(3)C26 s(0.00%)p1.00(2.84%)d34.23(97.16%)	0.000584735	1.909110725 Hartree
285	RY*(4)C26 s(0.41%)p99.99(86.67%)d31.46(12.92%)	0.000402475	0.756582300 Hartree
286	RY*(5)C26 s(96.79%)p0.01(0.52%)d0.03(2.69%)	0.000260989	1.136652273 Hartree
287	RY*(6)C26 s(0.22%)p6.83(1.48%)d99.99(98.30%)	0.000107846	2.362071240 Hartree
288	RY*(7)C26 s(55.79%)p0.00(0.26%)d0.79(43.95%)	0.000046589	3.438000315 Hartree
289	RY*(8)C26 s(2.25%)p3.39(7.63%)d40.05(90.12%)	0.000012330	2.078464429 Hartree
290	RY*(9)C26 s(31.87%)p0.08(2.40%)d2.06(65.73%)	0.000006493	2.701396376 Hartree
291	RY*(10)C26 s(12.12%)p0.63(7.67%)d6.62(80.21%)	0.000003701	2.078477219 Hartree
292	RY*(1)C27 s(0.60%)p99.99(91.91%)d12.50(7.49%)	0.004814128	1.271086202 Hartree
293	RY*(2)C27 s(0.00%)p1.00(98.48%)d0.02(1.52%)	0.002724527	0.708774641 Hartree
294	RY*(3)C27 s(0.00%)p1.00(1.14%)d86.70(98.86%)	0.000617537	1.928800295 Hartree
295	RY*(4)C27 s(0.09%)p99.99(89.10%)d99.99(10.81%)	0.000441182	0.724993089 Hartree
296	RY*(5)C27 s(96.46%)p0.00(0.21%)d0.03(3.33%)	0.000263877	1.079302999 Hartree
297	RY*(6)C27 s(0.00%)p1.00(1.57%)d62.71(98.43%)	0.000104126	2.360260407 Hartree
298	RY*(7)C27 s(55.98%)p0.00(0.19%)d0.78(43.83%)	0.000047485	3.467816312 Hartree
299	RY*(8)C27 s(19.66%)p0.32(6.22%)d3.77(74.12%)	0.000012880	2.449522198 Hartree
300	RY*(9)C27 s(0.67%)p14.26(9.54%)d99.99(89.79%)	0.000000259	1.730089408 Hartree
301	RY*(10)C27 s(26.57%)p0.07(1.79%)d2.70(71.64%)	0.000007117	2.669194786 Hartree
302	RY*(1)C28 s(0.59%)p99.99(92.35%)d11.94(7.06%)	0.005188421	1.266216718 Hartree
303	RY*(2)C28 s(0.17%)p99.99(98.44%)d7.97(1.39%)	0.002845918	0.708683013 Hartree
304	RY*(3)C28 s(0.12%)p56.47(6.68%)d99.99(93.20%)	0.000612324	1.859941989 Hartree
305	RY*(4)C28 s(0.07%)p99.99(83.45%)d99.99(16.49%)	0.000432830	0.802029002 Hartree
306	RY*(5)C28 s(96.76%)p0.00(0.31%)d0.03(2.93%)	0.000298549	1.104621318 Hartree
307	RY*(6)C28 s(0.96%)p1.58(1.52%)d99.99(97.52%)	0.000104038	2.349670689 Hartree
308	RY*(7)C28 s(57.21%)p0.00(0.16%)d0.75(42.64%)	0.000047243	3.469235622 Hartree
309	RY*(8)C28 s(39.96%)p0.04(1.61%)d1.46(58.42%)	0.000009119	2.942211592 Hartree
310	RY*(9)C28 s(3.42%)p2.36(8.07%)d25.91(88.51%)	0.000004024	1.916139349 Hartree
311	RY*(10)C28 s(0.78%)p9.70(7.55%)d99.99(91.67%)	0.000010392	2.015443458 Hartree
312	RY*(1)C29 s(0.34%)p99.99(92.30%)d21.39(7.35%)	0.005843884	1.274736880 Hartree
313	RY*(2)C29 s(0.20%)p99.99(98.02%)d8.91(1.78%)	0.002836438	0.798252757 Hartree
314	RY*(3)C29 s(1.06%)p59.89(63.37%)d33.62(35.57%)	0.000763751	1.129753746 Hartree
315	RY*(4)C29 s(0.14%)p99.99(31.90%)d99.99(67.96%)	0.000573886	1.542126159 Hartree
316	RY*(5)C29 s(97.26%)p0.01(1.26%)d0.02(1.49%)	0.000331364	1.166135715 Hartree
317	RY*(6)C29 s(0.32%)p6.73(2.17%)d99.99(97.51%)	0.000118144	2.389832702 Hartree
