WebMO Job Summary

Overview

Quantity	Value
Route	#N B3LYP/6-31G(d) SP GFINPUT POP=(FULL,NBORead) Geom=Connectivity
Stoichiometry	C₁₄H₁₂(3)
Symmetry	C2H
Basis	6-31G(d)
UB3LYP Energy	-540.577390225 Hartree
Dipole Moment	0.0000 Debye
Server	default (2773612)
CPU time	162.7 sec

Rotational Constants

Constant	Frequency (GHz)	Frequency (cm^-1)
a	2.5953670	0.08657212451
b	0.2620468	0.00874094037
c	0.2380151	0.00793932915

Molecular Orbitals

Display Range		- / 468
Orbital	Symmetry	Occupancy	Energy	Actions
1	BU	1	-10.20954 Hartree
2	AG	1	-10.20954 Hartree
3	BU	1	-10.19811 Hartree
4	AG	1	-10.19811 Hartree
5	BU	1	-10.19798 Hartree
6	AG	1	-10.19798 Hartree
7	BU	1	-10.19768 Hartree
8	AG	1	-10.19768 Hartree
9	BU	1	-10.19705 Hartree
10	AG	1	-10.19705 Hartree
11	AG	1	-10.19695 Hartree
12	BU	1	-10.19640 Hartree
13	AG	1	-10.19640 Hartree
14	BU	1	-10.19592 Hartree
15	AG	1	-0.85412 Hartree
16	BU	1	-0.84296 Hartree
17	AG	1	-0.80370 Hartree
18	BU	1	-0.74926 Hartree
19	BU	1	-0.73937 Hartree
20	AG	1	-0.73860 Hartree
21	AG	1	-0.71576 Hartree
22	BU	1	-0.62532 Hartree
23	BU	1	-0.60691 Hartree
24	AG	1	-0.60369 Hartree
25	AG	1	-0.58467 Hartree
26	BU	1	-0.54883 Hartree
27	BU	1	-0.52034 Hartree
28	AG	1	-0.50818 Hartree
29	BU	1	-0.46975 Hartree
30	AG	1	-0.46192 Hartree
31	AG	1	-0.45190 Hartree
32	BU	1	-0.43568 Hartree
33	BU	1	-0.42862 Hartree
34	AG	1	-0.42040 Hartree
35	BU	1	-0.41398 Hartree
36	AG	1	-0.41176 Hartree
37	AU	1	-0.38178 Hartree
38	AG	1	-0.37802 Hartree
39	BG	1	-0.36434 Hartree
40	BU	1	-0.35088 Hartree
41	BU	1	-0.34764 Hartree
42	AG	1	-0.33935 Hartree
43	AG	1	-0.32953 Hartree
44	AU	1	-0.32362 Hartree
45	BG	1	-0.26727 Hartree
46	BG	1	-0.25230 Hartree
47	AU	1	-0.25209 Hartree
48	AU	1	-0.22733 Hartree
49	BG	1	-0.09890 Hartree
50	AU	0	-0.01149 Hartree
51	BG	0	-0.00984 Hartree
52	AU	0	-0.00239 Hartree
53	BG	0	0.04624 Hartree
54	BU	0	0.08649 Hartree
55	AG	0	0.09608 Hartree
56	BU	0	0.09851 Hartree
57	AG	0	0.13065 Hartree
58	AG	0	0.14429 Hartree
59	AU	0	0.14451 Hartree
60	BU	0	0.15123 Hartree
61	BG	0	0.15901 Hartree
62	AG	0	0.16031 Hartree
63	BU	0	0.16126 Hartree
64	AG	0	0.17594 Hartree
65	BU	0	0.17676 Hartree
66	BU	0	0.20837 Hartree
67	AG	0	0.22866 Hartree
68	BU	0	0.25168 Hartree
69	AG	0	0.26411 Hartree
70	BU	0	0.27075 Hartree
71	AG	0	0.28681 Hartree
72	BU	0	0.29076 Hartree
73	AG	0	0.31626 Hartree
74	BU	0	0.32679 Hartree
75	BU	0	0.32932 Hartree
76	AG	0	0.35131 Hartree
77	AG	0	0.38150 Hartree
78	AG	0	0.44852 Hartree
79	BU	0	0.45481 Hartree
80	BU	0	0.49495 Hartree
81	AU	0	0.49851 Hartree
82	BU	0	0.52025 Hartree
83	AG	0	0.52170 Hartree
84	BG	0	0.52385 Hartree
85	AU	0	0.54565 Hartree
86	AG	0	0.54894 Hartree
87	BU	0	0.54970 Hartree
88	AG	0	0.55418 Hartree
89	BU	0	0.55823 Hartree
90	BG	0	0.57368 Hartree
91	AG	0	0.58275 Hartree
92	AG	0	0.58429 Hartree
93	BU	0	0.58799 Hartree
94	AG	0	0.58935 Hartree
95	BU	0	0.59791 Hartree
96	AU	0	0.59927 Hartree
97	BG	0	0.60013 Hartree
98	AG	0	0.60841 Hartree
99	BU	0	0.60989 Hartree
100	AG	0	0.62229 Hartree
101	BU	0	0.62470 Hartree
102	BG	0	0.62925 Hartree
103	AU	0	0.63610 Hartree
104	AU	0	0.66055 Hartree
105	BU	0	0.66552 Hartree
106	BG	0	0.67196 Hartree
107	AU	0	0.72116 Hartree
108	BG	0	0.73063 Hartree
109	BG	0	0.76332 Hartree
110	AU	0	0.77575 Hartree
111	AG	0	0.80351 Hartree
112	BU	0	0.81083 Hartree
113	BU	0	0.82737 Hartree
114	AG	0	0.83552 Hartree
115	BU	0	0.83680 Hartree
116	AG	0	0.83940 Hartree
117	BU	0	0.85571 Hartree
118	AG	0	0.85975 Hartree
119	AG	0	0.88036 Hartree
120	BU	0	0.90262 Hartree
121	AG	0	0.90904 Hartree
122	AG	0	0.92102 Hartree
123	BU	0	0.92136 Hartree
124	BU	0	0.93175 Hartree
125	AG	0	0.94887 Hartree
126	BU	0	0.95147 Hartree
127	AG	0	0.96202 Hartree
128	BU	0	0.99076 Hartree
129	AG	0	1.02137 Hartree
130	AG	0	1.04220 Hartree
131	BU	0	1.04298 Hartree
132	BU	0	1.07033 Hartree
133	AG	0	1.08222 Hartree
134	BU	0	1.11159 Hartree
135	AG	0	1.12648 Hartree
136	BU	0	1.14003 Hartree
137	BU	0	1.17144 Hartree
138	AG	0	1.17160 Hartree
139	BU	0	1.19147 Hartree
140	AG	0	1.22251 Hartree
141	AU	0	1.25040 Hartree
142	BG	0	1.25460 Hartree
143	AG	0	1.29692 Hartree
144	AU	0	1.31643 Hartree
145	BG	0	1.32319 Hartree
146	BU	0	1.33367 Hartree
147	BU	0	1.41113 Hartree
148	AU	0	1.43134 Hartree
149	AG	0	1.43182 Hartree
150	BG	0	1.43654 Hartree
151	AG	0	1.44347 Hartree
152	BU	0	1.44775 Hartree
153	AU	0	1.46186 Hartree
154	BG	0	1.46742 Hartree
155	AU	0	1.48218 Hartree
156	BG	0	1.48357 Hartree
157	AU	0	1.50592 Hartree
158	BG	0	1.50647 Hartree
159	AG	0	1.53140 Hartree
160	AU	0	1.54377 Hartree
161	BU	0	1.59854 Hartree
162	AG	0	1.70911 Hartree
163	BU	0	1.72079 Hartree
164	AG	0	1.76201 Hartree
165	BU	0	1.78247 Hartree
166	BU	0	1.79759 Hartree
167	AG	0	1.79802 Hartree
168	BG	0	1.83055 Hartree
169	AG	0	1.86535 Hartree
170	BU	0	1.86703 Hartree
171	BU	0	1.90763 Hartree
172	AG	0	1.91083 Hartree
173	AU	0	1.95199 Hartree
174	BU	0	1.96133 Hartree
175	AG	0	1.96170 Hartree
176	AG	0	1.97588 Hartree
177	BU	0	1.99718 Hartree
178	AG	0	2.01495 Hartree
179	BU	0	2.01660 Hartree
180	AG	0	2.09202 Hartree
181	BU	0	2.09704 Hartree
182	AG	0	2.11151 Hartree
183	BU	0	2.11740 Hartree
184	BG	0	2.11790 Hartree
185	AU	0	2.12397 Hartree
186	BG	0	2.14137 Hartree
187	AU	0	2.19848 Hartree
188	AG	0	2.21799 Hartree
189	BU	0	2.22095 Hartree
190	BG	0	2.23847 Hartree
191	AU	0	2.27458 Hartree
192	BG	0	2.27554 Hartree
193	AU	0	2.27591 Hartree
194	BG	0	2.29126 Hartree
195	AG	0	2.31728 Hartree
196	AU	0	2.37320 Hartree
197	BU	0	2.42645 Hartree
198	BG	0	2.46271 Hartree
199	AG	0	2.48775 Hartree
200	BU	0	2.55204 Hartree
201	BU	0	2.57074 Hartree
202	AG	0	2.57171 Hartree
203	AG	0	2.59344 Hartree
204	AU	0	2.59632 Hartree
205	BG	0	2.61043 Hartree
206	BU	0	2.66934 Hartree
207	BU	0	2.68025 Hartree
208	AG	0	2.68592 Hartree
209	AG	0	2.71316 Hartree
210	BU	0	2.71915 Hartree
211	AG	0	2.72387 Hartree
212	BU	0	2.73562 Hartree
213	AG	0	2.78075 Hartree
214	BU	0	2.89196 Hartree
215	AG	0	2.92335 Hartree
216	BU	0	2.93605 Hartree
217	BU	0	3.10447 Hartree
218	AG	0	3.13586 Hartree
219	BU	0	3.33108 Hartree
220	AG	0	3.34964 Hartree
221	AG	0	4.04248 Hartree
222	BU	0	4.04842 Hartree
223	AG	0	4.08248 Hartree
224	BU	0	4.08828 Hartree
225	AG	0	4.10816 Hartree
226	BU	0	4.11174 Hartree
227	AG	0	4.17720 Hartree
228	BU	0	4.23132 Hartree
229	AG	0	4.32157 Hartree
230	BU	0	4.32403 Hartree
231	AG	0	4.36781 Hartree
232	BU	0	4.44662 Hartree
233	AG	0	4.65749 Hartree
234	BU	0	4.69588 Hartree
235	BU	1	-10.20888 Hartree
236	AG	1	-10.20888 Hartree
237	BU	1	-10.19956 Hartree
238	AG	1	-10.19956 Hartree
239	BU	1	-10.19755 Hartree
240	AG	1	-10.19755 Hartree
241	BU	1	-10.19543 Hartree
242	AG	1	-10.19543 Hartree
243	BU	1	-10.19373 Hartree
244	AG	1	-10.19373 Hartree
245	AG	1	-10.19350 Hartree
246	BU	1	-10.19350 Hartree
247	AG	1	-10.19027 Hartree
248	BU	1	-10.18925 Hartree
249	AG	1	-0.84537 Hartree
250	BU	1	-0.83755 Hartree
251	AG	1	-0.78927 Hartree
252	BU	1	-0.74168 Hartree
253	BU	1	-0.73583 Hartree
254	AG	1	-0.73527 Hartree
255	AG	1	-0.70330 Hartree
256	BU	1	-0.61603 Hartree
257	BU	1	-0.60320 Hartree
258	AG	1	-0.60070 Hartree
259	AG	1	-0.58014 Hartree
260	BU	1	-0.54024 Hartree
261	BU	1	-0.51760 Hartree
262	AG	1	-0.50511 Hartree
263	BU	1	-0.46573 Hartree
264	AG	1	-0.45965 Hartree
265	AG	1	-0.44834 Hartree
266	BU	1	-0.43287 Hartree
267	BU	1	-0.42608 Hartree
268	AG	1	-0.41952 Hartree
269	BU	1	-0.41243 Hartree
270	AG	1	-0.40739 Hartree
271	AG	1	-0.37501 Hartree
272	AU	1	-0.35786 Hartree
273	BG	1	-0.34896 Hartree
274	BU	1	-0.34849 Hartree
275	BU	1	-0.34584 Hartree
276	AG	1	-0.33705 Hartree
277	AG	1	-0.32609 Hartree
278	AU	1	-0.28348 Hartree
279	BG	1	-0.24331 Hartree
280	AU	1	-0.24248 Hartree
281	BG	1	-0.23884 Hartree
282	AU	0	-0.15250 Hartree
283	BG	0	-0.02534 Hartree
284	BG	0	-0.00135 Hartree
285	AU	0	-0.00033 Hartree
286	AU	0	0.02256 Hartree
287	BG	0	0.08673 Hartree
288	BU	0	0.08972 Hartree
289	AG	0	0.09763 Hartree
290	BU	0	0.10018 Hartree
291	AG	0	0.13484 Hartree
292	AG	0	0.14457 Hartree
293	BU	0	0.15343 Hartree
294	AU	0	0.16086 Hartree
295	BU	0	0.16165 Hartree
296	AG	0	0.16310 Hartree
297	AG	0	0.17802 Hartree
298	BU	0	0.17881 Hartree
299	BG	0	0.18163 Hartree
300	BU	0	0.21433 Hartree
301	AG	0	0.23298 Hartree
302	BU	0	0.25565 Hartree
303	AG	0	0.26878 Hartree
304	BU	0	0.27643 Hartree
305	AG	0	0.28788 Hartree
306	BU	0	0.29175 Hartree
307	AG	0	0.31902 Hartree
308	BU	0	0.32990 Hartree
309	BU	0	0.33607 Hartree
310	AG	0	0.35526 Hartree
311	AG	0	0.38442 Hartree
312	AG	0	0.45329 Hartree
313	BU	0	0.45843 Hartree
314	BU	0	0.49920 Hartree
315	AU	0	0.51777 Hartree
316	BU	0	0.52478 Hartree
317	AG	0	0.52735 Hartree
318	BG	0	0.53157 Hartree
319	AG	0	0.55129 Hartree
320	BU	0	0.55265 Hartree
321	AG	0	0.55728 Hartree
322	AU	0	0.55855 Hartree
323	BU	0	0.56155 Hartree
324	AG	0	0.58636 Hartree
325	AG	0	0.58929 Hartree
326	BU	0	0.59009 Hartree
327	BG	0	0.59196 Hartree
328	AG	0	0.59348 Hartree
329	BU	0	0.60013 Hartree
330	AU	0	0.60378 Hartree
331	AG	0	0.61211 Hartree
332	BG	0	0.61265 Hartree
333	BU	0	0.61316 Hartree
334	AG	0	0.62476 Hartree
335	BU	0	0.62799 Hartree
336	BG	0	0.63354 Hartree
337	AU	0	0.65157 Hartree
338	AU	0	0.66876 Hartree
339	BU	0	0.67998 Hartree
340	BG	0	0.68142 Hartree
341	AU	0	0.73037 Hartree
342	BG	0	0.75134 Hartree
343	BG	0	0.77317 Hartree
344	AU	0	0.78421 Hartree
345	AG	0	0.80780 Hartree
346	BU	0	0.81360 Hartree
347	BU	0	0.82921 Hartree
348	AG	0	0.83672 Hartree
349	BU	0	0.83917 Hartree
350	AG	0	0.84258 Hartree
351	BU	0	0.85602 Hartree
352	AG	0	0.86124 Hartree
353	AG	0	0.88652 Hartree
354	BU	0	0.90532 Hartree
355	AG	0	0.91136 Hartree
356	BU	0	0.92299 Hartree
357	AG	0	0.92350 Hartree
358	BU	0	0.93553 Hartree
359	BU	0	0.95253 Hartree
360	AG	0	0.95257 Hartree
361	AG	0	0.96480 Hartree
362	BU	0	0.99510 Hartree
363	AG	0	1.02324 Hartree
364	AG	0	1.04733 Hartree
365	BU	0	1.04950 Hartree
366	BU	0	1.07514 Hartree
367	AG	0	1.08597 Hartree
368	BU	0	1.11689 Hartree
369	AG	0	1.12840 Hartree
370	BU	0	1.14212 Hartree
371	AG	0	1.17442 Hartree
372	BU	0	1.17519 Hartree
373	BU	0	1.19440 Hartree
374	AG	0	1.22710 Hartree
375	AU	0	1.25900 Hartree
376	BG	0	1.26254 Hartree
377	AG	0	1.30057 Hartree
378	AU	0	1.33742 Hartree
379	BU	0	1.33830 Hartree
380	BG	0	1.34153 Hartree
381	BU	0	1.41474 Hartree
382	AG	0	1.43513 Hartree
383	AU	0	1.43808 Hartree
384	BG	0	1.44199 Hartree
385	AG	0	1.44711 Hartree
386	BU	0	1.45097 Hartree
387	AU	0	1.47156 Hartree
388	BG	0	1.47649 Hartree
389	AU	0	1.49289 Hartree
390	BG	0	1.49430 Hartree
391	AU	0	1.51026 Hartree
392	BG	0	1.51111 Hartree
393	AG	0	1.53698 Hartree
394	AU	0	1.57164 Hartree
395	BU	0	1.60707 Hartree
396	AG	0	1.72532 Hartree
397	BU	0	1.72707 Hartree
398	AG	0	1.76885 Hartree
399	BU	0	1.78702 Hartree
400	AG	0	1.79960 Hartree
401	BU	0	1.80344 Hartree
402	BG	0	1.85181 Hartree
403	AG	0	1.86912 Hartree
404	BU	0	1.87086 Hartree
405	BU	0	1.90948 Hartree
406	AG	0	1.91286 Hartree
407	BU	0	1.96293 Hartree
408	AG	0	1.96436 Hartree
409	AU	0	1.97322 Hartree
410	AG	0	1.98092 Hartree
411	BU	0	2.00388 Hartree
412	AG	0	2.01966 Hartree
413	BU	0	2.02196 Hartree
414	AG	0	2.10394 Hartree
415	BU	0	2.10640 Hartree
416	AG	0	2.11146 Hartree
417	BU	0	2.11974 Hartree
418	BG	0	2.12545 Hartree
419	AU	0	2.12976 Hartree
420	BG	0	2.15269 Hartree
421	AU	0	2.20833 Hartree
422	BU	0	2.23402 Hartree
423	AG	0	2.24549 Hartree
424	BG	0	2.25198 Hartree
425	AU	0	2.28079 Hartree
426	BG	0	2.28080 Hartree
427	AU	0	2.28557 Hartree
428	BG	0	2.30126 Hartree
429	AG	0	2.32568 Hartree
430	AU	0	2.38885 Hartree
431	BU	0	2.43829 Hartree
432	BG	0	2.49002 Hartree
433	AG	0	2.49251 Hartree
434	BU	0	2.55864 Hartree
435	AG	0	2.57449 Hartree
436	BU	0	2.57452 Hartree
437	AG	0	2.60177 Hartree
438	AU	0	2.60475 Hartree
439	BG	0	2.62182 Hartree
440	BU	0	2.67319 Hartree
441	BU	0	2.68770 Hartree
442	AG	0	2.68851 Hartree
443	AG	0	2.71657 Hartree
444	BU	0	2.72258 Hartree
445	AG	0	2.72603 Hartree
446	BU	0	2.73814 Hartree
447	AG	0	2.78475 Hartree
448	BU	0	2.89536 Hartree
449	AG	0	2.92689 Hartree
450	BU	0	2.95141 Hartree
451	BU	0	3.10788 Hartree
452	AG	0	3.13968 Hartree
453	BU	0	3.33331 Hartree
454	AG	0	3.35199 Hartree
455	AG	0	4.04834 Hartree
456	BU	0	4.05297 Hartree
457	AG	0	4.08991 Hartree
458	BU	0	4.09410 Hartree
459	AG	0	4.11045 Hartree
460	BU	0	4.11419 Hartree
461	AG	0	4.19008 Hartree
462	BU	0	4.24278 Hartree
463	AG	0	4.32415 Hartree
464	BU	0	4.32665 Hartree
465	AG	0	4.37405 Hartree
466	BU	0	4.45526 Hartree
467	AG	0	4.66189 Hartree
468	BU	0	4.70190 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom	Symbol	Charge
1	C	-0.32512
2	C	-0.32512
3	C	-0.06378
4	C	-0.18614
5	C	-0.08962
6	C	-0.25925
7	C	-0.06210
8	C	-0.22768
9	H	0.11766
10	H	0.11795
11	H	0.12208
12	H	0.11848
13	H	0.12091
14	H	0.11660
15	C	-0.06378
16	C	-0.18614
17	C	-0.08962
18	C	-0.25925
19	C	-0.06210
20	C	-0.22768
21	H	0.11766
22	H	0.11795
23	H	0.12208
24	H	0.11848
25	H	0.12091
26	H	0.11660

