WebMO Job Summary

Overview

Quantity	Value
Route	#N M062X/6-311+G(2d,p) SP GFINPUT POP=(FULL,NBO6Read) Geom=Connectivit
Stoichiometry	C₁₂H₁₀
Symmetry	D2H
Basis	6-311+G(2d,p)
RM062X Energy	-463.227269174 Hartree
Dipole Moment	0.0000 Debye
Server	batch (127468)
CPU time	1357.7 sec

Rotational Constants

Constant	Frequency (GHz)	Frequency (cm^-1)
a	2.9073054	0.09697726952
b	0.5548892	0.01850911139
c	0.4659566	0.01554263917

Partial Charges

Atom	Symbol	Charge
1	C	-0.319883
2	C	-0.155480
3	C	-0.319883
4	C	-0.223347
5	C	0.626841
6	C	-0.223347
7	H	0.123398
8	C	0.626841
9	C	-0.223347
10	C	-0.319883
11	C	-0.155480
12	C	-0.319883
13	C	-0.223347
14	H	0.123398
15	H	0.121868
16	H	0.124566
17	H	0.121868
18	H	0.123398
19	H	0.123398
20	H	0.121868
21	H	0.124566
22	H	0.121868

Molecular Orbitals

Display Range		- / 380
Orbital	Symmetry	Occupancy	Energy	Actions
1	AG	2	-10.55882 Hartree
2	B1U	2	-10.55836 Hartree
3	B1U	2	-10.54447 Hartree
4	AG	2	-10.54446 Hartree
5	B3G	2	-10.54441 Hartree
6	B2U	2	-10.54439 Hartree
7	B1U	2	-10.54374 Hartree
8	AG	2	-10.54373 Hartree
9	B3G	2	-10.54355 Hartree
10	B2U	2	-10.54354 Hartree
11	B1U	2	-10.54265 Hartree
12	AG	2	-10.54265 Hartree
13	AG	2	-0.98087 Hartree
14	B1U	2	-0.95785 Hartree
15	AG	2	-0.88093 Hartree
16	B2U	2	-0.85373 Hartree
17	B3G	2	-0.84302 Hartree
18	B1U	2	-0.82033 Hartree
19	AG	2	-0.71470 Hartree
20	B2U	2	-0.71070 Hartree
21	B3G	2	-0.67181 Hartree
22	B1U	2	-0.66422 Hartree
23	AG	2	-0.61840 Hartree
24	B1U	2	-0.57526 Hartree
25	AG	2	-0.55062 Hartree
26	B2U	2	-0.54006 Hartree
27	B1U	2	-0.51040 Hartree
28	B2U	2	-0.50048 Hartree
29	B3G	2	-0.49942 Hartree
30	AG	2	-0.49387 Hartree
31	B3G	2	-0.47951 Hartree
32	B3U	2	-0.46396 Hartree
33	B2G	2	-0.43239 Hartree
34	B1U	2	-0.42658 Hartree
35	B2U	2	-0.42003 Hartree
36	AG	2	-0.40117 Hartree
37	B3G	2	-0.38944 Hartree
38	B3U	2	-0.34655 Hartree
39	B1G	2	-0.31458 Hartree
40	AU	2	-0.30804 Hartree
41	B2G	2	-0.27501 Hartree
42	B3U	0	-0.01796 Hartree
43	B1G	0	0.00417 Hartree
44	AG	0	0.00908 Hartree
45	B1U	0	0.01870 Hartree
46	B2U	0	0.02110 Hartree
47	AU	0	0.03234 Hartree
48	AG	0	0.03314 Hartree
49	B3G	0	0.03625 Hartree
50	B2U	0	0.05330 Hartree
51	B1U	0	0.05386 Hartree
52	B2G	0	0.05485 Hartree
53	B3U	0	0.06178 Hartree
54	AG	0	0.06625 Hartree
55	B2G	0	0.07759 Hartree
56	AG	0	0.07968 Hartree
57	B1G	0	0.08784 Hartree
58	B3G	0	0.09451 Hartree
59	B1U	0	0.09544 Hartree