318	RY*(7)C29 s(59.97%)p0.02(1.03%)d0.65(39.00%)	0.000050185	3.319777412 Hartree
319	RY*(8)C29 s(5.64%)p0.69(3.90%)d16.04(90.46%)	0.000033827	1.953373724 Hartree
320	RY*(9)C29 s(3.87%)p1.31(5.06%)d23.54(91.07%)	0.000037227	2.394155269 Hartree
321	RY*(10)C29 s(31.22%)p0.04(1.13%)d2.17(67.65%)	0.000014456	2.826556659 Hartree
322	RY*(1)H30 s(100.00%)	0.001051986	0.630210089 Hartree
323	RY*(1)H31 s(100.00%)	0.000899351	0.562195375 Hartree
324	RY*(1)H32 s(100.00%)	0.000839748	0.561913871 Hartree
325	RY*(1)H33 s(100.00%)	0.000890015	0.564563748 Hartree
326	RY*(1)H34 s(100.00%)	0.001660139	0.631095652 Hartree
327	RY*(1)C35 s(11.25%)p7.63(85.79%)d0.26(2.96%)	0.001416480	0.870417782 Hartree
328	RY*(2)C35 s(0.23%)p99.99(96.18%)d15.65(3.59%)	0.001124631	0.985718881 Hartree
329	RY*(3)C35 s(8.99%)p10.02(90.05%)d0.11(0.96%)	0.000501752	0.822188551 Hartree
330	RY*(4)C35 s(77.90%)p0.25(19.81%)d0.03(2.29%)	0.000287676	1.101837801 Hartree
331	RY*(5)C35 s(0.61%)p5.36(3.29%)d99.99(96.10%)	0.000048903	2.166424707 Hartree
332	RY*(6)C35 s(8.49%)p0.10(0.85%)d10.68(90.66%)	0.000021593	2.361478970 Hartree
333	RY*(7)C35 s(91.38%)p0.01(0.89%)d0.08(7.73%)	0.000003374	4.073805291 Hartree
334	RY*(8)C35 s(0.03%)p99.99(2.74%)d99.99(97.23%)	0.000004713	1.944939236 Hartree
335	RY*(9)C35 s(0.48%)p0.27(0.13%)d99.99(99.39%)	0.000007664	1.834973138 Hartree
336	RY*(10)C35 s(0.82%)p0.34(0.28%)d99.99(98.90%)	0.000009107	2.094205322 Hartree
337	RY*(1)H36 s(100.00%)	0.000460982	0.706945203 Hartree
338	RY*(1)H37 s(100.00%)	0.000474175	0.694807971 Hartree

Natural Bond Orbitals

Display Range		- / 338
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	BD(1)P1-C2	1640, 1641	1.960646121	-0.575050739 Hartree
2	BD(1)P1-C13	1642, 1643	1.958753572	-0.575742649 Hartree
3	BD(1)P1-C24	1644, 1645	1.957490361	-0.552194406 Hartree
4	BD(1)P1-C35	1646, 1647	1.979856847	-0.635201224 Hartree
5	BD(1)C2-C3	1648, 1649	1.975373215	-0.687759572 Hartree
6	BD(2)C2-C3	1650, 1651	1.664304908	-0.246377652 Hartree
7	BD(1)C2-C7	1652, 1653	1.977336614	-0.693646243 Hartree
8	BD(1)C3-C4	1654, 1655	1.978605472	-0.688335272 Hartree
9	BD(1)C3-H12	1656, 1657	1.980920964	-0.507931268 Hartree
10	BD(1)C4-C5	1658, 1659	1.981511078	-0.689485808 Hartree
11	BD(2)C4-C5	1660, 1661	1.651678729	-0.244846436 Hartree
12	BD(1)C4-H11	1662, 1663	1.982559717	-0.517730269 Hartree
13	BD(1)C5-C6	1664, 1665	1.981339852	-0.689870265 Hartree
14	BD(1)C5-H10	1666, 1667	1.983215048	-0.521447555 Hartree
15	BD(1)C6-C7	1668, 1669	1.978550526	-0.689869918 Hartree
16	BD(2)C6-C7	1670, 1671	1.656936085	-0.245502063 Hartree
17	BD(1)C6-H9	1672, 1673	1.982694984	-0.519406840 Hartree
18	BD(1)C7-H8	1674, 1675	1.981257814	-0.519126154 Hartree
19	BD(1)C13-C14	1676, 1677	1.975721126	-0.692501470 Hartree
20	BD(1)C13-C18	1678, 1679	1.975618193	-0.693247660 Hartree