Natural Population Analysis

Atom	Symbol	Charge
1	C	0.13400
2	C	0.13400
3	C	-0.00830
4	C	-0.02064
5	C	-0.15067
6	C	0.02954
7	C	-0.16803
8	C	0.00143
9	H	0.11059
10	H	0.12087
11	H	0.11293
12	H	0.12008
13	H	0.11535
14	H	0.10284
15	C	-0.00830
16	C	-0.02064
17	C	-0.15067
18	C	0.02954
19	C	-0.16803
20	C	0.00143
21	H	0.11059
22	H	0.12087
23	H	0.11293
24	H	0.12008
25	H	0.11535
26	H	0.10284

Natural Atomic Orbitals

Display Range		- / 234
Orbital	Description	Occupancy	Energy	Actions
1	C1 Cor(1S)	0.999464823	-10.046631954 Hartree
2	C1 Val(2S)	0.488192307	-0.183075693 Hartree
3	C1 Ryd(3S)	0.000620075	1.116097251 Hartree
4	C1 Ryd(4S)	0.000020862	4.101506364 Hartree
5	C1 Val(2p)	0.588868584	-0.055425356 Hartree
6	C1 Ryd(3p)	0.002413438	1.034275173 Hartree
7	C1 Val(2p)	0.527875252	-0.039344490 Hartree
8	C1 Ryd(3p)	0.001727594	0.961439133 Hartree
9	C1 Val(2p)	0.710916864	-0.148801752 Hartree
10	C1 Ryd(3p)	0.003371282	0.610358365 Hartree
11	C1 Ryd(3d)	0.000468335	2.438917495 Hartree
12	C1 Ryd(3d)	0.000403427	1.859904783 Hartree
13	C1 Ryd(3d)	0.000367613	1.851036619 Hartree
14	C1 Ryd(3d)	0.000296297	2.406045310 Hartree
15	C1 Ryd(3d)	0.000111792	2.284576459 Hartree
16	C2 Cor(1S)	0.999464823	-10.046631954 Hartree
17	C2 Val(2S)	0.488192307	-0.183075693 Hartree
18	C2 Ryd(3S)	0.000620075	1.116097251 Hartree
19	C2 Ryd(4S)	0.000020862	4.101506364 Hartree
20	C2 Val(2p)	0.588868584	-0.055425356 Hartree
21	C2 Ryd(3p)	0.002413438	1.034275173 Hartree
22	C2 Val(2p)	0.527875252	-0.039344490 Hartree
23	C2 Ryd(3p)	0.001727594	0.961439133 Hartree
24	C2 Val(2p)	0.710916864	-0.148801752 Hartree
25	C2 Ryd(3p)	0.003371282	0.610358365 Hartree
26	C2 Ryd(3d)	0.000468335	2.438917495 Hartree
27	C2 Ryd(3d)	0.000403427	1.859904783 Hartree
28	C2 Ryd(3d)	0.000367613	1.851036619 Hartree
29	C2 Ryd(3d)	0.000296297	2.406045310 Hartree
30	C2 Ryd(3d)	0.000111792	2.284576459 Hartree
31	C3 Cor(1S)	0.999525918	-10.067042256 Hartree
32	C3 Val(2S)	0.452569852	-0.161486627 Hartree
33	C3 Ryd(3S)	0.000285796	1.060853186 Hartree
34	C3 Ryd(4S)	0.000019586	4.207354551 Hartree
35	C3 Val(2p)	0.541719326	-0.050962183 Hartree
36	C3 Ryd(3p)	0.003366642	1.098203671 Hartree
37	C3 Val(2p)	0.525442650	-0.046012159 Hartree
38	C3 Ryd(3p)	0.002595010	1.179918852 Hartree
39	C3 Val(2p)	0.535738954	-0.105923293 Hartree
40	C3 Ryd(3p)	0.000757138	0.690550879 Hartree
41	C3 Ryd(3d)	0.000379396	2.475003944 Hartree
42	C3 Ryd(3d)	0.000305053	1.916056309 Hartree
43	C3 Ryd(3d)	0.000600520	1.869757923 Hartree
44	C3 Ryd(3d)	0.000323172	2.414636924 Hartree
45	C3 Ryd(3d)	0.000150908	2.308634006 Hartree
46	C4 Cor(1S)	0.999539294	-10.054078210 Hartree
47	C4 Val(2S)	0.487157388	-0.184783068 Hartree
48	C4 Ryd(3S)	0.000225238	1.205330295 Hartree
49	C4 Ryd(4S)	0.000018727	4.028843337 Hartree
50	C4 Val(2p)	0.576817533	-0.050304956 Hartree
51	C4 Ryd(3p)	0.002296537	1.004488680 Hartree
52	C4 Val(2p)	0.545899643	-0.044153648 Hartree
53	C4 Ryd(3p)	0.001750922	0.853105109 Hartree
54	C4 Val(2p)	0.570413829	-0.118950479 Hartree
55	C4 Ryd(3p)	0.000595279	0.622875950 Hartree
56	C4 Ryd(3d)	0.000444297	2.351099862 Hartree
57	C4 Ryd(3d)	0.000173192	1.830162363 Hartree
58	C4 Ryd(3d)	0.000303367	1.885195988 Hartree
59	C4 Ryd(3d)	0.000327875	2.399296140 Hartree
60	C4 Ryd(3d)	0.000176605	2.280202039 Hartree
61	C5 Cor(1S)	0.999584462	-10.057308185 Hartree
62	C5 Val(2S)	0.487846963	-0.185272310 Hartree
63	C5 Ryd(3S)	0.000241321	1.189514316 Hartree
64	C5 Ryd(4S)	0.000014246	4.030248343 Hartree
65	C5 Val(2p)	0.576669892	-0.049739729 Hartree
66	C5 Ryd(3p)	0.002467021	1.009871519 Hartree
67	C5 Val(2p)	0.541463411	-0.040039178 Hartree
68	C5 Ryd(3p)	0.002256199	0.795628300 Hartree
69	C5 Val(2p)	0.476917616	-0.098323331 Hartree
70	C5 Ryd(3p)	0.000582882	0.626210676 Hartree
71	C5 Ryd(3d)	0.000423935	2.343750285 Hartree
72	C5 Ryd(3d)	0.000214794	1.825462439 Hartree
73	C5 Ryd(3d)	0.000379118	1.894557393 Hartree
74	C5 Ryd(3d)	0.000327152	2.360289721 Hartree
75	C5 Ryd(3d)	0.000226704	2.260797010 Hartree
76	C6 Cor(1S)	0.999575408	-10.057814832 Hartree
77	C6 Val(2S)	0.496055283	-0.199971802 Hartree
78	C6 Ryd(3S)	0.000235263	1.142786462 Hartree
79	C6 Ryd(4S)	0.000015764	4.053977907 Hartree
80	C6 Val(2p)	0.528188217	-0.040685356 Hartree
81	C6 Ryd(3p)	0.002013080	0.693093273 Hartree
82	C6 Val(2p)	0.597420293	-0.056439325 Hartree
83	C6 Ryd(3p)	0.002339535	1.112409733 Hartree
84	C6 Val(2p)	0.630733343	-0.130253160 Hartree
85	C6 Ryd(3p)	0.001387059	0.617278342 Hartree
86	C6 Ryd(3d)	0.000313006	2.363194235 Hartree
87	C6 Ryd(3d)	0.000227538	1.915771703 Hartree
88	C6 Ryd(3d)	0.000132210	1.778890291 Hartree
89	C6 Ryd(3d)	0.000460677	2.333601215 Hartree
90	C6 Ryd(3d)	0.000153772	2.240891488 Hartree
91	C7 Cor(1S)	0.999583648	-10.058381924 Hartree
92	C7 Val(2S)	0.486377092	-0.183158482 Hartree
93	C7 Ryd(3S)	0.000266162	1.207826707 Hartree
94	C7 Ryd(4S)	0.000012811	4.018794817 Hartree
95	C7 Val(2p)	0.576634310	-0.050042793 Hartree
96	C7 Ryd(3p)	0.002530913	1.008643992 Hartree
97	C7 Val(2p)	0.540064754	-0.038865035 Hartree
98	C7 Ryd(3p)	0.002260356	0.793973801 Hartree
99	C7 Val(2p)	0.452536617	-0.094452235 Hartree
100	C7 Ryd(3p)	0.000224487	0.626980310 Hartree
101	C7 Ryd(3d)	0.000421976	2.345697205 Hartree
102	C7 Ryd(3d)	0.000221719	1.826127133 Hartree
103	C7 Ryd(3d)	0.000399204	1.895890618 Hartree
104	C7 Ryd(3d)	0.000328842	2.361436606 Hartree
105	C7 Ryd(3d)	0.000237160	2.265828771 Hartree
106	C8 Cor(1S)	0.999536608	-10.052834660 Hartree
107	C8 Val(2S)	0.485704826	-0.184341522 Hartree
108	C8 Ryd(3S)	0.000240858	1.129494158 Hartree
109	C8 Ryd(4S)	0.000021418	4.108273008 Hartree
110	C8 Val(2p)	0.577501588	-0.049384653 Hartree
111	C8 Ryd(3p)	0.002153433	1.035790057 Hartree
112	C8 Val(2p)	0.547822812	-0.048517169 Hartree
113	C8 Ryd(3p)	0.001670913	0.922353995 Hartree
114	C8 Val(2p)	0.610295608	-0.126684793 Hartree
115	C8 Ryd(3p)	0.001403969	0.626516801 Hartree
116	C8 Ryd(3d)	0.000444811	2.366490600 Hartree
117	C8 Ryd(3d)	0.000171299	1.828902617 Hartree
118	C8 Ryd(3d)	0.000226018	1.882208076 Hartree
119	C8 Ryd(3d)	0.000315637	2.422998592 Hartree
120	C8 Ryd(3d)	0.000167648	2.281896747 Hartree
121	H9 Val(1S)	0.381904534	0.090041793 Hartree
122	H9 Ryd(2S)	0.000431899	0.668814102 Hartree
123	H10 Val(1S)	0.381659382	0.093236871 Hartree
124	H10 Ryd(2S)	0.000389647	0.563585589 Hartree
125	H11 Val(1S)	0.377545827	0.093435027 Hartree
126	H11 Ryd(2S)	0.000377564	0.567505946 Hartree
127	H12 Val(1S)	0.381135611	0.094095197 Hartree
128	H12 Ryd(2S)	0.000386633	0.565265298 Hartree
129	H13 Val(1S)	0.378637819	0.090799377 Hartree
130	H13 Ryd(2S)	0.000447505	0.575911808 Hartree
131	H14 Val(1S)	0.382880506	0.084650198 Hartree
132	H14 Ryd(2S)	0.000521218	0.704619399 Hartree
133	C15 Cor(1S)	0.999525918	-10.067042256 Hartree
134	C15 Val(2S)	0.452569852	-0.161486627 Hartree
135	C15 Ryd(3S)	0.000285796	1.060853186 Hartree
136	C15 Ryd(4S)	0.000019586	4.207354551 Hartree
137	C15 Val(2p)	0.541719326	-0.050962183 Hartree
138	C15 Ryd(3p)	0.003366642	1.098203671 Hartree
139	C15 Val(2p)	0.525442650	-0.046012159 Hartree
140	C15 Ryd(3p)	0.002595010	1.179918852 Hartree
141	C15 Val(2p)	0.535738954	-0.105923293 Hartree
142	C15 Ryd(3p)	0.000757138	0.690550879 Hartree
143	C15 Ryd(3d)	0.000379396	2.475003944 Hartree
144	C15 Ryd(3d)	0.000305053	1.916056309 Hartree
145	C15 Ryd(3d)	0.000600520	1.869757923 Hartree
146	C15 Ryd(3d)	0.000323172	2.414636924 Hartree
147	C15 Ryd(3d)	0.000150908	2.308634006 Hartree
148	C16 Cor(1S)	0.999539294	-10.054078210 Hartree
149	C16 Val(2S)	0.487157388	-0.184783068 Hartree
150	C16 Ryd(3S)	0.000225238	1.205330295 Hartree
151	C16 Ryd(4S)	0.000018727	4.028843338 Hartree
152	C16 Val(2p)	0.576817533	-0.050304956 Hartree
153	C16 Ryd(3p)	0.002296537	1.004488680 Hartree
154	C16 Val(2p)	0.545899643	-0.044153648 Hartree
155	C16 Ryd(3p)	0.001750922	0.853105109 Hartree
156	C16 Val(2p)	0.570413829	-0.118950479 Hartree
157	C16 Ryd(3p)	0.000595279	0.622875950 Hartree
158	C16 Ryd(3d)	0.000444297	2.351099862 Hartree
159	C16 Ryd(3d)	0.000173192	1.830162363 Hartree
160	C16 Ryd(3d)	0.000303367	1.885195988 Hartree
161	C16 Ryd(3d)	0.000327875	2.399296140 Hartree
162	C16 Ryd(3d)	0.000176605	2.280202039 Hartree
163	C17 Cor(1S)	0.999584462	-10.057308185 Hartree
164	C17 Val(2S)	0.487846963	-0.185272310 Hartree
165	C17 Ryd(3S)	0.000241321	1.189514316 Hartree
166	C17 Ryd(4S)	0.000014246	4.030248343 Hartree
167	C17 Val(2p)	0.576669892	-0.049739729 Hartree
168	C17 Ryd(3p)	0.002467021	1.009871519 Hartree
169	C17 Val(2p)	0.541463411	-0.040039178 Hartree
170	C17 Ryd(3p)	0.002256199	0.795628300 Hartree
171	C17 Val(2p)	0.476917616	-0.098323331 Hartree
172	C17 Ryd(3p)	0.000582882	0.626210676 Hartree
173	C17 Ryd(3d)	0.000423935	2.343750285 Hartree
174	C17 Ryd(3d)	0.000214794	1.825462439 Hartree
175	C17 Ryd(3d)	0.000379118	1.894557393 Hartree
176	C17 Ryd(3d)	0.000327152	2.360289721 Hartree
177	C17 Ryd(3d)	0.000226704	2.260797010 Hartree
178	C18 Cor(1S)	0.999575408	-10.057814832 Hartree
179	C18 Val(2S)	0.496055283	-0.199971802 Hartree
180	C18 Ryd(3S)	0.000235263	1.142786462 Hartree
181	C18 Ryd(4S)	0.000015764	4.053977907 Hartree
182	C18 Val(2p)	0.528188217	-0.040685356 Hartree
183	C18 Ryd(3p)	0.002013080	0.693093273 Hartree
184	C18 Val(2p)	0.597420293	-0.056439325 Hartree
185	C18 Ryd(3p)	0.002339535	1.112409733 Hartree
186	C18 Val(2p)	0.630733343	-0.130253160 Hartree
187	C18 Ryd(3p)	0.001387059	0.617278342 Hartree
188	C18 Ryd(3d)	0.000313006	2.363194235 Hartree
189	C18 Ryd(3d)	0.000227538	1.915771703 Hartree
190	C18 Ryd(3d)	0.000132210	1.778890291 Hartree
191	C18 Ryd(3d)	0.000460677	2.333601215 Hartree
192	C18 Ryd(3d)	0.000153772	2.240891488 Hartree
193	C19 Cor(1S)	0.999583648	-10.058381924 Hartree
194	C19 Val(2S)	0.486377092	-0.183158482 Hartree
195	C19 Ryd(3S)	0.000266162	1.207826707 Hartree
196	C19 Ryd(4S)	0.000012811	4.018794817 Hartree
197	C19 Val(2p)	0.576634310	-0.050042793 Hartree
198	C19 Ryd(3p)	0.002530913	1.008643992 Hartree
199	C19 Val(2p)	0.540064754	-0.038865035 Hartree
200	C19 Ryd(3p)	0.002260356	0.793973801 Hartree
201	C19 Val(2p)	0.452536617	-0.094452235 Hartree
202	C19 Ryd(3p)	0.000224487	0.626980310 Hartree
203	C19 Ryd(3d)	0.000421976	2.345697205 Hartree
204	C19 Ryd(3d)	0.000221719	1.826127133 Hartree
205	C19 Ryd(3d)	0.000399204	1.895890618 Hartree
206	C19 Ryd(3d)	0.000328842	2.361436606 Hartree
207	C19 Ryd(3d)	0.000237160	2.265828771 Hartree
208	C20 Cor(1S)	0.999536608	-10.052834660 Hartree
209	C20 Val(2S)	0.485704826	-0.184341522 Hartree
210	C20 Ryd(3S)	0.000240858	1.129494158 Hartree
211	C20 Ryd(4S)	0.000021418	4.108273008 Hartree
212	C20 Val(2p)	0.577501588	-0.049384653 Hartree
213	C20 Ryd(3p)	0.002153433	1.035790057 Hartree
214	C20 Val(2p)	0.547822812	-0.048517169 Hartree
215	C20 Ryd(3p)	0.001670913	0.922353995 Hartree
216	C20 Val(2p)	0.610295608	-0.126684793 Hartree
217	C20 Ryd(3p)	0.001403969	0.626516801 Hartree
218	C20 Ryd(3d)	0.000444811	2.366490600 Hartree
219	C20 Ryd(3d)	0.000171299	1.828902617 Hartree
220	C20 Ryd(3d)	0.000226018	1.882208076 Hartree
221	C20 Ryd(3d)	0.000315637	2.422998592 Hartree
222	C20 Ryd(3d)	0.000167648	2.281896747 Hartree
223	H21 Val(1S)	0.381904534	0.090041793 Hartree
224	H21 Ryd(2S)	0.000431899	0.668814102 Hartree
225	H22 Val(1S)	0.381659382	0.093236871 Hartree
226	H22 Ryd(2S)	0.000389647	0.563585589 Hartree
227	H23 Val(1S)	0.377545827	0.093435027 Hartree
228	H23 Ryd(2S)	0.000377564	0.567505946 Hartree
229	H24 Val(1S)	0.381135611	0.094095197 Hartree
230	H24 Ryd(2S)	0.000386633	0.565265298 Hartree
231	H25 Val(1S)	0.378637819	0.090799377 Hartree
232	H25 Ryd(2S)	0.000447505	0.575911808 Hartree
233	H26 Val(1S)	0.382880506	0.084650198 Hartree
234	H26 Ryd(2S)	0.000521218	0.704619399 Hartree