60	B3U	0	0.10306 Hartree
61	AU	0	0.11148 Hartree
62	B2U	0	0.12484 Hartree
63	B1U	0	0.12541 Hartree
64	B2U	0	0.13829 Hartree
65	B3U	0	0.13872 Hartree
66	AG	0	0.14301 Hartree
67	B2G	0	0.14737 Hartree
68	B1G	0	0.15564 Hartree
69	B3U	0	0.16004 Hartree
70	AG	0	0.16162 Hartree
71	B3G	0	0.16340 Hartree
72	B2U	0	0.17801 Hartree
73	AG	0	0.17988 Hartree
74	B3G	0	0.18040 Hartree
75	B2G	0	0.18363 Hartree
76	B1U	0	0.18813 Hartree
77	B1U	0	0.19740 Hartree
78	AU	0	0.19749 Hartree
79	B2G	0	0.20240 Hartree
80	B2U	0	0.20905 Hartree
81	AG	0	0.21033 Hartree
82	B3U	0	0.21702 Hartree
83	B2U	0	0.21946 Hartree
84	B1U	0	0.22309 Hartree
85	AG	0	0.22737 Hartree
86	AG	0	0.23469 Hartree
87	B3G	0	0.23531 Hartree
88	B1U	0	0.24231 Hartree
89	B2U	0	0.24503 Hartree
90	B1U	0	0.25779 Hartree
91	AG	0	0.26318 Hartree
92	B2G	0	0.26900 Hartree
93	AG	0	0.27952 Hartree
94	B3G	0	0.28403 Hartree
95	B2U	0	0.28422 Hartree
96	B1U	0	0.29279 Hartree
97	B3G	0	0.29593 Hartree
98	B1U	0	0.30932 Hartree
99	B2U	0	0.30982 Hartree
100	AG	0	0.31708 Hartree
101	B3G	0	0.33182 Hartree
102	B2U	0	0.33860 Hartree
103	AG	0	0.34422 Hartree
104	B1U	0	0.34598 Hartree
105	B2U	0	0.35639 Hartree
106	B3G	0	0.36764 Hartree
107	AG	0	0.37721 Hartree
108	B1U	0	0.40609 Hartree
109	B3G	0	0.42836 Hartree
110	AG	0	0.45092 Hartree
111	B1U	0	0.45134 Hartree
112	B3U	0	0.47595 Hartree
113	B1U	0	0.50408 Hartree
114	AG	0	0.52304 Hartree
115	B2G	0	0.53489 Hartree
116	B2U	0	0.53555 Hartree
117	B1G	0	0.54031 Hartree
118	B3G	0	0.54212 Hartree
119	B2U	0	0.55486 Hartree
120	B3U	0	0.55984 Hartree
121	AG	0	0.56187 Hartree
122	B2U	0	0.56475 Hartree
123	B3U	0	0.56700 Hartree
124	B3G	0	0.56998 Hartree
125	B1U	0	0.57549 Hartree
126	AU	0	0.58286 Hartree
127	B1U	0	0.58353 Hartree
128	B2G	0	0.59347 Hartree
129	AG	0	0.60258 Hartree
130	B2U	0	0.60322 Hartree
131	B1G	0	0.61106 Hartree
132	B2G	0	0.62716 Hartree
133	B1U	0	0.64115 Hartree
134	AG	0	0.64300 Hartree
135	B3G	0	0.64894 Hartree
136	B3U	0	0.65229 Hartree
137	B1G	0	0.66307 Hartree
138	AG	0	0.67696 Hartree
139	B2U	0	0.67884 Hartree
140	AU	0	0.68086 Hartree
141	B2G	0	0.69628 Hartree
142	B1U	0	0.70350 Hartree
143	B3U	0	0.70723 Hartree
144	B3G	0	0.71718 Hartree
145	AG	0	0.72761 Hartree
146	B3G	0	0.73141 Hartree
147	AU	0	0.73850 Hartree
148	B1U	0	0.74167 Hartree
149	AG	0	0.74737 Hartree
150	B2U	0	0.75219 Hartree
151	B2G	0	0.77457 Hartree
152	B1U	0	0.79924 Hartree
153	B3U	0	0.80461 Hartree