21	BD(2)C13-C18	1680, 1681	1.670082217	-0.247787625 Hartree
22	BD(1)C14-C15	1682, 1683	1.978739059	-0.689138149 Hartree
23	BD(2)C14-C15	1684, 1685	1.654176204	-0.243897713 Hartree
24	BD(1)C14-H23	1686, 1687	1.981713116	-0.516692743 Hartree
25	BD(1)C15-C16	1688, 1689	1.981235395	-0.688816550 Hartree
26	BD(1)C15-H22	1690, 1691	1.982575152	-0.518468849 Hartree
27	BD(1)C16-C17	1692, 1693	1.981205038	-0.689461032 Hartree
28	BD(2)C16-C17	1694, 1695	1.655369925	-0.244780114 Hartree
29	BD(1)C16-H21	1696, 1697	1.983063106	-0.520622314 Hartree
30	BD(1)C17-C18	1698, 1699	1.978714374	-0.689796585 Hartree
31	BD(1)C17-H20	1700, 1701	1.982518048	-0.519167373 Hartree
32	BD(1)C18-H19	1702, 1703	1.981649246	-0.518452583 Hartree
33	BD(1)C24-C25	1704, 1705	1.975902773	-0.687086440 Hartree
34	BD(2)C24-C25	1706, 1707	1.661627843	-0.243657271 Hartree
35	BD(1)C24-C29	1708, 1709	1.976874884	-0.692486617 Hartree
36	BD(1)C25-C26	1710, 1711	1.979414971	-0.686667802 Hartree
37	BD(1)C25-H34	1712, 1713	1.981085876	-0.509179121 Hartree
38	BD(1)C26-C27	1714, 1715	1.981300749	-0.687866432 Hartree
39	BD(2)C26-C27	1716, 1717	1.657543171	-0.243648529 Hartree
40	BD(1)C26-H33	1718, 1719	1.982927845	-0.517039565 Hartree
41	BD(1)C27-C28	1720, 1721	1.981163589	-0.687919195 Hartree
42	BD(1)C27-H32	1722, 1723	1.983158409	-0.519893667 Hartree
43	BD(1)C28-C29	1724, 1725	1.978998682	-0.689847772 Hartree
44	BD(2)C28-C29	1726, 1727	1.667470049	-0.246142570 Hartree
45	BD(1)C28-H31	1728, 1729	1.982723264	-0.519033604 Hartree
46	BD(1)C29-H30	1730, 1731	1.982074095	-0.518131626 Hartree
47	BD(1)C35-H36	1732, 1733	1.979031038	-0.471249054 Hartree
48	BD(1)C35-H37	1734, 1735	1.980391161	-0.470617095 Hartree
49	CR(1)P1	1736	1.999999051	-76.088564873 Hartree
50	CR(2)P1	1737	1.998271059	-7.414705543 Hartree
51	CR(3)P1	1738	1.999781189	-4.743443806 Hartree
52	CR(4)P1	1739	1.999776647	-4.743685095 Hartree
53	CR(5)P1	1740	1.999687151	-4.739611112 Hartree
54	CR(1)C2	1741	1.998894397	-10.053521915 Hartree
55	CR(1)C3	1742	1.999031672	-10.040082206 Hartree
56	CR(1)C4	1743	1.999089079	-10.046232787 Hartree
57	CR(1)C5	1744	1.999097536	-10.050158371 Hartree
58	CR(1)C6	1745	1.999097378	-10.047707295 Hartree
59	CR(1)C7	1746	1.999023008	-10.044610600 Hartree
60	CR(1)C13	1747	1.998895779	-10.053850612 Hartree
61	CR(1)C14	1748	1.999020361	-10.044504998 Hartree
62	CR(1)C15	1749	1.999095752	-10.046909709 Hartree
63	CR(1)C16	1750	1.999097991	-10.049188918 Hartree
64	CR(1)C17	1751	1.999093787	-10.047295017 Hartree
65	CR(1)C18	1752	1.999028222	-10.045980847 Hartree
66	CR(1)C24	1753	1.998888874	-10.044251850 Hartree
67	CR(1)C25	1754	1.999016483	-10.039438174 Hartree
68	CR(1)C26	1755	1.999091861	-10.045437141 Hartree
69	CR(1)C27	1756	1.999098365	-10.048335373 Hartree
70	CR(1)C28	1757	1.999086635	-10.046847890 Hartree