Natural Hybrid Orbitals

Display Range		- / 468
Orbital	Description	Occupancy	Energy	Actions
1	BD(1)C1(C2) 1s(38.12%)p1.62(61.83%)d0.00(0.04%)	0.498217849	-0.029390075 Hartree
2	BD(1)C2(C1) 2s(38.12%)p1.62(61.83%)d0.00(0.04%)	0.498217849	-0.029390075 Hartree
3	BD(1)C1(C15) 1s(31.29%)p2.19(68.68%)d0.00(0.02%)	0.493636028	-0.085990379 Hartree
4	BD(1)C15(C1) 15s(30.43%)p2.29(69.55%)d0.00(0.03%)	0.506116494	-0.099350477 Hartree
5	BD(1)C1(H26) 1s(30.63%)p2.26(69.32%)d0.00(0.05%)	0.614786956	-0.145812911 Hartree
6	BD(1)H26(C1) 26s(100.00%)	0.382879646	0.086635999 Hartree
7	BD(1)C2(C3) 2s(31.29%)p2.19(68.68%)d0.00(0.02%)	0.493636028	-0.085990379 Hartree
8	BD(1)C3(C2) 3s(30.43%)p2.29(69.55%)d0.00(0.03%)	0.506116494	-0.099350477 Hartree
9	BD(1)C2(H14) 2s(30.63%)p2.26(69.32%)d0.00(0.05%)	0.614786956	-0.145812911 Hartree
10	BD(1)H14(C2) 14s(100.00%)	0.382879646	0.086635999 Hartree
11	BD(1)C3(C4) 3s(34.87%)p1.87(65.09%)d0.00(0.04%)	0.508350677	-0.077054496 Hartree
12	BD(1)C4(C3) 4s(34.79%)p1.87(65.16%)d0.00(0.04%)	0.490546170	-0.055282170 Hartree
13	BD(2)C3(C4) 3s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.535543908	-0.104686511 Hartree
14	BD(2)C4(C3) 4s(0.00%)p1.00(99.97%)d0.00(0.03%)	0.570535644	-0.118683185 Hartree
15	BD(1)C3(C8) 3s(34.67%)p1.88(65.29%)d0.00(0.04%)	0.506118716	-0.075483181 Hartree
16	BD(1)C8(C3) 8s(34.39%)p1.91(65.57%)d0.00(0.04%)	0.492923899	-0.058391303 Hartree
17	BD(1)C4(C5) 4s(34.91%)p1.86(65.06%)d0.00(0.03%)	0.502556478	-0.065867782 Hartree
18	BD(1)C5(C4) 5s(34.87%)p1.87(65.09%)d0.00(0.04%)	0.494872963	-0.057634057 Hartree
19	BD(1)C4(H13) 4s(30.26%)p2.30(69.69%)d0.00(0.05%)	0.618442702	-0.142774892 Hartree
20	BD(1)H13(C4) 13s(100.00%)	0.378637064	0.092112245 Hartree
21	BD(1)C5(C6) 5s(34.68%)p1.88(65.28%)d0.00(0.04%)	0.496672384	-0.062714216 Hartree
22	BD(1)C6(C5) 6s(34.87%)p1.87(65.09%)d0.00(0.04%)	0.501845755	-0.068585422 Hartree
23	BD(2)C5(C6) 5s(0.00%)p1.00(99.94%)d0.00(0.06%)	0.476848223	-0.096964502 Hartree
24	BD(2)C6(C5) 6s(0.00%)p1.00(99.98%)d0.00(0.02%)	0.631210170	-0.131472826 Hartree
25	BD(1)C5(H12) 5s(30.41%)p2.29(69.53%)d0.00(0.06%)	0.616467458	-0.137191199 Hartree
26	BD(1)H12(C5) 12s(100.00%)	0.381135060	0.094617900 Hartree
27	BD(1)C6(C7) 6s(34.90%)p1.86(65.06%)d0.00(0.04%)	0.501922957	-0.068414568 Hartree
28	BD(1)C7(C6) 7s(34.72%)p1.88(65.24%)d0.00(0.04%)	0.496537637	-0.062199552 Hartree
29	BD(1)C6(H11) 6s(30.20%)p2.31(69.75%)d0.00(0.05%)	0.619854752	-0.143369377 Hartree
30	BD(1)H11(C6) 11s(100.00%)	0.377545847	0.094930621 Hartree
31	BD(1)C7(C8) 7s(34.80%)p1.87(65.16%)d0.00(0.04%)	0.492557931	-0.054892560 Hartree
32	BD(1)C8(C7) 8s(35.22%)p1.84(64.75%)d0.00(0.03%)	0.504784026	-0.067054810 Hartree
33	BD(2)C7(C8) 7s(0.00%)p1.00(99.94%)d0.00(0.06%)	0.452591583	-0.094372664 Hartree
34	BD(2)C8(C7) 8s(0.00%)p1.00(99.97%)d0.00(0.03%)	0.610607998	-0.127375493 Hartree
35	BD(1)C7(H10) 7s(30.44%)p2.28(69.51%)d0.00(0.06%)	0.616002197	-0.137363634 Hartree
36	BD(1)H10(C7) 10s(100.00%)	0.381658902	0.093642076 Hartree
37	BD(1)C8(H9) 8s(30.35%)p2.29(69.60%)d0.00(0.05%)	0.614945084	-0.142204272 Hartree
38	BD(1)H9(C8) 9s(100.00%)	0.381903998	0.091291165 Hartree
39	BD(1)C15(C16) 15s(34.87%)p1.87(65.09%)d0.00(0.04%)	0.508350677	-0.077054496 Hartree
40	BD(1)C16(C15) 16s(34.79%)p1.87(65.16%)d0.00(0.04%)	0.490546170	-0.055282170 Hartree
41	BD(1)C15(C20) 15s(34.67%)p1.88(65.29%)d0.00(0.04%)	0.506118716	-0.075483181 Hartree
42	BD(1)C20(C15) 20s(34.39%)p1.91(65.57%)d0.00(0.04%)	0.492923899	-0.058391303 Hartree
43	BD(2)C15(C20) 15s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.535412654	-0.104182660 Hartree
44	BD(2)C20(C15) 20s(0.00%)p1.00(99.97%)d0.00(0.03%)	0.610396623	-0.126183087 Hartree
45	BD(1)C16(C17) 16s(34.91%)p1.86(65.06%)d0.00(0.03%)	0.502556478	-0.065867782 Hartree
46	BD(1)C17(C16) 17s(34.87%)p1.87(65.09%)d0.00(0.04%)	0.494872963	-0.057634057 Hartree
47	BD(2)C16(C17) 16s(0.00%)p1.00(99.97%)d0.00(0.03%)	0.570668590	-0.119544303 Hartree
48	BD(2)C17(C16) 17s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.477089198	-0.099052146 Hartree
49	BD(1)C16(H25) 16s(30.26%)p2.30(69.69%)d0.00(0.05%)	0.618442702	-0.142774892 Hartree
50	BD(1)H25(C16) 25s(100.00%)	0.378637064	0.092112245 Hartree
51	BD(1)C17(C18) 17s(34.68%)p1.88(65.28%)d0.00(0.04%)	0.496672384	-0.062714216 Hartree
52	BD(1)C18(C17) 18s(34.87%)p1.87(65.09%)d0.00(0.04%)	0.501845755	-0.068585422 Hartree
53	BD(1)C17(H24) 17s(30.41%)p2.29(69.53%)d0.00(0.06%)	0.616467458	-0.137191199 Hartree
54	BD(1)H24(C17) 24s(100.00%)	0.381135060	0.094617900 Hartree
55	BD(1)C18(C19) 18s(34.90%)p1.86(65.06%)d0.00(0.04%)	0.501922957	-0.068414568 Hartree
56	BD(1)C19(C18) 19s(34.72%)p1.88(65.24%)d0.00(0.04%)	0.496537637	-0.062199552 Hartree
57	BD(2)C18(C19) 18s(0.00%)p1.00(99.98%)d0.00(0.02%)	0.631248299	-0.131724711 Hartree
58	BD(2)C19(C18) 19s(0.00%)p1.00(99.93%)d0.00(0.07%)	0.452505706	-0.093438030 Hartree
59	BD(1)C18(H23) 18s(30.20%)p2.31(69.75%)d0.00(0.05%)	0.619854752	-0.143369377 Hartree
60	BD(1)H23(C18) 23s(100.00%)	0.377545847	0.094930621 Hartree
61	BD(1)C19(C20) 19s(34.80%)p1.87(65.16%)d0.00(0.04%)	0.492557931	-0.054892560 Hartree
62	BD(1)C20(C19) 20s(35.22%)p1.84(64.75%)d0.00(0.03%)	0.504784026	-0.067054810 Hartree
63	BD(1)C19(H22) 19s(30.44%)p2.28(69.51%)d0.00(0.06%)	0.616002197	-0.137363634 Hartree
64	BD(1)H22(C19) 22s(100.00%)	0.381658902	0.093642076 Hartree
65	BD(1)C20(H21) 20s(30.35%)p2.29(69.60%)d0.00(0.05%)	0.614945084	-0.142204272 Hartree
66	BD(1)H21(C20) 21s(100.00%)	0.381903998	0.091291165 Hartree
67	CR(1)C1 s(100.00%)p0.00(0.00%)	0.999467049	-10.046929306 Hartree
68	CR(1)C2 s(100.00%)p0.00(0.00%)	0.999467049	-10.046929306 Hartree
69	CR(1)C3 s(100.00%)	0.999525359	-10.067283265 Hartree
70	CR(1)C4 s(100.00%)p0.00(0.00%)	0.999540854	-10.054481572 Hartree
71	CR(1)C5 s(100.00%)p0.00(0.00%)	0.999585771	-10.057616152 Hartree
72	CR(1)C6 s(100.00%)p0.00(0.00%)	0.999576425	-10.058181562 Hartree
73	CR(1)C7 s(100.00%)p0.00(0.00%)	0.999585029	-10.058681089 Hartree
74	CR(1)C8 s(100.00%)p0.00(0.00%)	0.999537630	-10.053225284 Hartree
75	CR(1)C15 s(100.00%)	0.999525359	-10.067283265 Hartree
76	CR(1)C16 s(100.00%)p0.00(0.00%)	0.999540854	-10.054481572 Hartree
77	CR(1)C17 s(100.00%)p0.00(0.00%)	0.999585771	-10.057616152 Hartree
78	CR(1)C18 s(100.00%)p0.00(0.00%)	0.999576425	-10.058181562 Hartree
79	CR(1)C19 s(100.00%)p0.00(0.00%)	0.999585029	-10.058681089 Hartree
80	CR(1)C20 s(100.00%)p0.00(0.00%)	0.999537630	-10.053225284 Hartree
81	LP(1)C1 s(0.00%)p1.00(99.99%)d0.00(0.01%)	0.711518682	-0.150546585 Hartree
82	LP(1)C2 s(0.00%)p1.00(99.99%)d0.00(0.01%)	0.711518682	-0.150546585 Hartree
83	RY*(1)C1 s(0.00%)p1.00(86.38%)d0.16(13.62%)	0.003274314	0.780549251 Hartree
84	RY*(2)C1 s(0.30%)p99.99(93.85%)d19.63(5.85%)	0.002200893	1.205846555 Hartree
85	RY*(3)C1 s(5.30%)p17.10(90.69%)d0.75(4.00%)	0.001512230	0.956910322 Hartree
86	RY*(4)C1 s(0.00%)p1.00(10.90%)d8.18(89.10%)	0.000258746	1.767506285 Hartree
87	RY*(5)C1 s(87.95%)p0.06(5.28%)d0.08(6.78%)	0.000150641	1.220673969 Hartree
88	RY*(6)C1 s(43.70%)p0.03(1.35%)d1.26(54.95%)	0.000038810	2.783519713 Hartree
89	RY*(7)C1 s(0.43%)p17.09(7.33%)d99.99(92.25%)	0.000038042	2.246331617 Hartree
90	RY*(8)C1 s(57.09%)p0.03(1.51%)d0.73(41.40%)	0.000005155	3.491644039 Hartree
91	RY*(9)C1 s(0.00%)p1.00(2.73%)d35.63(97.27%)	0.000007443	1.774989064 Hartree
92	RY*(10)C1 s(5.19%)p0.03(0.15%)d18.23(94.66%)	0.000005707	2.421576149 Hartree
93	RY*(1)C2 s(0.00%)p1.00(86.38%)d0.16(13.62%)	0.003274314	0.780549251 Hartree
94	RY*(2)C2 s(0.30%)p99.99(93.85%)d19.63(5.85%)	0.002200893	1.205846555 Hartree
95	RY*(3)C2 s(5.30%)p17.10(90.69%)d0.75(4.00%)	0.001512230	0.956910322 Hartree
96	RY*(4)C2 s(0.00%)p1.00(10.90%)d8.18(89.10%)	0.000258746	1.767506285 Hartree
97	RY*(5)C2 s(87.95%)p0.06(5.28%)d0.08(6.78%)	0.000150641	1.220673969 Hartree
98	RY*(6)C2 s(43.70%)p0.03(1.35%)d1.26(54.95%)	0.000038810	2.783519712 Hartree
99	RY*(7)C2 s(0.43%)p17.09(7.33%)d99.99(92.25%)	0.000038042	2.246331617 Hartree
100	RY*(8)C2 s(57.09%)p0.03(1.51%)d0.73(41.40%)	0.000005155	3.491644039 Hartree
101	RY*(9)C2 s(0.00%)p1.00(2.73%)d35.63(97.27%)	0.000007443	1.774989064 Hartree
102	RY*(10)C2 s(5.19%)p0.03(0.15%)d18.23(94.66%)	0.000005707	2.421576149 Hartree
103	RY*(1)C3 s(0.34%)p99.99(96.85%)d8.17(2.81%)	0.003321809	1.172224211 Hartree
104	RY*(2)C3 s(1.64%)p56.57(92.70%)d3.46(5.66%)	0.002625007	1.277020876 Hartree
105	RY*(3)C3 s(0.00%)p1.00(56.94%)d0.76(43.06%)	0.001199636	1.191725100 Hartree
106	RY*(4)C3 s(0.00%)p1.00(6.75%)d13.82(93.25%)	0.000377962	1.830126370 Hartree
107	RY*(5)C3 s(0.00%)p1.00(36.35%)d1.75(63.65%)	0.000280159	1.453276859 Hartree
108	RY*(6)C3 s(94.96%)p0.03(2.66%)d0.03(2.38%)	0.000196454	1.063764732 Hartree
109	RY*(7)C3 s(4.44%)p0.48(2.12%)d21.05(93.44%)	0.000062874	2.405072314 Hartree
110	RY*(8)C3 s(65.36%)p0.00(0.17%)d0.53(34.46%)	0.000024802	3.611896789 Hartree
111	RY*(9)C3 s(0.21%)p26.55(5.57%)d99.99(94.22%)	0.000032621	2.309662077 Hartree
112	RY*(10)C3 s(33.07%)p0.00(0.01%)d2.02(66.91%)	0.000003444	2.898632328 Hartree
113	RY*(1)C4 s(0.18%)p99.99(92.59%)d40.91(7.23%)	0.002289890	1.274972217 Hartree
114	RY*(2)C4 s(0.04%)p99.99(97.15%)d65.47(2.81%)	0.001109612	0.770213756 Hartree
115	RY*(3)C4 s(0.00%)p1.00(58.65%)d0.71(41.35%)	0.000749182	1.150075799 Hartree
116	RY*(4)C4 s(0.00%)p1.00(36.73%)d1.72(63.27%)	0.000192842	1.430603472 Hartree