154	B1G	0	0.81210 Hartree
155	AU	0	0.81715 Hartree
156	B2U	0	0.81806 Hartree
157	B3G	0	0.83457 Hartree
158	B1U	0	0.84150 Hartree
159	B2U	0	0.84445 Hartree
160	AG	0	0.84553 Hartree
161	B1U	0	0.85074 Hartree
162	B1G	0	0.85228 Hartree
163	AG	0	0.85602 Hartree
164	AG	0	0.86284 Hartree
165	B1U	0	0.87210 Hartree
166	B3G	0	0.87859 Hartree
167	B2G	0	0.88498 Hartree
168	B3U	0	0.88515 Hartree
169	AG	0	0.89050 Hartree
170	B2U	0	0.90109 Hartree
171	B2U	0	0.91858 Hartree
172	B1U	0	0.92066 Hartree
173	B3G	0	0.93056 Hartree
174	AG	0	0.93547 Hartree
175	AU	0	0.94530 Hartree
176	B3G	0	0.96599 Hartree
177	B1U	0	0.99855 Hartree
178	B1U	0	1.04584 Hartree
179	B3G	0	1.07130 Hartree
180	B2U	0	1.07987 Hartree
181	B2G	0	1.09035 Hartree
182	AG	0	1.10040 Hartree
183	B1G	0	1.13331 Hartree
184	AG	0	1.14788 Hartree
185	B3U	0	1.15109 Hartree
186	B3G	0	1.15828 Hartree
187	AU	0	1.18658 Hartree
188	B2U	0	1.19176 Hartree
189	B3G	0	1.20816 Hartree
190	B1U	0	1.22731 Hartree
191	AG	0	1.23621 Hartree
192	B1G	0	1.23630 Hartree
193	B3U	0	1.24179 Hartree
194	B2G	0	1.25843 Hartree
195	B1U	0	1.27538 Hartree
196	B2U	0	1.30962 Hartree
197	AG	0	1.32245 Hartree
198	B2G	0	1.33401 Hartree
199	B3U	0	1.34505 Hartree
200	AG	0	1.35587 Hartree
201	B2U	0	1.35916 Hartree
202	AU	0	1.37263 Hartree
203	B1U	0	1.37632 Hartree
204	B2U	0	1.38527 Hartree
205	B3G	0	1.38733 Hartree
206	AG	0	1.39373 Hartree
207	B1U	0	1.41485 Hartree
208	B3G	0	1.44292 Hartree
209	B2G	0	1.44644 Hartree
210	B1U	0	1.44674 Hartree
211	B3G	0	1.49698 Hartree
212	B2U	0	1.51528 Hartree
213	AG	0	1.51703 Hartree
214	B1U	0	1.52224 Hartree
215	AG	0	1.54751 Hartree
216	B1U	0	1.55455 Hartree
217	B3G	0	1.57843 Hartree
218	B1G	0	1.59198 Hartree
219	B2U	0	1.60624 Hartree
220	AG	0	1.60937 Hartree
221	B3G	0	1.63526 Hartree
222	B1U	0	1.64622 Hartree
223	B2U	0	1.66133 Hartree
224	B3U	0	1.69194 Hartree
225	B2U	0	1.70569 Hartree
226	B3G	0	1.71321 Hartree
227	B2G	0	1.73147 Hartree
228	AU	0	1.75231 Hartree
229	B1U	0	1.75810 Hartree
230	AG	0	1.79063 Hartree
231	B1G	0	1.81553 Hartree
232	AU	0	1.82920 Hartree
233	B1U	0	1.83691 Hartree
234	B3U	0	1.90168 Hartree
235	AG	0	1.92417 Hartree
236	B2G	0	1.99226 Hartree
237	B1G	0	2.01080 Hartree
238	B3G	0	2.01988 Hartree
239	AU	0	2.05093 Hartree
240	B1U	0	2.06313 Hartree
241	B2U	0	2.11211 Hartree
242	B3U	0	2.16966 Hartree
243	AG	0	2.25722 Hartree
244	B2G	0	2.26420 Hartree
245	B1U	0	2.28629 Hartree