71	CR(1)C29	1758	1.999019632	-10.043809628 Hartree
72	CR(1)C35	1759	1.999299837	-10.004639885 Hartree
73	LP(1)C35	1760	1.620713486	-0.118396626 Hartree
74	RY*(1)P1	1761	0.047081886	0.835170448 Hartree
75	RY*(2)P1	1762	0.006432808	0.809173974 Hartree
76	RY*(3)P1	1763	0.006185439	0.893900578 Hartree
77	RY*(4)P1	1764	0.004921093	0.731652838 Hartree
78	RY*(5)P1	1765	0.004256113	0.946622900 Hartree
79	RY*(6)P1	1766	0.003352239	0.690513378 Hartree
80	RY*(7)P1	1767	0.002932552	0.746729140 Hartree
81	RY*(8)P1	1768	0.002479644	0.846306077 Hartree
82	RY*(9)P1	1769	0.000677165	0.793835317 Hartree
83	RY*(10)P1	1770	0.000006131	3.503675982 Hartree
84	RY*(1)C2	1771	0.005370796	1.225708106 Hartree
85	RY*(2)C2	1772	0.004060921	1.032998050 Hartree
86	RY*(3)C2	1773	0.002021355	1.138100743 Hartree
87	RY*(4)C2	1774	0.001265238	0.815802665 Hartree
88	RY*(5)C2	1775	0.000653522	1.928160920 Hartree
89	RY*(6)C2	1776	0.000231475	2.390066406 Hartree
90	RY*(7)C2	1777	0.000132253	1.904680622 Hartree
91	RY*(8)C2	1778	0.000097596	2.396760114 Hartree
92	RY*(9)C2	1779	0.000051747	3.206043848 Hartree
93	RY*(10)C2	1780	0.000011171	3.279443539 Hartree
94	RY*(1)C3	1781	0.005958293	1.263373663 Hartree
95	RY*(2)C3	1782	0.003216026	0.806864253 Hartree
96	RY*(3)C3	1783	0.000836095	1.353628865 Hartree
97	RY*(4)C3	1784	0.000499977	1.183817940 Hartree
98	RY*(5)C3	1785	0.000420718	1.236324892 Hartree
99	RY*(6)C3	1786	0.000126292	2.389469095 Hartree
100	RY*(7)C3	1787	0.000052297	3.645425859 Hartree
101	RY*(8)C3	1788	0.000027336	2.103157746 Hartree
102	RY*(9)C3	1789	0.000029062	1.975962748 Hartree
103	RY*(10)C3	1790	0.000010812	2.789654496 Hartree
104	RY*(1)C4	1791	0.005108026	1.269538047 Hartree
105	RY*(2)C4	1792	0.002794667	0.711036624 Hartree
106	RY*(3)C4	1793	0.000576674	1.886521430 Hartree
107	RY*(4)C4	1794	0.000398198	0.781999097 Hartree
108	RY*(5)C4	1795	0.000284357	1.127326796 Hartree
109	RY*(6)C4	1796	0.000107391	2.360498030 Hartree
110	RY*(7)C4	1797	0.000047302	3.503452014 Hartree
111	RY*(8)C4	1798	0.000004921	1.839711246 Hartree
112	RY*(9)C4	1799	0.000008049	2.403531252 Hartree
113	RY*(10)C4	1800	0.000008819	2.555658800 Hartree
114	RY*(1)C5	1801	0.004803344	1.271526480 Hartree
115	RY*(2)C5	1802	0.002738121	0.706708271 Hartree
116	RY*(3)C5	1803	0.000625809	1.932241342 Hartree
117	RY*(4)C5	1804	0.000426654	0.717493482 Hartree
118	RY*(5)C5	1805	0.000254285	1.091883419 Hartree
119	RY*(6)C5	1806	0.000104687	2.359947956 Hartree
120	RY*(7)C5	1807	0.000047693	3.468509511 Hartree
121	RY*(8)C5	1808	0.000006648	2.820957622 Hartree
122	RY*(9)C5	1809	0.000003997	1.841824282 Hartree
123	RY*(10)C5	1810	0.000010386	2.167686743 Hartree
124	RY*(1)C6	1811	0.005153829	1.267183760 Hartree
125	RY*(2)C6	1812	0.002801275	0.711129825 Hartree
126	RY*(3)C6	1813	0.000573897	1.920651067 Hartree