117	RY*(5)C4 s(95.10%)p0.00(0.14%)d0.05(4.76%)	0.000094180	1.103449154 Hartree
118	RY*(6)C4 s(0.77%)p3.35(2.57%)d99.99(96.66%)	0.000040269	2.347924938 Hartree
119	RY*(7)C4 s(0.00%)p1.00(4.65%)d20.50(95.35%)	0.000007999	1.757287735 Hartree
120	RY*(8)C4 s(99.15%)p0.00(0.06%)d0.01(0.79%)	0.000015232	4.145232157 Hartree
121	RY*(9)C4 s(4.23%)p1.74(7.38%)d20.89(88.39%)	0.000008635	2.169821499 Hartree
122	RY*(10)C4 s(0.57%)p0.35(0.20%)d99.99(99.24%)	0.000010037	2.295838277 Hartree
123	RY*(1)C5 s(0.36%)p99.99(92.78%)d18.78(6.85%)	0.002373436	1.249209865 Hartree
124	RY*(2)C5 s(0.03%)p99.99(98.54%)d41.43(1.43%)	0.001374828	0.711629241 Hartree
125	RY*(3)C5 s(0.00%)p1.00(43.99%)d1.27(56.01%)	0.001031823	1.347100283 Hartree
126	RY*(4)C5 s(0.00%)p1.00(51.62%)d0.94(48.38%)	0.000209157	1.240449511 Hartree
127	RY*(5)C5 s(96.05%)p0.00(0.06%)d0.04(3.90%)	0.000102955	1.092512528 Hartree
128	RY*(6)C5 s(0.15%)p10.01(1.46%)d99.99(98.40%)	0.000043926	2.334536783 Hartree
129	RY*(7)C5 s(0.00%)p1.00(4.46%)d21.44(95.54%)	0.000005208	1.757321884 Hartree
130	RY*(8)C5 s(99.97%)p0.00(0.01%)d0.00(0.02%)	0.000012157	4.153532578 Hartree
131	RY*(9)C5 s(3.13%)p2.30(7.20%)d28.69(89.68%)	0.000007276	2.153099062 Hartree
132	RY*(10)C5 s(0.36%)p0.14(0.05%)d99.99(99.59%)	0.000008152	2.278375659 Hartree
133	RY*(1)C6 s(0.34%)p99.99(91.99%)d22.27(7.67%)	0.002220307	1.262355665 Hartree
134	RY*(2)C6 s(0.00%)p1.00(98.19%)d0.02(1.81%)	0.001177871	0.716553891 Hartree
135	RY*(3)C6 s(0.00%)p1.00(92.66%)d0.08(7.34%)	0.001024192	0.686369404 Hartree
136	RY*(4)C6 s(0.00%)p1.00(1.61%)d61.25(98.39%)	0.000243223	1.894275059 Hartree
137	RY*(5)C6 s(94.01%)p0.00(0.04%)d0.06(5.95%)	0.000094448	1.064906124 Hartree
138	RY*(6)C6 s(0.03%)p56.96(1.86%)d99.99(98.11%)	0.000046313	2.325872734 Hartree
139	RY*(7)C6 s(52.99%)p0.00(0.06%)d0.89(46.95%)	0.000024363	3.361147144 Hartree
140	RY*(8)C6 s(0.00%)p1.00(5.76%)d16.37(94.24%)	0.000002565	1.732515539 Hartree
141	RY*(9)C6 s(5.21%)p1.53(7.96%)d16.68(86.84%)	0.000005417	2.081289753 Hartree
142	RY*(10)C6 s(47.45%)p0.00(0.01%)d1.11(52.54%)	0.000001689	3.111468617 Hartree
143	RY*(1)C7 s(0.46%)p99.99(92.87%)d14.41(6.66%)	0.002446537	1.246340193 Hartree
144	RY*(2)C7 s(0.14%)p99.99(98.48%)d9.92(1.38%)	0.001402196	0.709954965 Hartree
145	RY*(3)C7 s(0.00%)p1.00(4.89%)d19.47(95.11%)	0.000630156	1.866181955 Hartree
146	RY*(4)C7 s(0.00%)p1.00(85.38%)d0.17(14.62%)	0.000158460	0.778746150 Hartree
147	RY*(5)C7 s(95.55%)p0.00(0.14%)d0.05(4.31%)	0.000116036	1.140788752 Hartree
148	RY*(6)C7 s(1.24%)p1.20(1.48%)d78.74(97.29%)	0.000043478	2.321272338 Hartree
149	RY*(7)C7 s(99.99%)p0.00(0.01%)d0.00(0.01%)	0.000011272	4.117717697 Hartree
150	RY*(8)C7 s(0.00%)p1.00(9.80%)d9.21(90.20%)	0.000001828	1.703990385 Hartree
151	RY*(9)C7 s(2.46%)p2.87(7.07%)d36.73(90.47%)	0.000007511	2.169298654 Hartree
152	RY*(10)C7 s(0.21%)p0.23(0.05%)d99.99(99.74%)	0.000008200	2.279517902 Hartree
153	RY*(1)C8 s(0.12%)p99.99(92.18%)d63.80(7.70%)	0.002053919	1.284056330 Hartree
154	RY*(2)C8 s(0.00%)p1.00(92.27%)d0.08(7.73%)	0.001266153	0.709363774 Hartree
155	RY*(3)C8 s(0.29%)p99.99(97.30%)d8.19(2.40%)	0.001129854	0.859329442 Hartree
156	RY*(4)C8 s(0.00%)p1.00(4.81%)d19.77(95.19%)	0.000212384	1.857345234 Hartree
157	RY*(5)C8 s(97.03%)p0.01(0.49%)d0.03(2.48%)	0.000117319	1.039798544 Hartree
158	RY*(6)C8 s(2.58%)p0.93(2.39%)d36.89(95.04%)	0.000043272	2.378431956 Hartree
159	RY*(7)C8 s(1.23%)p5.91(7.28%)d74.29(91.49%)	0.000020733	2.233476338 Hartree
160	RY*(8)C8 s(98.35%)p0.00(0.07%)d0.02(1.58%)	0.000015523	4.181477003 Hartree
161	RY*(9)C8 s(0.00%)p1.00(2.95%)d32.95(97.05%)	0.000010358	1.771609186 Hartree
162	RY*(10)C8 s(0.44%)p0.82(0.36%)d99.99(99.19%)	0.000009295	2.276525206 Hartree
163	RY*(1)H9 s(100.00%)	0.000432435	0.667564730 Hartree
164	RY*(1)H10 s(100.00%)	0.000390127	0.563180385 Hartree
165	RY*(1)H11 s(100.00%)	0.000377543	0.566010352 Hartree
166	RY*(1)H12 s(100.00%)	0.000387184	0.564742594 Hartree
167	RY*(1)H13 s(100.00%)	0.000448260	0.574598940 Hartree
168	RY*(1)H14 s(100.00%)	0.000522078	0.702633597 Hartree
169	RY*(1)C15 s(0.34%)p99.99(96.85%)d8.17(2.81%)	0.003321809	1.172224211 Hartree
170	RY*(2)C15 s(1.64%)p56.57(92.70%)d3.46(5.66%)	0.002625007	1.277020876 Hartree
171	RY*(3)C15 s(0.00%)p1.00(52.91%)d0.89(47.09%)	0.001346709	1.242660307 Hartree
172	RY*(4)C15 s(0.00%)p1.00(1.23%)d80.49(98.77%)	0.000348197	1.896952281 Hartree
173	RY*(5)C15 s(0.00%)p1.00(45.91%)d1.18(54.09%)	0.000294105	1.335011891 Hartree
174	RY*(6)C15 s(94.96%)p0.03(2.66%)d0.03(2.38%)	0.000196454	1.063764732 Hartree
175	RY*(7)C15 s(4.44%)p0.48(2.12%)d21.05(93.44%)	0.000062874	2.405072314 Hartree
176	RY*(8)C15 s(65.36%)p0.00(0.17%)d0.53(34.46%)	0.000024802	3.611896789 Hartree
177	RY*(9)C15 s(0.21%)p26.55(5.57%)d99.99(94.22%)	0.000032621	2.309662077 Hartree
178	RY*(10)C15 s(33.07%)p0.00(0.01%)d2.02(66.91%)	0.000003444	2.898632329 Hartree
179	RY*(1)C16 s(0.18%)p99.99(92.59%)d40.91(7.23%)	0.002289890	1.274972217 Hartree
180	RY*(2)C16 s(0.04%)p99.99(97.15%)d65.47(2.81%)	0.001109612	0.770213756 Hartree
181	RY*(3)C16 s(0.00%)p1.00(62.50%)d0.60(37.50%)	0.000599373	1.100690376 Hartree
182	RY*(4)C16 s(0.00%)p1.00(32.98%)d2.03(67.02%)	0.000209704	1.479947513 Hartree
183	RY*(5)C16 s(95.10%)p0.00(0.14%)d0.05(4.76%)	0.000094180	1.103449154 Hartree
184	RY*(6)C16 s(0.77%)p3.35(2.57%)d99.99(96.66%)	0.000040269	2.347924938 Hartree
185	RY*(7)C16 s(0.00%)p1.00(4.56%)d20.94(95.44%)	0.000008000	1.758190236 Hartree
186	RY*(8)C16 s(99.15%)p0.00(0.06%)d0.01(0.79%)	0.000015232	4.145232156 Hartree
187	RY*(9)C16 s(4.23%)p1.74(7.38%)d20.89(88.39%)	0.000008635	2.169821499 Hartree
188	RY*(10)C16 s(0.57%)p0.35(0.20%)d99.99(99.24%)	0.000010037	2.295838277 Hartree
189	RY*(1)C17 s(0.36%)p99.99(92.78%)d18.78(6.85%)	0.002373436	1.249209865 Hartree
190	RY*(2)C17 s(0.03%)p99.99(98.54%)d41.43(1.43%)	0.001374828	0.711629241 Hartree
191	RY*(3)C17 s(0.00%)p1.00(44.70%)d1.24(55.30%)	0.000769567	1.341130121 Hartree
192	RY*(4)C17 s(0.00%)p1.00(50.99%)d0.96(49.01%)	0.000230506	1.247528275 Hartree
193	RY*(5)C17 s(96.05%)p0.00(0.06%)d0.04(3.90%)	0.000102955	1.092512528 Hartree
194	RY*(6)C17 s(0.15%)p10.01(1.46%)d99.99(98.40%)	0.000043926	2.334536783 Hartree
195	RY*(7)C17 s(0.00%)p1.00(4.36%)d21.92(95.64%)	0.000005139	1.758300926 Hartree
196	RY*(8)C17 s(99.97%)p0.00(0.01%)d0.00(0.02%)	0.000012157	4.153532579 Hartree
197	RY*(9)C17 s(3.13%)p2.30(7.20%)d28.69(89.68%)	0.000007276	2.153099062 Hartree
198	RY*(10)C17 s(0.36%)p0.14(0.05%)d99.99(99.59%)	0.000008152	2.278375659 Hartree
199	RY*(1)C18 s(0.34%)p99.99(91.99%)d22.27(7.67%)	0.002220307	1.262355665 Hartree
200	RY*(2)C18 s(0.00%)p1.00(98.19%)d0.02(1.81%)	0.001177871	0.716553891 Hartree
201	RY*(3)C18 s(0.00%)p1.00(94.07%)d0.06(5.93%)	0.000983241	0.667820525 Hartree
202	RY*(4)C18 s(0.00%)p1.00(0.19%)d99.99(99.81%)	0.000246047	1.913026074 Hartree
203	RY*(5)C18 s(94.01%)p0.00(0.04%)d0.06(5.95%)	0.000094448	1.064906124 Hartree
204	RY*(6)C18 s(0.03%)p56.96(1.86%)d99.99(98.11%)	0.000046313	2.325872734 Hartree
205	RY*(7)C18 s(52.99%)p0.00(0.06%)d0.89(46.95%)	0.000024363	3.361147144 Hartree
206	RY*(8)C18 s(0.00%)p1.00(5.75%)d16.38(94.25%)	0.000002564	1.732565288 Hartree
207	RY*(9)C18 s(5.20%)p1.53(7.96%)d16.70(86.84%)	0.000005418	2.081188222 Hartree
208	RY*(10)C18 s(47.46%)p0.00(0.01%)d1.11(52.53%)	0.000001689	3.111570148 Hartree
209	RY*(1)C19 s(0.46%)p99.99(92.87%)d14.41(6.66%)	0.002446537	1.246340193 Hartree
210	RY*(2)C19 s(0.14%)p99.99(98.48%)d9.92(1.38%)	0.001402196	0.709954965 Hartree
211	RY*(3)C19 s(0.00%)p1.00(8.52%)d10.74(91.48%)	0.000723182	1.816600861 Hartree
212	RY*(4)C19 s(0.00%)p1.00(81.61%)d0.23(18.39%)	0.000151300	0.828972112 Hartree
213	RY*(5)C19 s(95.55%)p0.00(0.14%)d0.05(4.31%)	0.000116036	1.140788752 Hartree
214	RY*(6)C19 s(1.24%)p1.20(1.48%)d78.74(97.29%)	0.000043478	2.321272338 Hartree
215	RY*(7)C19 s(99.99%)p0.00(0.01%)d0.00(0.01%)	0.000011272	4.117717697 Hartree
216	RY*(8)C19 s(0.00%)p1.00(9.95%)d9.05(90.05%)	0.000001839	1.702410883 Hartree
217	RY*(9)C19 s(2.46%)p2.87(7.07%)d36.73(90.47%)	0.000007511	2.169298654 Hartree
218	RY*(10)C19 s(0.21%)p0.23(0.05%)d99.99(99.74%)	0.000008200	2.279517902 Hartree
219	RY*(1)C20 s(0.12%)p99.99(92.18%)d63.80(7.70%)	0.002053919	1.284056330 Hartree
220	RY*(2)C20 s(0.00%)p1.00(89.23%)d0.12(10.77%)	0.001482659	0.747703869 Hartree
221	RY*(3)C20 s(0.29%)p99.99(97.30%)d8.19(2.40%)	0.001129854	0.859329442 Hartree
222	RY*(4)C20 s(0.00%)p1.00(7.83%)d11.78(92.17%)	0.000207232	1.818168823 Hartree
223	RY*(5)C20 s(97.03%)p0.01(0.49%)d0.03(2.48%)	0.000117319	1.039798544 Hartree
224	RY*(6)C20 s(2.58%)p0.93(2.39%)d36.89(95.04%)	0.000043272	2.378431956 Hartree
225	RY*(7)C20 s(1.23%)p5.91(7.28%)d74.29(91.49%)	0.000020733	2.233476338 Hartree
226	RY*(8)C20 s(98.35%)p0.00(0.07%)d0.02(1.58%)	0.000015523	4.181477003 Hartree
227	RY*(9)C20 s(0.00%)p1.00(2.97%)d32.62(97.03%)	0.000010379	1.771253096 Hartree
228	RY*(10)C20 s(0.44%)p0.82(0.36%)d99.99(99.19%)	0.000009295	2.276525207 Hartree
229	RY*(1)H21 s(100.00%)	0.000432435	0.667564730 Hartree
230	RY*(1)H22 s(100.00%)	0.000390127	0.563180385 Hartree
231	RY*(1)H23 s(100.00%)	0.000377543	0.566010352 Hartree
232	RY*(1)H24 s(100.00%)	0.000387184	0.564742594 Hartree
233	RY*(1)H25 s(100.00%)	0.000448260	0.574598940 Hartree
234	RY*(1)H26 s(100.00%)	0.000522078	0.702633597 Hartree