246	B3G	0	2.34774 Hartree
247	AG	0	2.35643 Hartree
248	B1U	0	2.38302 Hartree
249	B2U	0	2.39170 Hartree
250	B3G	0	2.41313 Hartree
251	B2U	0	2.42995 Hartree
252	AG	0	2.56145 Hartree
253	B1U	0	2.62896 Hartree
254	AG	0	2.65071 Hartree
255	B2U	0	2.67735 Hartree
256	B3G	0	2.68271 Hartree
257	B3U	0	2.70043 Hartree
258	B1U	0	2.71479 Hartree
259	B3G	0	2.71721 Hartree
260	B2G	0	2.72480 Hartree
261	B2U	0	2.74852 Hartree
262	AG	0	2.74937 Hartree
263	B1U	0	2.77564 Hartree
264	B3G	0	2.78680 Hartree
265	AG	0	2.79096 Hartree
266	B1U	0	2.79808 Hartree
267	B2U	0	2.80058 Hartree
268	B3U	0	2.82655 Hartree
269	AG	0	2.83899 Hartree
270	B1G	0	2.85220 Hartree
271	B3G	0	2.88979 Hartree
272	B1G	0	2.90156 Hartree
273	B3U	0	2.90613 Hartree
274	AU	0	2.91052 Hartree
275	B2G	0	2.91316 Hartree
276	AU	0	2.99366 Hartree
277	B2U	0	3.00053 Hartree
278	B3G	0	3.01419 Hartree
279	B2U	0	3.01641 Hartree
280	B1U	0	3.02452 Hartree
281	B1G	0	3.03485 Hartree
282	B2G	0	3.04158 Hartree
283	AG	0	3.09055 Hartree
284	B3U	0	3.11875 Hartree
285	AG	0	3.14884 Hartree
286	AU	0	3.17135 Hartree
287	B3G	0	3.17376 Hartree
288	B2G	0	3.17709 Hartree
289	B3U	0	3.19649 Hartree
290	B2G	0	3.20155 Hartree
291	B1U	0	3.20595 Hartree
292	B2U	0	3.22596 Hartree
293	AG	0	3.23168 Hartree
294	B1U	0	3.26318 Hartree
295	B3G	0	3.27871 Hartree
296	B3U	0	3.29450 Hartree
297	B1G	0	3.29953 Hartree
298	B1G	0	3.30776 Hartree
299	B2G	0	3.30956 Hartree
300	AG	0	3.31025 Hartree
301	B2U	0	3.31488 Hartree
302	AU	0	3.31914 Hartree
303	B1U	0	3.34032 Hartree
304	B3U	0	3.36460 Hartree
305	AU	0	3.37932 Hartree
306	B2U	0	3.40914 Hartree
307	B3G	0	3.42993 Hartree
308	AG	0	3.43916 Hartree
309	B1U	0	3.49083 Hartree
310	AG	0	3.49689 Hartree
311	B2U	0	3.49895 Hartree
312	AG	0	3.51766 Hartree
313	B2G	0	3.52522 Hartree
314	B1U	0	3.53203 Hartree
315	B3U	0	3.56480 Hartree
316	B3G	0	3.56982 Hartree
317	B1G	0	3.57008 Hartree
318	AU	0	3.59290 Hartree
319	B3U	0	3.60173 Hartree
320	B1U	0	3.60368 Hartree
321	B1G	0	3.60502 Hartree
322	AG	0	3.60639 Hartree
323	B2G	0	3.61605 Hartree
324	B3G	0	3.62599 Hartree
325	B2G	0	3.64829 Hartree
326	AU	0	3.66124 Hartree
327	B2U	0	3.66784 Hartree
328	B3U	0	3.69105 Hartree
329	B2G	0	3.73540 Hartree
330	B3G	0	3.73708 Hartree
331	B1G	0	3.75129 Hartree
332	B2U	0	3.76883 Hartree
333	AG	0	3.76992 Hartree
334	B1U	0	3.78393 Hartree
335	B2U	0	3.78403 Hartree
336	AU	0	3.80855 Hartree
337	B1U	0	3.81638 Hartree