127	RY*(4)C6	1814	0.000401141	0.745969213 Hartree
128	RY*(5)C6	1815	0.000277723	1.132003512 Hartree
129	RY*(6)C6	1816	0.000105263	2.353016036 Hartree
130	RY*(7)C6	1817	0.000046666	3.411160095 Hartree
131	RY*(8)C6	1818	0.000007155	2.445354812 Hartree
132	RY*(9)C6	1819	0.000007943	2.574519541 Hartree
133	RY*(10)C6	1820	0.000005407	1.869453696 Hartree
134	RY*(1)C7	1821	0.005743744	1.281870192 Hartree
135	RY*(2)C7	1822	0.002748931	0.826187044 Hartree
136	RY*(3)C7	1823	0.000794535	1.384654850 Hartree
137	RY*(4)C7	1824	0.000456715	1.249253750 Hartree
138	RY*(5)C7	1825	0.000367351	1.093671680 Hartree
139	RY*(6)C7	1826	0.000107364	2.391802720 Hartree
140	RY*(7)C7	1827	0.000053508	3.569155241 Hartree
141	RY*(8)C7	1828	0.000026005	2.338683309 Hartree
142	RY*(9)C7	1829	0.000016072	1.853260036 Hartree
143	RY*(10)C7	1830	0.000009229	2.706487798 Hartree
144	RY*(1)H8	1831	0.001252025	0.713602513 Hartree
145	RY*(1)H9	1832	0.000849871	0.561619734 Hartree
146	RY*(1)H10	1833	0.000844884	0.560663237 Hartree
147	RY*(1)H11	1834	0.000850360	0.564377471 Hartree
148	RY*(1)H12	1835	0.001795303	0.650493779 Hartree
149	RY*(1)C13	1836	0.005653120	1.241069976 Hartree
150	RY*(2)C13	1837	0.003475988	0.981127793 Hartree
151	RY*(3)C13	1838	0.001882537	0.845718201 Hartree
152	RY*(4)C13	1839	0.001484383	1.154624936 Hartree
153	RY*(5)C13	1840	0.000679380	1.927122323 Hartree
154	RY*(6)C13	1841	0.000232403	2.419098476 Hartree
155	RY*(7)C13	1842	0.000137709	1.908104962 Hartree
156	RY*(8)C13	1843	0.000092285	2.406945233 Hartree
157	RY*(9)C13	1844	0.000051916	3.144354578 Hartree
158	RY*(10)C13	1845	0.000014432	3.264285799 Hartree
159	RY*(1)C14	1846	0.005855172	1.276344877 Hartree
160	RY*(2)C14	1847	0.002718223	0.811167226 Hartree
161	RY*(3)C14	1848	0.000782392	1.154626019 Hartree
162	RY*(4)C14	1849	0.000574906	1.483311236 Hartree
163	RY*(5)C14	1850	0.000367321	1.095098960 Hartree
164	RY*(6)C14	1851	0.000110498	2.385009036 Hartree
165	RY*(7)C14	1852	0.000050735	3.585290794 Hartree
166	RY*(8)C14	1853	0.000026392	2.291264580 Hartree
167	RY*(9)C14	1854	0.000014158	1.827111170 Hartree
168	RY*(10)C14	1855	0.000009460	2.775991504 Hartree
169	RY*(1)C15	1856	0.005099196	1.269196438 Hartree
170	RY*(2)C15	1857	0.002830681	0.712093445 Hartree
171	RY*(3)C15	1858	0.000580229	1.937100666 Hartree
172	RY*(4)C15	1859	0.000440111	0.716153002 Hartree
173	RY*(5)C15	1860	0.000278749	1.123984485 Hartree
174	RY*(6)C15	1861	0.000104275	2.355461439 Hartree
175	RY*(7)C15	1862	0.000046874	3.419861910 Hartree
176	RY*(8)C15	1863	0.000006970	2.041641047 Hartree
177	RY*(9)C15	1864	0.000011789	2.196052032 Hartree
178	RY*(10)C15	1865	0.000005242	2.666389242 Hartree
179	RY*(1)C16	1866	0.004789461	1.271561380 Hartree
180	RY*(2)C16	1867	0.002726342	0.707998140 Hartree
181	RY*(3)C16	1868	0.000623217	1.922172993 Hartree