235	BD(1)C1(C2) 1s(38.12%)p1.62(61.83%)d0.00(0.04%)	0.498195796	-0.007904729 Hartree
236	BD(1)C2(C1) 2s(38.12%)p1.62(61.83%)d0.00(0.04%)	0.498195796	-0.007904729 Hartree
237	BD(1)C1(C15) 1s(31.29%)p2.19(68.68%)d0.00(0.02%)	0.482384990	-0.063135605 Hartree
238	BD(1)C15(C1) 15s(30.43%)p2.29(69.55%)d0.00(0.03%)	0.516641812	-0.098292044 Hartree
239	BD(1)C1(H26) 1s(30.63%)p2.26(69.32%)d0.00(0.05%)	0.601063057	-0.123132559 Hartree
240	BD(1)H26(C1) 26s(100.00%)	0.396608394	0.080772083 Hartree
241	BD(1)C2(C3) 2s(31.29%)p2.19(68.68%)d0.00(0.02%)	0.482384990	-0.063135605 Hartree
242	BD(1)C3(C2) 3s(30.43%)p2.29(69.55%)d0.00(0.03%)	0.516641812	-0.098292044 Hartree
243	BD(1)C2(H14) 2s(30.63%)p2.26(69.32%)d0.00(0.05%)	0.601063057	-0.123132559 Hartree
244	BD(1)H14(C2) 14s(100.00%)	0.396608394	0.080772083 Hartree
245	BD(1)C3(C4) 3s(34.87%)p1.87(65.09%)d0.00(0.04%)	0.510439704	-0.073798614 Hartree
246	BD(1)C4(C3) 4s(34.79%)p1.87(65.16%)d0.00(0.04%)	0.488338532	-0.047656015 Hartree
247	BD(2)C3(C4) 3s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.509761026	-0.073136897 Hartree
248	BD(2)C4(C3) 4s(0.00%)p1.00(99.97%)d0.00(0.03%)	0.489134555	-0.047984562 Hartree
249	BD(1)C3(C8) 3s(34.67%)p1.88(65.29%)d0.00(0.04%)	0.497232908	-0.056897046 Hartree
250	BD(1)C8(C3) 8s(34.39%)p1.91(65.57%)d0.00(0.04%)	0.500408425	-0.060895847 Hartree
251	BD(1)C4(C5) 4s(34.91%)p1.86(65.06%)d0.00(0.03%)	0.418294857	-0.086651062 Hartree
252	BD(1)C5(C4) 5s(34.87%)p1.87(65.09%)d0.00(0.04%)	0.524012053	-0.108856707 Hartree
253	BD(1)C4(H13) 4s(30.26%)p2.30(69.69%)d0.00(0.05%)	0.613243556	-0.134881805 Hartree
254	BD(1)H13(C4) 13s(100.00%)	0.384176755	0.089541866 Hartree
255	BD(1)C5(C6) 5s(34.68%)p1.88(65.28%)d0.00(0.04%)	0.504440062	-0.067016875 Hartree
256	BD(1)C6(C5) 6s(34.87%)p1.87(65.09%)d0.00(0.04%)	0.493999327	-0.054704598 Hartree
257	BD(2)C5(C6) 5s(0.00%)p1.00(99.94%)d0.00(0.06%)	0.618044262	-0.139310201 Hartree
258	BD(2)C6(C5) 6s(0.00%)p1.00(99.98%)d0.00(0.02%)	0.379534836	0.095292070 Hartree
259	BD(1)C5(H12) 5s(30.41%)p2.29(69.53%)d0.00(0.06%)	0.493119146	-0.053888073 Hartree
260	BD(1)H12(C5) 12s(100.00%)	0.505308001	-0.068181716 Hartree
261	BD(1)C6(C7) 6s(34.90%)p1.86(65.06%)d0.00(0.04%)	0.610946560	-0.129517036 Hartree
262	BD(1)C7(C6) 7s(34.72%)p1.88(65.24%)d0.00(0.04%)	0.386663390	0.090683953 Hartree
263	BD(1)C6(H11) 6s(30.20%)p2.31(69.75%)d0.00(0.05%)	0.500426018	-0.060882891 Hartree
264	BD(1)H11(C6) 11s(100.00%)	0.497135287	-0.055183151 Hartree
265	BD(1)C7(C8) 7s(34.80%)p1.87(65.16%)d0.00(0.04%)	0.539524079	-0.113267743 Hartree
266	BD(1)C8(C7) 8s(35.22%)p1.84(64.75%)d0.00(0.03%)	0.400668673	-0.082493700 Hartree
267	BD(2)C7(C8) 7s(0.00%)p1.00(99.94%)d0.00(0.06%)	0.618903702	-0.141556486 Hartree
268	BD(2)C8(C7) 8s(0.00%)p1.00(99.97%)d0.00(0.03%)	0.378740920	0.094921015 Hartree
269	BD(1)C7(H10) 7s(30.44%)p2.28(69.51%)d0.00(0.06%)	0.608280263	-0.131525155 Hartree
270	BD(1)H10(C7) 10s(100.00%)	0.388957213	0.088224315 Hartree
271	BD(1)C8(H9) 8s(30.35%)p2.29(69.60%)d0.00(0.05%)	0.510439704	-0.073798614 Hartree
272	BD(1)H9(C8) 9s(100.00%)	0.488338532	-0.047656015 Hartree
273	BD(1)C15(C16) 15s(34.87%)p1.87(65.09%)d0.00(0.04%)	0.509761026	-0.073136897 Hartree
274	BD(1)C16(C15) 16s(34.79%)p1.87(65.16%)d0.00(0.04%)	0.489134555	-0.047984562 Hartree
275	BD(1)C15(C20) 15s(34.67%)p1.88(65.29%)d0.00(0.04%)	0.497232908	-0.056897046 Hartree
276	BD(1)C20(C15) 20s(34.39%)p1.91(65.57%)d0.00(0.04%)	0.500408425	-0.060895847 Hartree
277	BD(2)C15(C20) 15s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.418294857	-0.086651062 Hartree
278	BD(2)C20(C15) 20s(0.00%)p1.00(99.97%)d0.00(0.03%)	0.524012053	-0.108856707 Hartree
279	BD(1)C16(C17) 16s(34.91%)p1.86(65.06%)d0.00(0.03%)	0.613243556	-0.134881805 Hartree
280	BD(1)C17(C16) 17s(34.87%)p1.87(65.09%)d0.00(0.04%)	0.384176755	0.089541866 Hartree
281	BD(2)C16(C17) 16s(0.00%)p1.00(99.97%)d0.00(0.03%)	0.504440062	-0.067016875 Hartree
282	BD(2)C17(C16) 17s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.493999327	-0.054704598 Hartree
283	BD(1)C16(H25) 16s(30.26%)p2.30(69.69%)d0.00(0.05%)	0.618044262	-0.139310201 Hartree
284	BD(1)H25(C16) 25s(100.00%)	0.379534836	0.095292070 Hartree
285	BD(1)C17(C18) 17s(34.68%)p1.88(65.28%)d0.00(0.04%)	0.493119146	-0.053888073 Hartree
286	BD(1)C18(C17) 18s(34.87%)p1.87(65.09%)d0.00(0.04%)	0.505308001	-0.068181716 Hartree
287	BD(1)C17(H24) 17s(30.41%)p2.29(69.53%)d0.00(0.06%)	0.610946560	-0.129517036 Hartree
288	BD(1)H24(C17) 24s(100.00%)	0.386663390	0.090683953 Hartree
289	BD(1)C18(C19) 18s(34.90%)p1.86(65.06%)d0.00(0.04%)	0.500426018	-0.060882891 Hartree
290	BD(1)C19(C18) 19s(34.72%)p1.88(65.24%)d0.00(0.04%)	0.497135287	-0.055183151 Hartree
291	BD(2)C18(C19) 18s(0.00%)p1.00(99.98%)d0.00(0.02%)	0.539524079	-0.113267743 Hartree
292	BD(2)C19(C18) 19s(0.00%)p1.00(99.93%)d0.00(0.07%)	0.400668673	-0.082493700 Hartree
293	BD(1)C18(H23) 18s(30.20%)p2.31(69.75%)d0.00(0.05%)	0.618903702	-0.141556486 Hartree
294	BD(1)H23(C18) 23s(100.00%)	0.378740920	0.094921015 Hartree
295	BD(1)C19(C20) 19s(34.80%)p1.87(65.16%)d0.00(0.04%)	0.608280263	-0.131525155 Hartree
296	BD(1)C20(C19) 20s(35.22%)p1.84(64.75%)d0.00(0.03%)	0.388957213	0.088224315 Hartree
297	BD(1)C19(H22) 19s(30.44%)p2.28(69.51%)d0.00(0.06%)	0.999446741	-10.040911972 Hartree
298	BD(1)H22(C19) 22s(100.00%)	0.999446741	-10.040911972 Hartree
299	BD(1)C20(H21) 20s(30.35%)p2.29(69.60%)d0.00(0.05%)	0.999530159	-10.066670676 Hartree
300	BD(1)H21(C20) 21s(100.00%)	0.999539098	-10.052239716 Hartree
301	CR(1)C1 s(100.00%)p0.00(0.00%)	0.999585223	-10.058525813 Hartree
302	CR(1)C2 s(100.00%)p0.00(0.00%)	0.999573928	-10.054321975 Hartree
303	CR(1)C3 s(100.00%)	0.999584744	-10.060182221 Hartree
304	CR(1)C4 s(100.00%)p0.00(0.00%)	0.999534935	-10.050197499 Hartree
305	CR(1)C5 s(100.00%)p0.00(0.00%)	0.999530159	-10.066670676 Hartree
306	CR(1)C6 s(100.00%)p0.00(0.00%)	0.999539098	-10.052239716 Hartree
307	CR(1)C7 s(100.00%)p0.00(0.00%)	0.999585223	-10.058525813 Hartree
308	CR(1)C8 s(100.00%)p0.00(0.00%)	0.999573928	-10.054321975 Hartree
309	CR(1)C15 s(100.00%)	0.999584744	-10.060182221 Hartree
310	CR(1)C16 s(100.00%)p0.00(0.00%)	0.999534935	-10.050197499 Hartree
311	CR(1)C17 s(100.00%)p0.00(0.00%)	0.280830152	-0.057194948 Hartree
312	CR(1)C18 s(100.00%)p0.00(0.00%)	0.280830152	-0.057194948 Hartree
313	CR(1)C19 s(100.00%)p0.00(0.00%)	0.465330839	-0.090381324 Hartree
314	CR(1)C20 s(100.00%)p0.00(0.00%)	0.368843500	-0.075809013 Hartree
315	LP(1)C1 s(0.00%)p1.00(99.99%)d0.00(0.01%)	0.465330839	-0.090381324 Hartree
316	LP(1)C2 s(0.00%)p1.00(99.99%)d0.00(0.01%)	0.368843500	-0.075809013 Hartree
317	RY*(1)C1 s(0.00%)p1.00(86.38%)d0.16(13.62%)	0.002169743	1.199007626 Hartree
318	RY*(2)C1 s(0.30%)p99.99(93.85%)d19.63(5.85%)	0.001462843	0.985611585 Hartree
319	RY*(3)C1 s(5.30%)p17.10(90.69%)d0.75(4.00%)	0.000158941	1.271725414 Hartree
320	RY*(4)C1 s(0.00%)p1.00(10.90%)d8.18(89.10%)	0.000137498	1.936812789 Hartree
321	RY*(5)C1 s(87.95%)p0.06(5.28%)d0.08(6.78%)	0.000063691	0.642022055 Hartree
322	RY*(6)C1 s(43.70%)p0.03(1.35%)d1.26(54.95%)	0.000029650	2.801508925 Hartree
323	RY*(7)C1 s(0.43%)p17.09(7.33%)d99.99(92.25%)	0.000039107	2.243390773 Hartree
324	RY*(8)C1 s(57.09%)p0.03(1.51%)d0.73(41.40%)	0.000005559	3.533596156 Hartree
325	RY*(9)C1 s(0.00%)p1.00(2.73%)d35.63(97.27%)	0.000004034	1.841554148 Hartree
326	RY*(10)C1 s(5.19%)p0.03(0.15%)d18.23(94.66%)	0.000008092	2.392579007 Hartree
327	RY*(1)C2 s(0.00%)p1.00(86.38%)d0.16(13.62%)	0.002169743	1.199007626 Hartree
328	RY*(2)C2 s(0.30%)p99.99(93.85%)d19.63(5.85%)	0.001462843	0.985611585 Hartree
329	RY*(3)C2 s(5.30%)p17.10(90.69%)d0.75(4.00%)	0.000158941	1.271725414 Hartree
330	RY*(4)C2 s(0.00%)p1.00(10.90%)d8.18(89.10%)	0.000137498	1.936812789 Hartree
331	RY*(5)C2 s(87.95%)p0.06(5.28%)d0.08(6.78%)	0.000063691	0.642022055 Hartree
332	RY*(6)C2 s(43.70%)p0.03(1.35%)d1.26(54.95%)	0.000029650	2.801508926 Hartree
333	RY*(7)C2 s(0.43%)p17.09(7.33%)d99.99(92.25%)	0.000039107	2.243390773 Hartree
334	RY*(8)C2 s(57.09%)p0.03(1.51%)d0.73(41.40%)	0.000005559	3.533596155 Hartree
335	RY*(9)C2 s(0.00%)p1.00(2.73%)d35.63(97.27%)	0.000004034	1.841554148 Hartree
336	RY*(10)C2 s(5.19%)p0.03(0.15%)d18.23(94.66%)	0.000008092	2.392579007 Hartree
337	RY*(1)C3 s(0.34%)p99.99(96.85%)d8.17(2.81%)	0.003184117	1.178334901 Hartree
338	RY*(2)C3 s(1.64%)p56.57(92.70%)d3.46(5.66%)	0.002635405	1.285206540 Hartree
339	RY*(3)C3 s(0.00%)p1.00(56.94%)d0.76(43.06%)	0.000243811	1.914318925 Hartree
340	RY*(4)C3 s(0.00%)p1.00(6.75%)d13.82(93.25%)	0.000201578	1.091534840 Hartree
341	RY*(5)C3 s(0.00%)p1.00(36.35%)d1.75(63.65%)	0.000142390	1.209447979 Hartree
342	RY*(6)C3 s(94.96%)p0.03(2.66%)d0.03(2.38%)	0.000062211	2.391941588 Hartree
343	RY*(7)C3 s(4.44%)p0.48(2.12%)d21.05(93.44%)	0.000056593	1.372979457 Hartree
344	RY*(8)C3 s(65.36%)p0.00(0.17%)d0.53(34.46%)	0.000027501	3.450968237 Hartree
345	RY*(9)C3 s(0.21%)p26.55(5.57%)d99.99(94.22%)	0.000034507	2.302906686 Hartree
346	RY*(10)C3 s(33.07%)p0.00(0.01%)d2.02(66.91%)	0.000004115	3.056096707 Hartree
347	RY*(1)C4 s(0.18%)p99.99(92.59%)d40.91(7.23%)	0.002287773	1.276972446 Hartree
348	RY*(2)C4 s(0.04%)p99.99(97.15%)d65.47(2.81%)	0.001118088	0.772099347 Hartree
349	RY*(3)C4 s(0.00%)p1.00(58.65%)d0.71(41.35%)	0.000280589	1.772795410 Hartree
350	RY*(4)C4 s(0.00%)p1.00(36.73%)d1.72(63.27%)	0.000138303	0.902335255 Hartree