338	B3G	0	3.82081 Hartree
339	AG	0	3.84933 Hartree
340	B1U	0	3.88279 Hartree
341	B2U	0	3.90559 Hartree
342	AG	0	3.90686 Hartree
343	B1U	0	3.91874 Hartree
344	B3G	0	3.93110 Hartree
345	AG	0	3.94371 Hartree
346	AG	0	3.95031 Hartree
347	B2U	0	3.95805 Hartree
348	B1U	0	3.97238 Hartree
349	B3G	0	3.99083 Hartree
350	B3G	0	4.02292 Hartree
351	B1U	0	4.03744 Hartree
352	AG	0	4.06125 Hartree
353	B1U	0	4.12814 Hartree
354	B2U	0	4.13667 Hartree
355	B1U	0	4.17810 Hartree
356	B3G	0	4.26858 Hartree
357	AG	0	4.41245 Hartree
358	B2U	0	4.54511 Hartree
359	B3G	0	4.54912 Hartree
360	B1U	0	4.60872 Hartree
361	AG	0	4.63064 Hartree
362	B1U	0	4.67654 Hartree
363	AG	0	4.78168 Hartree
364	B2U	0	4.82924 Hartree
365	B3G	0	4.84913 Hartree
366	B1U	0	5.19725 Hartree
367	B2U	0	5.30457 Hartree
368	B3G	0	5.32012 Hartree
369	AG	0	23.70256 Hartree
370	B1U	0	23.85358 Hartree
371	B1U	0	24.02992 Hartree
372	B2U	0	24.08605 Hartree
373	B3G	0	24.10856 Hartree
374	AG	0	24.10975 Hartree
375	B2U	0	24.13671 Hartree
376	B1U	0	24.17938 Hartree
377	AG	0	24.19158 Hartree
378	B1U	0	24.28696 Hartree
379	AG	0	24.31027 Hartree
380	B3G	0	24.38107 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom	Symbol	Charge
1	C	-0.20314
2	C	-0.21221
3	C	-0.20314
4	C	-0.23823
5	C	0.04480
6	C	-0.23823
7	H	0.20654
8	C	0.04480
9	C	-0.23823
10	C	-0.20314
11	C	-0.21221
12	C	-0.20314
13	C	-0.23823
14	H	0.20654
15	H	0.21238
16	H	0.21231
17	H	0.21238
18	H	0.20654
19	H	0.20654
20	H	0.21238
21	H	0.21231
22	H	0.21238

Natural Atomic Orbitals

Display Range		- / 384
Orbital	Description	Occupancy	Energy	Actions
1	C1 Cor(1s)	1.999993611	-10.543875190 Hartree
2	C1 Val(2s)	0.946982706	-0.095190834 Hartree
3	C1 Ryd(3s)	0.000897910	1.359738534 Hartree
4	C1 Ryd(4s)	0.000079618	12.956104650 Hartree
5	C1 Ryd(5s)	0.000005844	6.995728909 Hartree
6	C1 Val(2p)	0.994047458	-0.112433040 Hartree
7	C1 Ryd(3p)	0.001086888	0.605042754 Hartree
8	C1 Ryd(4p)	0.000461719	0.305436057 Hartree
9	C1 Ryd(5p)	0.000019757	2.775728674 Hartree
10	C1 Val(2p)	1.151318461	-0.051501689 Hartree
11	C1 Ryd(3p)	0.005684396	1.136648896 Hartree
12	C1 Ryd(4p)	0.000348503	0.722566555 Hartree
13	C1 Ryd(5p)	0.000067832	3.692922531 Hartree
14	C1 Val(2p)	1.091835584	-0.030846453 Hartree
15	C1 Ryd(3p)	0.004340717	0.901211239 Hartree
16	C1 Ryd(4p)	0.000666548	1.764633735 Hartree
17	C1 Ryd(5p)	0.000124377	3.499749283 Hartree
18	C1 Ryd(3d)	0.000380255	1.302128195 Hartree