182	RY*(4)C16	1869	0.000449121	0.727526069 Hartree
183	RY*(5)C16	1870	0.000252447	1.097357722 Hartree
184	RY*(6)C16	1871	0.000104050	2.360285035 Hartree
185	RY*(7)C16	1872	0.000047632	3.458471912 Hartree
186	RY*(8)C16	1873	0.000004139	2.361645073 Hartree
187	RY*(9)C16	1874	0.000012446	2.105999018 Hartree
188	RY*(10)C16	1875	0.000003727	2.373517945 Hartree
189	RY*(1)C17	1876	0.005115944	1.265864983 Hartree
190	RY*(2)C17	1877	0.002843389	0.709170596 Hartree
191	RY*(3)C17	1878	0.000592940	1.944929672 Hartree
192	RY*(4)C17	1879	0.000447461	0.710126504 Hartree
193	RY*(5)C17	1880	0.000284435	1.127591619 Hartree
194	RY*(6)C17	1881	0.000103031	2.352902674 Hartree
195	RY*(7)C17	1882	0.000046919	3.403577935 Hartree
196	RY*(8)C17	1883	0.000006854	2.918746759 Hartree
197	RY*(9)C17	1884	0.000012225	2.182359960 Hartree
198	RY*(10)C17	1885	0.000002835	1.808281232 Hartree
199	RY*(1)C18	1886	0.005731947	1.268674689 Hartree
200	RY*(2)C18	1887	0.002758784	0.808346315 Hartree
201	RY*(3)C18	1888	0.000998343	0.969540408 Hartree
202	RY*(4)C18	1889	0.000574847	1.653855405 Hartree
203	RY*(5)C18	1890	0.000347050	1.098891309 Hartree
204	RY*(6)C18	1891	0.000119776	2.387990046 Hartree
205	RY*(7)C18	1892	0.000051113	3.484864838 Hartree
206	RY*(8)C18	1893	0.000035851	2.306307520 Hartree
207	RY*(9)C18	1894	0.000025173	2.254938359 Hartree
208	RY*(10)C18	1895	0.000016219	2.448372266 Hartree
209	RY*(1)H19	1896	0.001037524	0.625478407 Hartree
210	RY*(1)H20	1897	0.000859985	0.562758793 Hartree
211	RY*(1)H21	1898	0.000838491	0.561396618 Hartree
212	RY*(1)H22	1899	0.000848712	0.563080975 Hartree
213	RY*(1)H23	1900	0.001152039	0.663574218 Hartree
214	RY*(1)C24	1901	0.007463542	1.102848077 Hartree
215	RY*(2)C24	1902	0.004267151	1.162804782 Hartree
216	RY*(3)C24	1903	0.002291441	1.108835270 Hartree
217	RY*(4)C24	1904	0.001033799	0.819063506 Hartree
218	RY*(5)C24	1905	0.000637532	1.941066290 Hartree
219	RY*(6)C24	1906	0.000238936	2.439470790 Hartree
220	RY*(7)C24	1907	0.000139458	1.859560032 Hartree
221	RY*(8)C24	1908	0.000096038	2.409271606 Hartree
222	RY*(9)C24	1909	0.000049474	3.005453185 Hartree
223	RY*(10)C24	1910	0.000014816	3.396947654 Hartree
224	RY*(1)C25	1911	0.006607452	1.268437253 Hartree
225	RY*(2)C25	1912	0.002671440	0.801352062 Hartree
226	RY*(3)C25	1913	0.000857156	1.260075419 Hartree
227	RY*(4)C25	1914	0.000680452	1.080457521 Hartree
228	RY*(5)C25	1915	0.000458547	1.380699455 Hartree
229	RY*(6)C25	1916	0.000112722	2.373945410 Hartree
230	RY*(7)C25	1917	0.000052021	3.699299299 Hartree
231	RY*(8)C25	1918	0.000014819	2.587048579 Hartree
232	RY*(9)C25	1919	0.000016527	2.051092803 Hartree
233	RY*(10)C25	1920	0.000019887	2.177114509 Hartree
234	RY*(1)C26	1921	0.005063976	1.271464130 Hartree
235	RY*(2)C26	1922	0.002824278	0.709481071 Hartree