351	RY*(5)C4 s(95.10%)p0.00(0.14%)d0.05(4.76%)	0.000095310	1.135828093 Hartree
352	RY*(6)C4 s(0.77%)p3.35(2.57%)d99.99(96.66%)	0.000041615	2.346736892 Hartree
353	RY*(7)C4 s(0.00%)p1.00(4.65%)d20.50(95.35%)	0.000014460	4.130415055 Hartree
354	RY*(8)C4 s(99.15%)p0.00(0.06%)d0.01(0.79%)	0.000001150	1.697877508 Hartree
355	RY*(9)C4 s(4.23%)p1.74(7.38%)d20.89(88.39%)	0.000009133	2.170086228 Hartree
356	RY*(10)C4 s(0.57%)p0.35(0.20%)d99.99(99.24%)	0.000009181	2.311063941 Hartree
357	RY*(1)C5 s(0.36%)p99.99(92.78%)d18.78(6.85%)	0.002333184	1.253219077 Hartree
358	RY*(2)C5 s(0.03%)p99.99(98.54%)d41.43(1.43%)	0.001351019	0.714782786 Hartree
359	RY*(3)C5 s(0.00%)p1.00(43.99%)d1.27(56.01%)	0.000158204	0.737565157 Hartree
360	RY*(4)C5 s(0.00%)p1.00(51.62%)d0.94(48.38%)	0.000155773	1.925666004 Hartree
361	RY*(5)C5 s(96.05%)p0.00(0.06%)d0.04(3.90%)	0.000103350	1.105059700 Hartree
362	RY*(6)C5 s(0.15%)p10.01(1.46%)d99.99(98.40%)	0.000044262	2.330465791 Hartree
363	RY*(7)C5 s(0.00%)p1.00(4.46%)d21.44(95.54%)	0.000012140	4.138164700 Hartree
364	RY*(8)C5 s(99.97%)p0.00(0.01%)d0.00(0.02%)	0.000011519	2.267673937 Hartree
365	RY*(9)C5 s(3.13%)p2.30(7.20%)d28.69(89.68%)	0.000007803	2.153153942 Hartree
366	RY*(10)C5 s(0.36%)p0.14(0.05%)d99.99(99.59%)	0.000000111	1.675716921 Hartree
367	RY*(1)C6 s(0.34%)p99.99(91.99%)d22.27(7.67%)	0.002220055	1.263761973 Hartree
368	RY*(2)C6 s(0.00%)p1.00(98.19%)d0.02(1.81%)	0.001213585	0.716109573 Hartree
369	RY*(3)C6 s(0.00%)p1.00(92.66%)d0.08(7.34%)	0.000269230	1.935907972 Hartree
370	RY*(4)C6 s(0.00%)p1.00(1.61%)d61.25(98.39%)	0.000098476	0.756324035 Hartree
371	RY*(5)C6 s(94.01%)p0.00(0.04%)d0.06(5.95%)	0.000098611	1.082109262 Hartree
372	RY*(6)C6 s(0.03%)p56.96(1.86%)d99.99(98.11%)	0.000046438	2.332090940 Hartree
373	RY*(7)C6 s(52.99%)p0.00(0.06%)d0.89(46.95%)	0.000012001	4.165423488 Hartree
374	RY*(8)C6 s(0.00%)p1.00(5.76%)d16.37(94.24%)	0.000000108	1.678340197 Hartree
375	RY*(9)C6 s(5.21%)p1.53(7.96%)d16.68(86.84%)	0.000006295	2.136013460 Hartree
376	RY*(10)C6 s(47.45%)p0.00(0.01%)d1.11(52.54%)	0.000008479	2.288356846 Hartree
377	RY*(1)C7 s(0.46%)p99.99(92.87%)d14.41(6.66%)	0.002399170	1.250520680 Hartree
378	RY*(2)C7 s(0.14%)p99.99(98.48%)d9.92(1.38%)	0.001375769	0.712956440 Hartree
379	RY*(3)C7 s(0.00%)p1.00(4.89%)d19.47(95.11%)	0.000165032	0.763399930 Hartree
380	RY*(4)C7 s(0.00%)p1.00(85.38%)d0.17(14.62%)	0.000148446	1.888528561 Hartree
381	RY*(5)C7 s(95.55%)p0.00(0.14%)d0.05(4.31%)	0.000116240	1.155574914 Hartree
382	RY*(6)C7 s(1.24%)p1.20(1.48%)d78.74(97.29%)	0.000043964	2.317608231 Hartree
383	RY*(7)C7 s(99.99%)p0.00(0.01%)d0.00(0.01%)	0.000011439	4.102424632 Hartree
384	RY*(8)C7 s(0.00%)p1.00(9.80%)d9.21(90.20%)	0.000012380	2.260864085 Hartree
385	RY*(9)C7 s(2.46%)p2.87(7.07%)d36.73(90.47%)	0.000007994	2.165450775 Hartree
386	RY*(10)C7 s(0.21%)p0.23(0.05%)d99.99(99.74%)	0.000000637	1.681362488 Hartree
387	RY*(1)C8 s(0.12%)p99.99(92.18%)d63.80(7.70%)	0.002055451	1.281274579 Hartree
388	RY*(2)C8 s(0.00%)p1.00(92.27%)d0.08(7.73%)	0.001123176	0.865251007 Hartree
389	RY*(3)C8 s(0.29%)p99.99(97.30%)d8.19(2.40%)	0.000289189	1.917050607 Hartree
390	RY*(4)C8 s(0.00%)p1.00(4.81%)d19.77(95.19%)	0.000142323	0.787483082 Hartree
391	RY*(5)C8 s(97.03%)p0.01(0.49%)d0.03(2.48%)	0.000118010	1.061804325 Hartree
392	RY*(6)C8 s(2.58%)p0.93(2.39%)d36.89(95.04%)	0.000045178	2.365386230 Hartree
393	RY*(7)C8 s(1.23%)p5.91(7.28%)d74.29(91.49%)	0.000014803	4.192564613 Hartree
394	RY*(8)C8 s(98.35%)p0.00(0.07%)d0.02(1.58%)	0.000022447	2.227569118 Hartree
395	RY*(9)C8 s(0.00%)p1.00(2.95%)d32.95(97.05%)	0.000000259	1.679118159 Hartree
396	RY*(10)C8 s(0.44%)p0.82(0.36%)d99.99(99.19%)	0.000007856	2.307943222 Hartree
397	RY*(1)H9 s(100.00%)	0.000454765	0.667928730 Hartree
398	RY*(1)H10 s(100.00%)	0.000386364	0.562925235 Hartree
399	RY*(1)H11 s(100.00%)	0.000403706	0.566774124 Hartree
400	RY*(1)H12 s(100.00%)	0.000385573	0.564604026 Hartree
401	RY*(1)H13 s(100.00%)	0.000473564	0.575043010 Hartree
402	RY*(1)H14 s(100.00%)	0.000551155	0.703209651 Hartree
403	RY*(1)C15 s(0.34%)p99.99(96.85%)d8.17(2.81%)	0.003184117	1.178334901 Hartree
404	RY*(2)C15 s(1.64%)p56.57(92.70%)d3.46(5.66%)	0.002635405	1.285206540 Hartree
405	RY*(3)C15 s(0.00%)p1.00(52.91%)d0.89(47.09%)	0.000243811	1.914318925 Hartree
406	RY*(4)C15 s(0.00%)p1.00(1.23%)d80.49(98.77%)	0.000201578	1.091534840 Hartree
407	RY*(5)C15 s(0.00%)p1.00(45.91%)d1.18(54.09%)	0.000142390	1.209447979 Hartree
408	RY*(6)C15 s(94.96%)p0.03(2.66%)d0.03(2.38%)	0.000062211	2.391941588 Hartree
409	RY*(7)C15 s(4.44%)p0.48(2.12%)d21.05(93.44%)	0.000056593	1.372979457 Hartree
410	RY*(8)C15 s(65.36%)p0.00(0.17%)d0.53(34.46%)	0.000027501	3.450968236 Hartree
411	RY*(9)C15 s(0.21%)p26.55(5.57%)d99.99(94.22%)	0.000034507	2.302906686 Hartree
412	RY*(10)C15 s(33.07%)p0.00(0.01%)d2.02(66.91%)	0.000004115	3.056096707 Hartree
413	RY*(1)C16 s(0.18%)p99.99(92.59%)d40.91(7.23%)	0.002287773	1.276972446 Hartree
414	RY*(2)C16 s(0.04%)p99.99(97.15%)d65.47(2.81%)	0.001118088	0.772099347 Hartree
415	RY*(3)C16 s(0.00%)p1.00(62.50%)d0.60(37.50%)	0.000280589	1.772795410 Hartree
416	RY*(4)C16 s(0.00%)p1.00(32.98%)d2.03(67.02%)	0.000138303	0.902335255 Hartree
417	RY*(5)C16 s(95.10%)p0.00(0.14%)d0.05(4.76%)	0.000095310	1.135828093 Hartree
418	RY*(6)C16 s(0.77%)p3.35(2.57%)d99.99(96.66%)	0.000041615	2.346736892 Hartree
419	RY*(7)C16 s(0.00%)p1.00(4.56%)d20.94(95.44%)	0.000014460	4.130415055 Hartree
420	RY*(8)C16 s(99.15%)p0.00(0.06%)d0.01(0.79%)	0.000001150	1.697877508 Hartree
421	RY*(9)C16 s(4.23%)p1.74(7.38%)d20.89(88.39%)	0.000009133	2.170086228 Hartree
422	RY*(10)C16 s(0.57%)p0.35(0.20%)d99.99(99.24%)	0.000009181	2.311063941 Hartree
423	RY*(1)C17 s(0.36%)p99.99(92.78%)d18.78(6.85%)	0.002333184	1.253219077 Hartree
424	RY*(2)C17 s(0.03%)p99.99(98.54%)d41.43(1.43%)	0.001351019	0.714782786 Hartree
425	RY*(3)C17 s(0.00%)p1.00(44.70%)d1.24(55.30%)	0.000158204	0.737565157 Hartree
426	RY*(4)C17 s(0.00%)p1.00(50.99%)d0.96(49.01%)	0.000155773	1.925666004 Hartree
427	RY*(5)C17 s(96.05%)p0.00(0.06%)d0.04(3.90%)	0.000103350	1.105059700 Hartree
428	RY*(6)C17 s(0.15%)p10.01(1.46%)d99.99(98.40%)	0.000044262	2.330465791 Hartree
429	RY*(7)C17 s(0.00%)p1.00(4.36%)d21.92(95.64%)	0.000012140	4.138164700 Hartree
430	RY*(8)C17 s(99.97%)p0.00(0.01%)d0.00(0.02%)	0.000011519	2.267673937 Hartree
431	RY*(9)C17 s(3.13%)p2.30(7.20%)d28.69(89.68%)	0.000007803	2.153153942 Hartree
432	RY*(10)C17 s(0.36%)p0.14(0.05%)d99.99(99.59%)	0.000000111	1.675716921 Hartree
433	RY*(1)C18 s(0.34%)p99.99(91.99%)d22.27(7.67%)	0.002220055	1.263761973 Hartree
434	RY*(2)C18 s(0.00%)p1.00(98.19%)d0.02(1.81%)	0.001213585	0.716109573 Hartree
435	RY*(3)C18 s(0.00%)p1.00(94.07%)d0.06(5.93%)	0.000269230	1.935907972 Hartree
436	RY*(4)C18 s(0.00%)p1.00(0.19%)d99.99(99.81%)	0.000098476	0.756324035 Hartree
437	RY*(5)C18 s(94.01%)p0.00(0.04%)d0.06(5.95%)	0.000098611	1.082109262 Hartree
438	RY*(6)C18 s(0.03%)p56.96(1.86%)d99.99(98.11%)	0.000046438	2.332090940 Hartree
439	RY*(7)C18 s(52.99%)p0.00(0.06%)d0.89(46.95%)	0.000012001	4.165423488 Hartree
440	RY*(8)C18 s(0.00%)p1.00(5.75%)d16.38(94.25%)	0.000000108	1.678340197 Hartree
441	RY*(9)C18 s(5.20%)p1.53(7.96%)d16.70(86.84%)	0.000006295	2.136013460 Hartree
442	RY*(10)C18 s(47.46%)p0.00(0.01%)d1.11(52.53%)	0.000008479	2.288356847 Hartree
443	RY*(1)C19 s(0.46%)p99.99(92.87%)d14.41(6.66%)	0.002399170	1.250520680 Hartree
444	RY*(2)C19 s(0.14%)p99.99(98.48%)d9.92(1.38%)	0.001375769	0.712956440 Hartree
445	RY*(3)C19 s(0.00%)p1.00(8.52%)d10.74(91.48%)	0.000165032	0.763399930 Hartree
446	RY*(4)C19 s(0.00%)p1.00(81.61%)d0.23(18.39%)	0.000148446	1.888528561 Hartree
447	RY*(5)C19 s(95.55%)p0.00(0.14%)d0.05(4.31%)	0.000116240	1.155574914 Hartree
448	RY*(6)C19 s(1.24%)p1.20(1.48%)d78.74(97.29%)	0.000043964	2.317608231 Hartree
449	RY*(7)C19 s(99.99%)p0.00(0.01%)d0.00(0.01%)	0.000011439	4.102424632 Hartree
450	RY*(8)C19 s(0.00%)p1.00(9.95%)d9.05(90.05%)	0.000012380	2.260864085 Hartree
451	RY*(9)C19 s(2.46%)p2.87(7.07%)d36.73(90.47%)	0.000007994	2.165450775 Hartree
452	RY*(10)C19 s(0.21%)p0.23(0.05%)d99.99(99.74%)	0.000000637	1.681362488 Hartree
453	RY*(1)C20 s(0.12%)p99.99(92.18%)d63.80(7.70%)	0.002055451	1.281274579 Hartree
454	RY*(2)C20 s(0.00%)p1.00(89.23%)d0.12(10.77%)	0.001123176	0.865251007 Hartree
455	RY*(3)C20 s(0.29%)p99.99(97.30%)d8.19(2.40%)	0.000289189	1.917050607 Hartree
456	RY*(4)C20 s(0.00%)p1.00(7.83%)d11.78(92.17%)	0.000142323	0.787483082 Hartree
457	RY*(5)C20 s(97.03%)p0.01(0.49%)d0.03(2.48%)	0.000118010	1.061804325 Hartree
458	RY*(6)C20 s(2.58%)p0.93(2.39%)d36.89(95.04%)	0.000045178	2.365386230 Hartree
459	RY*(7)C20 s(1.23%)p5.91(7.28%)d74.29(91.49%)	0.000014803	4.192564613 Hartree
460	RY*(8)C20 s(98.35%)p0.00(0.07%)d0.02(1.58%)	0.000022447	2.227569118 Hartree
461	RY*(9)C20 s(0.00%)p1.00(2.97%)d32.62(97.03%)	0.000000259	1.679118159 Hartree
462	RY*(10)C20 s(0.44%)p0.82(0.36%)d99.99(99.19%)	0.000007856	2.307943222 Hartree
463	RY*(1)H21 s(100.00%)	0.000454765	0.667928730 Hartree
464	RY*(1)H22 s(100.00%)	0.000386364	0.562925235 Hartree
465	RY*(1)H23 s(100.00%)	0.000403706	0.566774124 Hartree
466	RY*(1)H24 s(100.00%)	0.000385573	0.564604026 Hartree
467	RY*(1)H25 s(100.00%)	0.000473564	0.575043010 Hartree
468	RY*(1)H26 s(100.00%)	0.000551155	0.703209651 Hartree