19	C1 Ryd(4d)	0.000022334	3.163575977 Hartree
20	C1 Ryd(3d)	0.000613033	1.300705731 Hartree
21	C1 Ryd(4d)	0.000065722	3.222936923 Hartree
22	C1 Ryd(3d)	0.000806611	2.313167950 Hartree
23	C1 Ryd(4d)	0.000553014	3.829551525 Hartree
24	C1 Ryd(3d)	0.001191302	1.817830233 Hartree
25	C1 Ryd(4d)	0.000107466	3.609378144 Hartree
26	C1 Ryd(3d)	0.001102723	2.300161879 Hartree
27	C1 Ryd(4d)	0.000331829	3.745470038 Hartree
28	C2 Cor(1s)	1.999993641	-10.542897019 Hartree
29	C2 Val(2s)	0.950336607	-0.096903095 Hartree
30	C2 Ryd(3s)	0.001013374	1.158959620 Hartree
31	C2 Ryd(4s)	0.000046894	4.697442263 Hartree
32	C2 Ryd(5s)	0.000005278	20.360327527 Hartree
33	C2 Val(2p)	0.997915618	-0.112580763 Hartree
34	C2 Ryd(3p)	0.002074238	0.558564119 Hartree
35	C2 Ryd(4p)	0.000739562	0.308641874 Hartree
36	C2 Ryd(5p)	0.000025044	2.805494007 Hartree
37	C2 Val(2p)	1.065757130	-0.023679594 Hartree
38	C2 Ryd(3p)	0.003809210	0.724383224 Hartree
39	C2 Ryd(4p)	0.000354514	1.906823241 Hartree
40	C2 Ryd(5p)	0.000128486	3.447685585 Hartree
41	C2 Val(2p)	1.178647600	-0.059343364 Hartree
42	C2 Ryd(3p)	0.006121993	1.185978264 Hartree
43	C2 Ryd(4p)	0.000425001	0.327825339 Hartree
44	C2 Ryd(5p)	0.000035853	3.740245420 Hartree
45	C2 Ryd(3d)	0.000273183	1.400012649 Hartree
46	C2 Ryd(4d)	0.000087859	3.134085562 Hartree
47	C2 Ryd(3d)	0.000425181	1.445013477 Hartree
48	C2 Ryd(4d)	0.000006049	3.024941166 Hartree
49	C2 Ryd(3d)	0.000909169	2.260818807 Hartree
50	C2 Ryd(4d)	0.000281751	3.765586517 Hartree
51	C2 Ryd(3d)	0.001322785	2.317636168 Hartree
52	C2 Ryd(4d)	0.000192827	3.547390677 Hartree
53	C2 Ryd(3d)	0.000766968	1.867147194 Hartree
54	C2 Ryd(4d)	0.000518018	3.745328172 Hartree
55	C3 Cor(1s)	1.999993611	-10.543875190 Hartree
56	C3 Val(2s)	0.946982706	-0.095190834 Hartree
57	C3 Ryd(3s)	0.000897910	1.359738607 Hartree
58	C3 Ryd(4s)	0.000079618	12.956116155 Hartree
59	C3 Ryd(5s)	0.000005844	6.995725644 Hartree
60	C3 Val(2p)	0.994047458	-0.112433040 Hartree
61	C3 Ryd(3p)	0.001086888	0.605042754 Hartree
62	C3 Ryd(4p)	0.000461719	0.305436057 Hartree
63	C3 Ryd(5p)	0.000019757	2.775728674 Hartree
64	C3 Val(2p)	1.151318461	-0.051501689 Hartree
65	C3 Ryd(3p)	0.005684396	1.136648903 Hartree
66	C3 Ryd(4p)	0.000348503	0.722566567 Hartree
67	C3 Ryd(5p)	0.000067832	3.692922534 Hartree
68	C3 Val(2p)	1.091835584	-0.030846453 Hartree
69	C3 Ryd(3p)	0.004340717	0.901211227 Hartree