236	RY*(3)C26	1923	0.000584735	1.909110725 Hartree
237	RY*(4)C26	1924	0.000402475	0.756582300 Hartree
238	RY*(5)C26	1925	0.000260989	1.136652273 Hartree
239	RY*(6)C26	1926	0.000107846	2.362071240 Hartree
240	RY*(7)C26	1927	0.000046589	3.438000315 Hartree
241	RY*(8)C26	1928	0.000012330	2.078464429 Hartree
242	RY*(9)C26	1929	0.000006493	2.701396376 Hartree
243	RY*(10)C26	1930	0.000003701	2.078477219 Hartree
244	RY*(1)C27	1931	0.004814128	1.271086202 Hartree
245	RY*(2)C27	1932	0.002724527	0.708774641 Hartree
246	RY*(3)C27	1933	0.000617537	1.928800295 Hartree
247	RY*(4)C27	1934	0.000441182	0.724993089 Hartree
248	RY*(5)C27	1935	0.000263877	1.079302999 Hartree
249	RY*(6)C27	1936	0.000104126	2.360260407 Hartree
250	RY*(7)C27	1937	0.000047485	3.467816312 Hartree
251	RY*(8)C27	1938	0.000012880	2.449522198 Hartree
252	RY*(9)C27	1939	0.000000259	1.730089408 Hartree
253	RY*(10)C27	1940	0.000007117	2.669194786 Hartree
254	RY*(1)C28	1941	0.005188421	1.266216718 Hartree
255	RY*(2)C28	1942	0.002845918	0.708683013 Hartree
256	RY*(3)C28	1943	0.000612324	1.859941989 Hartree
257	RY*(4)C28	1944	0.000432830	0.802029002 Hartree
258	RY*(5)C28	1945	0.000298549	1.104621318 Hartree
259	RY*(6)C28	1946	0.000104038	2.349670689 Hartree
260	RY*(7)C28	1947	0.000047243	3.469235622 Hartree
261	RY*(8)C28	1948	0.000009119	2.942211592 Hartree
262	RY*(9)C28	1949	0.000004024	1.916139349 Hartree
263	RY*(10)C28	1950	0.000010392	2.015443458 Hartree
264	RY*(1)C29	1951	0.005843884	1.274736880 Hartree
265	RY*(2)C29	1952	0.002836438	0.798252757 Hartree
266	RY*(3)C29	1953	0.000763751	1.129753746 Hartree
267	RY*(4)C29	1954	0.000573886	1.542126159 Hartree
268	RY*(5)C29	1955	0.000331364	1.166135715 Hartree
269	RY*(6)C29	1956	0.000118144	2.389832702 Hartree
270	RY*(7)C29	1957	0.000050185	3.319777412 Hartree
271	RY*(8)C29	1958	0.000033827	1.953373724 Hartree
272	RY*(9)C29	1959	0.000037227	2.394155269 Hartree
273	RY*(10)C29	1960	0.000014456	2.826556659 Hartree
274	RY*(1)H30	1961	0.001051986	0.630210089 Hartree
275	RY*(1)H31	1962	0.000899351	0.562195375 Hartree
276	RY*(1)H32	1963	0.000839748	0.561913871 Hartree
277	RY*(1)H33	1964	0.000890015	0.564563748 Hartree
278	RY*(1)H34	1965	0.001660139	0.631095652 Hartree
279	RY*(1)C35	1966	0.001416480	0.870417782 Hartree
280	RY*(2)C35	1967	0.001124631	0.985718881 Hartree
281	RY*(3)C35	1968	0.000501752	0.822188551 Hartree
282	RY*(4)C35	1969	0.000287676	1.101837801 Hartree
283	RY*(5)C35	1970	0.000048903	2.166424707 Hartree
284	RY*(6)C35	1971	0.000021593	2.361478970 Hartree
285	RY*(7)C35	1972	0.000003374	4.073805291 Hartree
286	RY*(8)C35	1973	0.000004713	1.944939236 Hartree
287	RY*(9)C35	1974	0.000007664	1.834973138 Hartree
288	RY*(10)C35	1975	0.000009107	2.094205322 Hartree
289	RY*(1)H36	1976	0.000460982	0.706945203 Hartree
290	RY*(1)H37	1977	0.000474175	0.694807971 Hartree