Natural Bond Orbitals

Display Range		- / 468
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	BD(1)C1-C2	1, 2	0.992171108	-0.768327989 Hartree
2	BD(1)C1-C15	3, 4	0.987251116	-0.600210985 Hartree
3	BD(1)C1-H26	5, 6	0.988801073	-0.526028911 Hartree
4	BD(1)C2-C3	7, 8	0.987251116	-0.600210985 Hartree
5	BD(1)C2-H14	9, 10	0.988801073	-0.526028911 Hartree
6	BD(1)C3-C4	11, 12	0.990285097	-0.679150211 Hartree
7	BD(2)C3-C4	13, 14	0.815055610	-0.243081620 Hartree
8	BD(1)C3-C8	15, 16	0.989518320	-0.679585589 Hartree
9	BD(1)C4-C5	17, 18	0.991194481	-0.668610750 Hartree
10	BD(1)C4-H13	19, 20	0.991703318	-0.519316849 Hartree
11	BD(1)C5-C6	21, 22	0.991940141	-0.673253083 Hartree
12	BD(2)C5-C6	23, 24	0.853094917	-0.245180743 Hartree
13	BD(1)C5-H12	25, 26	0.992422346	-0.517763007 Hartree
14	BD(1)C6-C7	27, 28	0.991856843	-0.672691632 Hartree
15	BD(1)C6-H11	29, 30	0.992288065	-0.520464620 Hartree
16	BD(1)C7-C8	31, 32	0.990862890	-0.669827166 Hartree
17	BD(2)C7-C8	33, 34	0.891727574	-0.245486299 Hartree
18	BD(1)C7-H10	35, 36	0.992449359	-0.518299691 Hartree
19	BD(1)C8-H9	37, 38	0.990150162	-0.522865573 Hartree
20	BD(1)C15-C16	39, 40	0.990285097	-0.679150212 Hartree
21	BD(1)C15-C20	41, 42	0.989518320	-0.679585589 Hartree
22	BD(2)C15-C20	43, 44	0.822426330	-0.246129456 Hartree
23	BD(1)C16-C17	45, 46	0.991194481	-0.668610750 Hartree
24	BD(2)C16-C17	47, 48	0.893165305	-0.244874574 Hartree
25	BD(1)C16-H25	49, 50	0.991703317	-0.519316849 Hartree
26	BD(1)C17-C18	51, 52	0.991940141	-0.673253083 Hartree
27	BD(1)C17-H24	53, 54	0.992422346	-0.517763007 Hartree
28	BD(1)C18-C19	55, 56	0.991856843	-0.672691632 Hartree
29	BD(2)C18-C19	57, 58	0.868027213	-0.245216260 Hartree
30	BD(1)C18-H23	59, 60	0.992288065	-0.520464620 Hartree
31	BD(1)C19-C20	61, 62	0.990862890	-0.669827166 Hartree
32	BD(1)C19-H22	63, 64	0.992449359	-0.518299691 Hartree
33	BD(1)C20-H21	65, 66	0.990150162	-0.522865573 Hartree
34	CR(1)C1	67	0.999467049	-10.046929306 Hartree
35	CR(1)C2	68	0.999467049	-10.046929306 Hartree
36	CR(1)C3	69	0.999525359	-10.067283265 Hartree
37	CR(1)C4	70	0.999540854	-10.054481572 Hartree
38	CR(1)C5	71	0.999585771	-10.057616152 Hartree
39	CR(1)C6	72	0.999576425	-10.058181562 Hartree
40	CR(1)C7	73	0.999585029	-10.058681089 Hartree
41	CR(1)C8	74	0.999537630	-10.053225284 Hartree
42	CR(1)C15	75	0.999525359	-10.067283265 Hartree
43	CR(1)C16	76	0.999540854	-10.054481572 Hartree
44	CR(1)C17	77	0.999585771	-10.057616152 Hartree
45	CR(1)C18	78	0.999576425	-10.058181562 Hartree
46	CR(1)C19	79	0.999585029	-10.058681089 Hartree
47	CR(1)C20	80	0.999537630	-10.053225284 Hartree
48	LP(1)C1	81	0.711518682	-0.150546585 Hartree
49	LP(1)C2	82	0.711518682	-0.150546585 Hartree
50	RY*(1)C1	83	0.003274314	0.780549251 Hartree
51	RY*(2)C1	84	0.002200893	1.205846555 Hartree
52	RY*(3)C1	85	0.001512230	0.956910322 Hartree
53	RY*(4)C1	86	0.000258746	1.767506285 Hartree
54	RY*(5)C1	87	0.000150641	1.220673969 Hartree
55	RY*(6)C1	88	0.000038810	2.783519713 Hartree
56	RY*(7)C1	89	0.000038042	2.246331617 Hartree
57	RY*(8)C1	90	0.000005155	3.491644039 Hartree
58	RY*(9)C1	91	0.000007443	1.774989064 Hartree
59	RY*(10)C1	92	0.000005707	2.421576149 Hartree
60	RY*(1)C2	93	0.003274314	0.780549251 Hartree
61	RY*(2)C2	94	0.002200893	1.205846555 Hartree
62	RY*(3)C2	95	0.001512230	0.956910322 Hartree
63	RY*(4)C2	96	0.000258746	1.767506285 Hartree
64	RY*(5)C2	97	0.000150641	1.220673969 Hartree
65	RY*(6)C2	98	0.000038810	2.783519712 Hartree
66	RY*(7)C2	99	0.000038042	2.246331617 Hartree
67	RY*(8)C2	100	0.000005155	3.491644039 Hartree
68	RY*(9)C2	101	0.000007443	1.774989064 Hartree
69	RY*(10)C2	102	0.000005707	2.421576149 Hartree
70	RY*(1)C3	103	0.003321809	1.172224211 Hartree
71	RY*(2)C3	104	0.002625007	1.277020876 Hartree
72	RY*(3)C3	105	0.001199636	1.191725100 Hartree
73	RY*(4)C3	106	0.000377962	1.830126370 Hartree
74	RY*(5)C3	107	0.000280159	1.453276859 Hartree
75	RY*(6)C3	108	0.000196454	1.063764732 Hartree
76	RY*(7)C3	109	0.000062874	2.405072314 Hartree
77	RY*(8)C3	110	0.000024802	3.611896789 Hartree
78	RY*(9)C3	111	0.000032621	2.309662077 Hartree
79	RY*(10)C3	112	0.000003444	2.898632328 Hartree
80	RY*(1)C4	113	0.002289890	1.274972217 Hartree
81	RY*(2)C4	114	0.001109612	0.770213756 Hartree
82	RY*(3)C4	115	0.000749182	1.150075799 Hartree
83	RY*(4)C4	116	0.000192842	1.430603472 Hartree
84	RY*(5)C4	117	0.000094180	1.103449154 Hartree
85	RY*(6)C4	118	0.000040269	2.347924938 Hartree
86	RY*(7)C4	119	0.000007999	1.757287735 Hartree
87	RY*(8)C4	120	0.000015232	4.145232157 Hartree
88	RY*(9)C4	121	0.000008635	2.169821499 Hartree
89	RY*(10)C4	122	0.000010037	2.295838277 Hartree
90	RY*(1)C5	123	0.002373436	1.249209865 Hartree
91	RY*(2)C5	124	0.001374828	0.711629241 Hartree
92	RY*(3)C5	125	0.001031823	1.347100283 Hartree
93	RY*(4)C5	126	0.000209157	1.240449511 Hartree
94	RY*(5)C5	127	0.000102955	1.092512528 Hartree
95	RY*(6)C5	128	0.000043926	2.334536783 Hartree
96	RY*(7)C5	129	0.000005208	1.757321884 Hartree
97	RY*(8)C5	130	0.000012157	4.153532578 Hartree
98	RY*(9)C5	131	0.000007276	2.153099062 Hartree
99	RY*(10)C5	132	0.000008152	2.278375659 Hartree
100	RY*(1)C6	133	0.002220307	1.262355665 Hartree
101	RY*(2)C6	134	0.001177871	0.716553891 Hartree
102	RY*(3)C6	135	0.001024192	0.686369404 Hartree
103	RY*(4)C6	136	0.000243223	1.894275059 Hartree
104	RY*(5)C6	137	0.000094448	1.064906124 Hartree
105	RY*(6)C6	138	0.000046313	2.325872734 Hartree
106	RY*(7)C6	139	0.000024363	3.361147144 Hartree
107	RY*(8)C6	140	0.000002565	1.732515539 Hartree
108	RY*(9)C6	141	0.000005417	2.081289753 Hartree
109	RY*(10)C6	142	0.000001689	3.111468617 Hartree
110	RY*(1)C7	143	0.002446537	1.246340193 Hartree
111	RY*(2)C7	144	0.001402196	0.709954965 Hartree
112	RY*(3)C7	145	0.000630156	1.866181955 Hartree
113	RY*(4)C7	146	0.000158460	0.778746150 Hartree
114	RY*(5)C7	147	0.000116036	1.140788752 Hartree
115	RY*(6)C7	148	0.000043478	2.321272338 Hartree
116	RY*(7)C7	149	0.000011272	4.117717697 Hartree
117	RY*(8)C7	150	0.000001828	1.703990385 Hartree
118	RY*(9)C7	151	0.000007511	2.169298654 Hartree
119	RY*(10)C7	152	0.000008200	2.279517902 Hartree
120	RY*(1)C8	153	0.002053919	1.284056330 Hartree
121	RY*(2)C8	154	0.001266153	0.709363774 Hartree
122	RY*(3)C8	155	0.001129854	0.859329442 Hartree
123	RY*(4)C8	156	0.000212384	1.857345234 Hartree
124	RY*(5)C8	157	0.000117319	1.039798544 Hartree
125	RY*(6)C8	158	0.000043272	2.378431956 Hartree
126	RY*(7)C8	159	0.000020733	2.233476338 Hartree
127	RY*(8)C8	160	0.000015523	4.181477003 Hartree
128	RY*(9)C8	161	0.000010358	1.771609186 Hartree
129	RY*(10)C8	162	0.000009295	2.276525206 Hartree
130	RY*(1)H9	163	0.000432435	0.667564730 Hartree
131	RY*(1)H10	164	0.000390127	0.563180385 Hartree
132	RY*(1)H11	165	0.000377543	0.566010352 Hartree
133	RY*(1)H12	166	0.000387184	0.564742594 Hartree
134	RY*(1)H13	167	0.000448260	0.574598940 Hartree
135	RY*(1)H14	168	0.000522078	0.702633597 Hartree
136	RY*(1)C15	169	0.003321809	1.172224211 Hartree
137	RY*(2)C15	170	0.002625007	1.277020876 Hartree
138	RY*(3)C15	171	0.001346709	1.242660307 Hartree
139	RY*(4)C15	172	0.000348197	1.896952281 Hartree
140	RY*(5)C15	173	0.000294105	1.335011891 Hartree
141	RY*(6)C15	174	0.000196454	1.063764732 Hartree
142	RY*(7)C15	175	0.000062874	2.405072314 Hartree
143	RY*(8)C15	176	0.000024802	3.611896789 Hartree
144	RY*(9)C15	177	0.000032621	2.309662077 Hartree
145	RY*(10)C15	178	0.000003444	2.898632329 Hartree
146	RY*(1)C16	179	0.002289890	1.274972217 Hartree
147	RY*(2)C16	180	0.001109612	0.770213756 Hartree
148	RY*(3)C16	181	0.000599373	1.100690376 Hartree
149	RY*(4)C16	182	0.000209704	1.479947513 Hartree
150	RY*(5)C16	183	0.000094180	1.103449154 Hartree
151	RY*(6)C16	184	0.000040269	2.347924938 Hartree
152	RY*(7)C16	185	0.000008000	1.758190236 Hartree
153	RY*(8)C16	186	0.000015232	4.145232156 Hartree
154	RY*(9)C16	187	0.000008635	2.169821499 Hartree
155	RY*(10)C16	188	0.000010037	2.295838277 Hartree
156	RY*(1)C17	189	0.002373436	1.249209865 Hartree
157	RY*(2)C17	190	0.001374828	0.711629241 Hartree
158	RY*(3)C17	191	0.000769567	1.341130121 Hartree
159	RY*(4)C17	192	0.000230506	1.247528275 Hartree
160	RY*(5)C17	193	0.000102955	1.092512528 Hartree
161	RY*(6)C17	194	0.000043926	2.334536783 Hartree
162	RY*(7)C17	195	0.000005139	1.758300926 Hartree
163	RY*(8)C17	196	0.000012157	4.153532579 Hartree
164	RY*(9)C17	197	0.000007276	2.153099062 Hartree
165	RY*(10)C17	198	0.000008152	2.278375659 Hartree
166	RY*(1)C18	199	0.002220307	1.262355665 Hartree
167	RY*(2)C18	200	0.001177871	0.716553891 Hartree
168	RY*(3)C18	201	0.000983241	0.667820525 Hartree
169	RY*(4)C18	202	0.000246047	1.913026074 Hartree
170	RY*(5)C18	203	0.000094448	1.064906124 Hartree
171	RY*(6)C18	204	0.000046313	2.325872734 Hartree
172	RY*(7)C18	205	0.000024363	3.361147144 Hartree
173	RY*(8)C18	206	0.000002564	1.732565288 Hartree
174	RY*(9)C18	207	0.000005418	2.081188222 Hartree
175	RY*(10)C18	208	0.000001689	3.111570148 Hartree
176	RY*(1)C19	209	0.002446537	1.246340193 Hartree
177	RY*(2)C19	210	0.001402196	0.709954965 Hartree
178	RY*(3)C19	211	0.000723182	1.816600861 Hartree
179	RY*(4)C19	212	0.000151300	0.828972112 Hartree
180	RY*(5)C19	213	0.000116036	1.140788752 Hartree
181	RY*(6)C19	214	0.000043478	2.321272338 Hartree
182	RY*(7)C19	215	0.000011272	4.117717697 Hartree
183	RY*(8)C19	216	0.000001839	1.702410883 Hartree
184	RY*(9)C19	217	0.000007511	2.169298654 Hartree
185	RY*(10)C19	218	0.000008200	2.279517902 Hartree
186	RY*(1)C20	219	0.002053919	1.284056330 Hartree
187	RY*(2)C20	220	0.001482659	0.747703869 Hartree
188	RY*(3)C20	221	0.001129854	0.859329442 Hartree
189	RY*(4)C20	222	0.000207232	1.818168823 Hartree
190	RY*(5)C20	223	0.000117319	1.039798544 Hartree
191	RY*(6)C20	224	0.000043272	2.378431956 Hartree
192	RY*(7)C20	225	0.000020733	2.233476338 Hartree
193	RY*(8)C20	226	0.000015523	4.181477003 Hartree
194	RY*(9)C20	227	0.000010379	1.771253096 Hartree
195	RY*(10)C20	228	0.000009295	2.276525207 Hartree
196	RY*(1)H21	229	0.000432435	0.667564730 Hartree
197	RY*(1)H22	230	0.000390127	0.563180385 Hartree
198	RY*(1)H23	231	0.000377543	0.566010352 Hartree
199	RY*(1)H24	232	0.000387184	0.564742594 Hartree
200	RY*(1)H25	233	0.000448260	0.574598940 Hartree
201	RY*(1)H26	234	0.000522078	0.702633597 Hartree
202	BD*(1)C1-C2		0.004264589	0.709547840 Hartree
203	BD*(1)C1-C15		0.012501405	0.414870129 Hartree
204	BD*(1)C1-H26		0.008865530	0.466851999 Hartree
205	BD*(1)C2-C3		0.012501405	0.414870129 Hartree
206	BD*(1)C2-H14		0.008865530	0.466851999 Hartree
207	BD*(1)C3-C4		0.008611749	0.546813546 Hartree
208	BD*(2)C3-C4		0.291023942	0.019711924 Hartree
209	BD*(1)C3-C8		0.009524294	0.545711105 Hartree
210	BD*(1)C4-C5		0.006234959	0.545108911 Hartree
211	BD*(1)C4-H13		0.005376448	0.468654202 Hartree
212	BD*(1)C5-C6		0.006577999	0.541953444 Hartree
213	BD*(2)C5-C6		0.254963477	0.016743415 Hartree
214	BD*(1)C5-H12		0.005180172	0.475189708 Hartree
215	BD*(1)C6-C7		0.006603750	0.542077512 Hartree
216	BD*(1)C6-H11		0.005112534	0.472025864 Hartree
217	BD*(1)C7-C8		0.006479067	0.547879797 Hartree
218	BD*(2)C7-C8		0.171472008	0.023738143 Hartree
219	BD*(1)C7-H10		0.005211740	0.474578132 Hartree
220	BD*(1)C8-H9		0.006698920	0.471952466 Hartree
221	BD*(1)C15-C16		0.008611749	0.546813546 Hartree
222	BD*(1)C15-C20		0.009524294	0.545711105 Hartree
223	BD*(2)C15-C20		0.323382948	0.015763709 Hartree
224	BD*(1)C16-C17		0.006234959	0.545108911 Hartree
225	BD*(2)C16-C17		0.154592483	0.026278125 Hartree
226	BD*(1)C16-H25		0.005376448	0.468654202 Hartree
227	BD*(1)C17-C18		0.006577999	0.541953444 Hartree
228	BD*(1)C17-H24		0.005180172	0.475189708 Hartree
229	BD*(1)C18-C19		0.006603750	0.542077512 Hartree
230	BD*(2)C18-C19		0.215726792	0.020053519 Hartree
231	BD*(1)C18-H23		0.005112534	0.472025864 Hartree
232	BD*(1)C19-C20		0.006479067	0.547879797 Hartree
233	BD*(1)C19-H22		0.005211740	0.474578132 Hartree
234	BD*(1)C20-H21		0.006698920	0.471952466 Hartree
235	BD(1)C1-C2	235, 236	0.991405811	-0.748619975 Hartree
236	BD(1)C1-C15	237, 238	0.986562342	-0.588886371 Hartree
237	BD(1)C1-H26	239, 240	0.988580021	-0.516461567 Hartree
238	BD(1)C2-C3	241, 242	0.986562342	-0.588886371 Hartree
239	BD(1)C2-H14	243, 244	0.988580021	-0.516461567 Hartree