70	C3 Ryd(4p)	0.000666548	1.764633668 Hartree
71	C3 Ryd(5p)	0.000124377	3.499749284 Hartree
72	C3 Ryd(3d)	0.000380255	1.302128195 Hartree
73	C3 Ryd(4d)	0.000022334	3.163575977 Hartree
74	C3 Ryd(3d)	0.000613033	1.300705731 Hartree
75	C3 Ryd(4d)	0.000065722	3.222936923 Hartree
76	C3 Ryd(3d)	0.000806611	2.313167951 Hartree
77	C3 Ryd(4d)	0.000553014	3.829551525 Hartree
78	C3 Ryd(3d)	0.001191302	1.817830237 Hartree
79	C3 Ryd(4d)	0.000107466	3.609378144 Hartree
80	C3 Ryd(3d)	0.001102723	2.300161877 Hartree
81	C3 Ryd(4d)	0.000331829	3.745470038 Hartree
82	C4 Cor(1s)	1.999992966	-10.543962332 Hartree
83	C4 Val(2s)	0.940016366	-0.080986153 Hartree
84	C4 Ryd(3s)	0.003601978	1.393992484 Hartree
85	C4 Ryd(4s)	0.000159132	16.467829850 Hartree
86	C4 Ryd(5s)	0.000012137	3.859525967 Hartree
87	C4 Val(2p)	1.004500216	-0.115089780 Hartree
88	C4 Ryd(3p)	0.004805306	0.416610350 Hartree
89	C4 Ryd(4p)	0.002602186	0.583382361 Hartree
90	C4 Ryd(5p)	0.000033666	2.786696145 Hartree
91	C4 Val(2p)	1.153376024	-0.052963719 Hartree
92	C4 Ryd(3p)	0.004849638	0.924555405 Hartree
93	C4 Ryd(4p)	0.001221327	0.689371072 Hartree
94	C4 Ryd(5p)	0.000032824	3.572991202 Hartree
95	C4 Val(2p)	1.104217505	-0.037232525 Hartree
96	C4 Ryd(3p)	0.012268779	0.744087972 Hartree
97	C4 Ryd(4p)	0.001007959	1.284875527 Hartree
98	C4 Ryd(5p)	0.000167660	3.585419259 Hartree
99	C4 Ryd(3d)	0.000300556	1.361663388 Hartree
100	C4 Ryd(4d)	0.000036576	3.155371050 Hartree
101	C4 Ryd(3d)	0.000352557	1.327935931 Hartree
102	C4 Ryd(4d)	0.000078612	3.196390706 Hartree
103	C4 Ryd(3d)	0.000919297	2.357627045 Hartree
104	C4 Ryd(4d)	0.000575306	3.858504447 Hartree
105	C4 Ryd(3d)	0.001620139	1.858374963 Hartree
106	C4 Ryd(4d)	0.000100211	3.607142092 Hartree
107	C4 Ryd(3d)	0.001128881	2.405341743 Hartree
108	C4 Ryd(4d)	0.000252979	3.759914887 Hartree
109	C5 Cor(1s)	1.999992827	-10.558515253 Hartree
110	C5 Val(2s)	0.863038427	-0.060637354 Hartree
111	C5 Ryd(3s)	0.000803036	1.902255523 Hartree
112	C5 Ryd(4s)	0.000002111	18.581406868 Hartree
113	C5 Val(2p)	0.977506854	-0.105901400 Hartree
114	C5 Ryd(4p)	0.000097485	0.852496982 Hartree
115	C5 Ryd(3p)	0.000258107	2.695476662 Hartree
116	C5 Val(2p)	1.057200148	-0.019048180 Hartree
117	C5 Ryd(3p)	0.002053065	1.636026766 Hartree
118	C5 Ryd(4p)	0.000175057	3.113869344 Hartree
119	C5 Val(2p)	1.041994479	-0.034423916 Hartree
120	C5 Ryd(3p)	0.002735398	1.245361481 Hartree