291	BD*(1)P1-C2		0.100384785	0.237635282 Hartree
292	BD*(1)P1-C13		0.099177824	0.240745264 Hartree
293	BD*(1)P1-C24		0.233207637	0.224376502 Hartree
294	BD*(1)P1-C35		0.024975356	0.355315582 Hartree
295	BD*(1)C2-C3		0.021250135	0.567100849 Hartree
296	BD*(2)C2-C3		0.362851163	0.028897046 Hartree
297	BD*(1)C2-C7		0.023188936	0.570103415 Hartree
298	BD*(1)C3-C4		0.016951403	0.588153944 Hartree
299	BD*(1)C3-H12		0.018115288	0.496088473 Hartree
300	BD*(1)C4-C5		0.016058766	0.580945459 Hartree
301	BD*(2)C4-C5		0.323380184	0.036218959 Hartree
302	BD*(1)C4-H11		0.012429254	0.476474015 Hartree
303	BD*(1)C5-C6		0.015798936	0.579748841 Hartree
304	BD*(1)C5-H10		0.012261854	0.473990563 Hartree
305	BD*(1)C6-C7		0.016106479	0.584979168 Hartree
306	BD*(2)C6-C7		0.312023917	0.036408598 Hartree
307	BD*(1)C6-H9		0.012196844	0.474373325 Hartree
308	BD*(1)C7-H8		0.015609962	0.487327506 Hartree
309	BD*(1)C13-C14		0.022103699	0.570656545 Hartree
310	BD*(1)C13-C18		0.022075757	0.565950895 Hartree
311	BD*(2)C13-C18		0.369164090	0.028033027 Hartree
312	BD*(1)C14-C15		0.016004727	0.585557298 Hartree
313	BD*(2)C14-C15		0.313307997	0.038181378 Hartree
314	BD*(1)C14-H23		0.014305827	0.484375909 Hartree
315	BD*(1)C15-C16		0.015723845	0.580548348 Hartree
316	BD*(1)C15-H22		0.012116348	0.475687789 Hartree
317	BD*(1)C16-C17		0.015665096	0.581089604 Hartree
318	BD*(2)C16-C17		0.326128046	0.036355451 Hartree
319	BD*(1)C16-H21		0.012123060	0.474855711 Hartree
320	BD*(1)C17-C18		0.016704923	0.583558660 Hartree
321	BD*(1)C17-H20		0.012127021	0.475002571 Hartree
322	BD*(1)C18-H19		0.013446677	0.479216284 Hartree
323	BD*(1)C24-C25		0.020655121	0.576907854 Hartree
324	BD*(2)C24-C25		0.346256505	0.034944143 Hartree
325	BD*(1)C24-C29		0.024449217	0.568750693 Hartree
326	BD*(1)C25-C26		0.016524178	0.587100712 Hartree
327	BD*(1)C25-H34		0.019387049	0.484625369 Hartree
328	BD*(1)C26-C27		0.015925834	0.582200486 Hartree
329	BD*(2)C26-C27		0.323651074	0.037527165 Hartree
330	BD*(1)C26-H33		0.012594721	0.476662304 Hartree
331	BD*(1)C27-C28		0.015755542	0.579581928 Hartree
332	BD*(1)C27-H32		0.012110604	0.475140677 Hartree
333	BD*(1)C28-C29		0.017813809	0.584022412 Hartree
334	BD*(2)C28-C29		0.321126594	0.035690844 Hartree
335	BD*(1)C28-H31		0.012522546	0.473945596 Hartree
336	BD*(1)C29-H30		0.014907549	0.476418098 Hartree
337	BD*(1)C35-H36		0.006185260	0.504601522 Hartree
338	BD*(1)C35-H37		0.005408478	0.510523155 Hartree

Quote

IF YOU WISH TO UNDERSTAND THE FRAGRANCE OF THE ROSE, OR THE TENACITY OF THE OAK; IF YOU ARE NOT SATISFIED UNTIL YOU KNOW THE SECRET PATHS BY WHICH THE SUNSHINE AND THE AIR ACHIEVE THESE WONDERS; IF YOU WISH TO SEE THE PATTERN WHICH UNDERLIES ONE LARGE FIELD OF HUMAN EXPERIENCE AND HUMAN MEASUREMENT, THEN TAKE UP CHEMISTRY. -- C. A. COULSON, 1973.