240	BD(1)C3-C4	245, 246	0.989967028	-0.673943634 Hartree
241	BD(2)C3-C4	247, 248	0.989180613	-0.673619761 Hartree
242	BD(1)C3-C8	249, 250	0.991217550	-0.665733711 Hartree
243	BD(1)C4-C5	251, 252	0.838565410	-0.233145291 Hartree
244	BD(1)C4-H13	253, 254	0.991814476	-0.516238327 Hartree
245	BD(1)C5-C6	255, 256	0.991750405	-0.668959235 Hartree
246	BD(2)C5-C6	257, 258	0.992414003	-0.518420943 Hartree
247	BD(1)C5-H12	259, 260	0.991702322	-0.668654007 Hartree
248	BD(1)C6-C7	261, 262	0.992278205	-0.514855504 Hartree
249	BD(1)C6-H11	263, 264	0.990889901	-0.667003364 Hartree
250	BD(1)C7-C8	265, 266	0.834032660	-0.233203592 Hartree
251	BD(2)C7-C8	267, 268	0.992467300	-0.519807675 Hartree
252	BD(1)C7-H10	269, 270	0.990211197	-0.518572879 Hartree
253	BD(1)C8-H9	271, 272	0.989967028	-0.673943634 Hartree
254	BD(1)C15-C16	273, 274	0.989180613	-0.673619761 Hartree
255	BD(1)C15-C20	275, 276	0.991217550	-0.665733711 Hartree
256	BD(2)C15-C20	277, 278	0.838565410	-0.233145291 Hartree
257	BD(1)C16-C17	279, 280	0.991814476	-0.516238327 Hartree
258	BD(2)C16-C17	281, 282	0.991750405	-0.668959235 Hartree
259	BD(1)C16-H25	283, 284	0.992414003	-0.518420943 Hartree
260	BD(1)C17-C18	285, 286	0.991702322	-0.668654007 Hartree
261	BD(1)C17-H24	287, 288	0.992278205	-0.514855504 Hartree
262	BD(1)C18-C19	289, 290	0.990889901	-0.667003364 Hartree
263	BD(2)C18-C19	291, 292	0.834032660	-0.233203592 Hartree
264	BD(1)C18-H23	293, 294	0.992467300	-0.519807675 Hartree
265	BD(1)C19-C20	295, 296	0.990211197	-0.518572879 Hartree
266	BD(1)C19-H22	297, 298	0.999446741	-10.040911972 Hartree
267	BD(1)C20-H21	299, 300	0.999446741	-10.040911972 Hartree
268	CR(1)C1	301	0.999530159	-10.066670676 Hartree
269	CR(1)C2	302	0.999539098	-10.052239716 Hartree
270	CR(1)C3	303	0.999585223	-10.058525813 Hartree
271	CR(1)C4	304	0.999573928	-10.054321975 Hartree
272	CR(1)C5	305	0.999584744	-10.060182221 Hartree
273	CR(1)C6	306	0.999534935	-10.050197499 Hartree
274	CR(1)C7	307	0.999530159	-10.066670676 Hartree
275	CR(1)C8	308	0.999539098	-10.052239716 Hartree
276	CR(1)C15	309	0.999585223	-10.058525813 Hartree
277	CR(1)C16	310	0.999573928	-10.054321975 Hartree
278	CR(1)C17	311	0.999584744	-10.060182221 Hartree
279	CR(1)C18	312	0.999534935	-10.050197499 Hartree
280	CR(1)C19	313	0.280830152	-0.057194948 Hartree
281	CR(1)C20	314	0.280830152	-0.057194948 Hartree
282	LP(1)C1	315	0.465330839	-0.090381324 Hartree
283	LP(1)C2	316	0.368843500	-0.075809013 Hartree
284	RY*(1)C1	317	0.465330839	-0.090381324 Hartree
285	RY*(2)C1	318	0.368843500	-0.075809013 Hartree
286	RY*(3)C1	319	0.002169743	1.199007626 Hartree
287	RY*(4)C1	320	0.001462843	0.985611585 Hartree
288	RY*(5)C1	321	0.000158941	1.271725414 Hartree
289	RY*(6)C1	322	0.000137498	1.936812789 Hartree
290	RY*(7)C1	323	0.000063691	0.642022055 Hartree
291	RY*(8)C1	324	0.000029650	2.801508925 Hartree
292	RY*(9)C1	325	0.000039107	2.243390773 Hartree
293	RY*(10)C1	326	0.000005559	3.533596156 Hartree
294	RY*(1)C2	327	0.000004034	1.841554148 Hartree
295	RY*(2)C2	328	0.000008092	2.392579007 Hartree
296	RY*(3)C2	329	0.002169743	1.199007626 Hartree
297	RY*(4)C2	330	0.001462843	0.985611585 Hartree
298	RY*(5)C2	331	0.000158941	1.271725414 Hartree
299	RY*(6)C2	332	0.000137498	1.936812789 Hartree
300	RY*(7)C2	333	0.000063691	0.642022055 Hartree
301	RY*(8)C2	334	0.000029650	2.801508926 Hartree
302	RY*(9)C2	335	0.000039107	2.243390773 Hartree
303	RY*(10)C2	336	0.000005559	3.533596155 Hartree
304	RY*(1)C3	337	0.000004034	1.841554148 Hartree
305	RY*(2)C3	338	0.000008092	2.392579007 Hartree
306	RY*(3)C3	339	0.003184117	1.178334901 Hartree
307	RY*(4)C3	340	0.002635405	1.285206540 Hartree
308	RY*(5)C3	341	0.000243811	1.914318925 Hartree
309	RY*(6)C3	342	0.000201578	1.091534840 Hartree
310	RY*(7)C3	343	0.000142390	1.209447979 Hartree
311	RY*(8)C3	344	0.000062211	2.391941588 Hartree
312	RY*(9)C3	345	0.000056593	1.372979457 Hartree
313	RY*(10)C3	346	0.000027501	3.450968237 Hartree
314	RY*(1)C4	347	0.000034507	2.302906686 Hartree
315	RY*(2)C4	348	0.000004115	3.056096707 Hartree
316	RY*(3)C4	349	0.002287773	1.276972446 Hartree
317	RY*(4)C4	350	0.001118088	0.772099347 Hartree
318	RY*(5)C4	351	0.000280589	1.772795410 Hartree
319	RY*(6)C4	352	0.000138303	0.902335255 Hartree
320	RY*(7)C4	353	0.000095310	1.135828093 Hartree
321	RY*(8)C4	354	0.000041615	2.346736892 Hartree
322	RY*(9)C4	355	0.000014460	4.130415055 Hartree
323	RY*(10)C4	356	0.000001150	1.697877508 Hartree
324	RY*(1)C5	357	0.000009133	2.170086228 Hartree
325	RY*(2)C5	358	0.000009181	2.311063941 Hartree
326	RY*(3)C5	359	0.002333184	1.253219077 Hartree
327	RY*(4)C5	360	0.001351019	0.714782786 Hartree
328	RY*(5)C5	361	0.000158204	0.737565157 Hartree
329	RY*(6)C5	362	0.000155773	1.925666004 Hartree
330	RY*(7)C5	363	0.000103350	1.105059700 Hartree
331	RY*(8)C5	364	0.000044262	2.330465791 Hartree
332	RY*(9)C5	365	0.000012140	4.138164700 Hartree
333	RY*(10)C5	366	0.000011519	2.267673937 Hartree
334	RY*(1)C6	367	0.000007803	2.153153942 Hartree
335	RY*(2)C6	368	0.000000111	1.675716921 Hartree
336	RY*(3)C6	369	0.002220055	1.263761973 Hartree
337	RY*(4)C6	370	0.001213585	0.716109573 Hartree
338	RY*(5)C6	371	0.000269230	1.935907972 Hartree
339	RY*(6)C6	372	0.000098476	0.756324035 Hartree
340	RY*(7)C6	373	0.000098611	1.082109262 Hartree
341	RY*(8)C6	374	0.000046438	2.332090940 Hartree
342	RY*(9)C6	375	0.000012001	4.165423488 Hartree
343	RY*(10)C6	376	0.000000108	1.678340197 Hartree
344	RY*(1)C7	377	0.000006295	2.136013460 Hartree
345	RY*(2)C7	378	0.000008479	2.288356846 Hartree
346	RY*(3)C7	379	0.002399170	1.250520680 Hartree
347	RY*(4)C7	380	0.001375769	0.712956440 Hartree
348	RY*(5)C7	381	0.000165032	0.763399930 Hartree
349	RY*(6)C7	382	0.000148446	1.888528561 Hartree
350	RY*(7)C7	383	0.000116240	1.155574914 Hartree
351	RY*(8)C7	384	0.000043964	2.317608231 Hartree
352	RY*(9)C7	385	0.000011439	4.102424632 Hartree
353	RY*(10)C7	386	0.000012380	2.260864085 Hartree
354	RY*(1)C8	387	0.000007994	2.165450775 Hartree
355	RY*(2)C8	388	0.000000637	1.681362488 Hartree
356	RY*(3)C8	389	0.002055451	1.281274579 Hartree
357	RY*(4)C8	390	0.001123176	0.865251007 Hartree
358	RY*(5)C8	391	0.000289189	1.917050607 Hartree
359	RY*(6)C8	392	0.000142323	0.787483082 Hartree
360	RY*(7)C8	393	0.000118010	1.061804325 Hartree
361	RY*(8)C8	394	0.000045178	2.365386230 Hartree
362	RY*(9)C8	395	0.000014803	4.192564613 Hartree
363	RY*(10)C8	396	0.000022447	2.227569118 Hartree
364	RY*(1)H9	397	0.000000259	1.679118159 Hartree
365	RY*(1)H10	398	0.000007856	2.307943222 Hartree
366	RY*(1)H11	399	0.000454765	0.667928730 Hartree
367	RY*(1)H12	400	0.000386364	0.562925235 Hartree
368	RY*(1)H13	401	0.000403706	0.566774124 Hartree
369	RY*(1)H14	402	0.000385573	0.564604026 Hartree
370	RY*(1)C15	403	0.000473564	0.575043010 Hartree
371	RY*(2)C15	404	0.000551155	0.703209651 Hartree
372	RY*(3)C15	405	0.003184117	1.178334901 Hartree
373	RY*(4)C15	406	0.002635405	1.285206540 Hartree
374	RY*(5)C15	407	0.000243811	1.914318925 Hartree
375	RY*(6)C15	408	0.000201578	1.091534840 Hartree
376	RY*(7)C15	409	0.000142390	1.209447979 Hartree
377	RY*(8)C15	410	0.000062211	2.391941588 Hartree
378	RY*(9)C15	411	0.000056593	1.372979457 Hartree
379	RY*(10)C15	412	0.000027501	3.450968236 Hartree
380	RY*(1)C16	413	0.000034507	2.302906686 Hartree
381	RY*(2)C16	414	0.000004115	3.056096707 Hartree
382	RY*(3)C16	415	0.002287773	1.276972446 Hartree
383	RY*(4)C16	416	0.001118088	0.772099347 Hartree
384	RY*(5)C16	417	0.000280589	1.772795410 Hartree
385	RY*(6)C16	418	0.000138303	0.902335255 Hartree
386	RY*(7)C16	419	0.000095310	1.135828093 Hartree
387	RY*(8)C16	420	0.000041615	2.346736892 Hartree
388	RY*(9)C16	421	0.000014460	4.130415055 Hartree
389	RY*(10)C16	422	0.000001150	1.697877508 Hartree
390	RY*(1)C17	423	0.000009133	2.170086228 Hartree
391	RY*(2)C17	424	0.000009181	2.311063941 Hartree
392	RY*(3)C17	425	0.002333184	1.253219077 Hartree
393	RY*(4)C17	426	0.001351019	0.714782786 Hartree
394	RY*(5)C17	427	0.000158204	0.737565157 Hartree
395	RY*(6)C17	428	0.000155773	1.925666004 Hartree
396	RY*(7)C17	429	0.000103350	1.105059700 Hartree
397	RY*(8)C17	430	0.000044262	2.330465791 Hartree
398	RY*(9)C17	431	0.000012140	4.138164700 Hartree
399	RY*(10)C17	432	0.000011519	2.267673937 Hartree
400	RY*(1)C18	433	0.000007803	2.153153942 Hartree
401	RY*(2)C18	434	0.000000111	1.675716921 Hartree
402	RY*(3)C18	435	0.002220055	1.263761973 Hartree
403	RY*(4)C18	436	0.001213585	0.716109573 Hartree
404	RY*(5)C18	437	0.000269230	1.935907972 Hartree
405	RY*(6)C18	438	0.000098476	0.756324035 Hartree
406	RY*(7)C18	439	0.000098611	1.082109262 Hartree
407	RY*(8)C18	440	0.000046438	2.332090940 Hartree
408	RY*(9)C18	441	0.000012001	4.165423488 Hartree
409	RY*(10)C18	442	0.000000108	1.678340197 Hartree
410	RY*(1)C19	443	0.000006295	2.136013460 Hartree
411	RY*(2)C19	444	0.000008479	2.288356847 Hartree
412	RY*(3)C19	445	0.002399170	1.250520680 Hartree
413	RY*(4)C19	446	0.001375769	0.712956440 Hartree
414	RY*(5)C19	447	0.000165032	0.763399930 Hartree
415	RY*(6)C19	448	0.000148446	1.888528561 Hartree
416	RY*(7)C19	449	0.000116240	1.155574914 Hartree
417	RY*(8)C19	450	0.000043964	2.317608231 Hartree
418	RY*(9)C19	451	0.000011439	4.102424632 Hartree
419	RY*(10)C19	452	0.000012380	2.260864085 Hartree
420	RY*(1)C20	453	0.000007994	2.165450775 Hartree
421	RY*(2)C20	454	0.000000637	1.681362488 Hartree
422	RY*(3)C20	455	0.002055451	1.281274579 Hartree
423	RY*(4)C20	456	0.001123176	0.865251007 Hartree
424	RY*(5)C20	457	0.000289189	1.917050607 Hartree
425	RY*(6)C20	458	0.000142323	0.787483082 Hartree
426	RY*(7)C20	459	0.000118010	1.061804325 Hartree
427	RY*(8)C20	460	0.000045178	2.365386230 Hartree
428	RY*(9)C20	461	0.000014803	4.192564613 Hartree
429	RY*(10)C20	462	0.000022447	2.227569118 Hartree
430	RY*(1)H21	463	0.000000259	1.679118159 Hartree
431	RY*(1)H22	464	0.000007856	2.307943222 Hartree
432	RY*(1)H23	465	0.000454765	0.667928730 Hartree
433	RY*(1)H24	466	0.000386364	0.562925235 Hartree
434	RY*(1)H25	467	0.000403706	0.566774124 Hartree
435	RY*(1)H26	468	0.000385573	0.564604026 Hartree
436	BD*(1)C1-C2		0.000473564	0.575043010 Hartree
437	BD*(1)C1-C15		0.000551155	0.703209651 Hartree
438	BD*(1)C1-H26		0.004985780	0.732810517 Hartree
439	BD*(1)C2-C3		0.012464460	0.427458722 Hartree
440	BD*(1)C2-H14		0.009091430	0.474101091 Hartree
441	BD*(1)C3-C4		0.012464460	0.427458722 Hartree
442	BD*(2)C3-C4		0.009091430	0.474101091 Hartree
443	BD*(1)C3-C8		0.008811207	0.552489005 Hartree
444	BD*(1)C4-C5		0.009714968	0.552498302 Hartree
445	BD*(1)C4-H13		0.006423782	0.547940818 Hartree
446	BD*(1)C5-C6		0.103741500	0.037637522 Hartree
447	BD*(2)C5-C6		0.005605835	0.470898387 Hartree
448	BD*(1)C5-H12		0.006688984	0.547237761 Hartree
449	BD*(1)C6-C7		0.005165095	0.474402812 Hartree
450	BD*(1)C6-H11		0.006724825	0.546584218 Hartree
451	BD*(1)C7-C8		0.005331745	0.476022421 Hartree
452	BD*(2)C7-C8		0.006671403	0.550937322 Hartree
453	BD*(1)C7-H10		0.106160092	0.037442149 Hartree
454	BD*(1)C8-H9		0.005177322	0.473172204 Hartree
455	BD*(1)C15-C16		0.007026280	0.475272039 Hartree
456	BD*(1)C15-C20		0.008811207	0.552489005 Hartree
457	BD*(2)C15-C20		0.009714968	0.552498302 Hartree
458	BD*(1)C16-C17		0.006423782	0.547940818 Hartree
459	BD*(2)C16-C17		0.103741500	0.037637522 Hartree
460	BD*(1)C16-H25		0.005605835	0.470898387 Hartree
461	BD*(1)C17-C18		0.006688984	0.547237761 Hartree
462	BD*(1)C17-H24		0.005165095	0.474402812 Hartree
463	BD*(1)C18-C19		0.006724825	0.546584218 Hartree
464	BD*(2)C18-C19		0.005331745	0.476022421 Hartree
465	BD*(1)C18-H23		0.006671403	0.550937322 Hartree
466	BD*(1)C19-C20		0.106160092	0.037442149 Hartree
467	BD*(1)C19-H22		0.005177322	0.473172204 Hartree
468	BD*(1)C20-H21		0.007026280	0.475272039 Hartree

Quote

THE ONLY DIFFERENCE BETWEEN ECCENTRICS AND JOGGERS IS THAT JOGGERS WEAR SWEATBANDS WHEN THEY RUN IN THE RAIN.

WebMO Job Summary

611211: C14H12, Natural Bond Orbitals - Gaussian

Calculated Quantities

Overview

Rotational Constants

Molecular Orbitals

Natural Population Analysis

Natural Population Analysis

Natural Atomic Orbitals

Natural Hybrid Orbitals

Natural Bond Orbitals

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