121	C5 Ryd(4p)	0.000153631	3.654067785 Hartree
122	C5 Ryd(4d)	0.000211120	1.215797015 Hartree
123	C5 Ryd(3d)	0.000233454	3.468367490 Hartree
124	C5 Ryd(3d)	0.000571137	1.219565506 Hartree
125	C5 Ryd(4d)	0.000167855	3.513056488 Hartree
126	C5 Ryd(3d)	0.001844488	3.046301288 Hartree
127	C5 Ryd(4d)	0.000486851	3.794124113 Hartree
128	C5 Ryd(3d)	0.002721957	2.310503425 Hartree
129	C5 Ryd(4d)	0.000306114	3.672508558 Hartree
130	C5 Ryd(3d)	0.002245134	2.569405037 Hartree
131	C5 Ryd(4d)	0.000403733	3.630433087 Hartree
132	C6 Cor(1s)	1.999992966	-10.543962332 Hartree
133	C6 Val(2s)	0.940016366	-0.080986153 Hartree
134	C6 Ryd(3s)	0.003601978	1.393992499 Hartree
135	C6 Ryd(4s)	0.000159132	16.467829092 Hartree
136	C6 Ryd(5s)	0.000012137	3.859522794 Hartree
137	C6 Val(2p)	1.004500216	-0.115089780 Hartree
138	C6 Ryd(3p)	0.004805306	0.416610350 Hartree
139	C6 Ryd(4p)	0.002602186	0.583382361 Hartree
140	C6 Ryd(5p)	0.000033666	2.786696145 Hartree
141	C6 Val(2p)	1.153376024	-0.052963719 Hartree
142	C6 Ryd(3p)	0.004849638	0.924555404 Hartree
143	C6 Ryd(4p)	0.001221327	0.689371080 Hartree
144	C6 Ryd(5p)	0.000032824	3.572991203 Hartree
145	C6 Val(2p)	1.104217505	-0.037232525 Hartree
146	C6 Ryd(3p)	0.012268779	0.744087990 Hartree
147	C6 Ryd(4p)	0.001007959	1.284875532 Hartree
148	C6 Ryd(5p)	0.000167660	3.585419266 Hartree
149	C6 Ryd(3d)	0.000300556	1.361663388 Hartree
150	C6 Ryd(4d)	0.000036576	3.155371050 Hartree
151	C6 Ryd(3d)	0.000352557	1.327935931 Hartree
152	C6 Ryd(4d)	0.000078612	3.196390706 Hartree
153	C6 Ryd(3d)	0.000919297	2.357627046 Hartree
154	C6 Ryd(4d)	0.000575306	3.858504446 Hartree
155	C6 Ryd(3d)	0.001620139	1.858374958 Hartree
156	C6 Ryd(4d)	0.000100211	3.607142091 Hartree
157	C6 Ryd(3d)	0.001128881	2.405341746 Hartree
158	C6 Ryd(4d)	0.000252979	3.759914887 Hartree
159	H7 Val(1s)	0.790658945	0.076602345 Hartree
160	H7 Ryd(2s)	0.001694107	0.774076737 Hartree
161	H7 Ryd(3s)	0.000142383	2.401670292 Hartree
162	H7 Ryd(2p)	0.000175423	1.851299257 Hartree
163	H7 Ryd(2p)	0.000595185	2.555318857 Hartree
164	H7 Ryd(2p)	0.000189491	2.364314498 Hartree
165	C8 Cor(1s)	1.999992827	-10.558515253 Hartree
166	C8 Val(2s)	0.863038427	-0.060637354 Hartree
167	C8 Ryd(3s)	0.000803036	1.902255581 Hartree
168	C8 Ryd(4s)	0.000002111	18.581407003 Hartree
169	C8 Val(2p)	0.977506854	-0.105901400 Hartree
170	C8 Ryd(4p)	0.000097485	0.852496982 Hartree
171	C8 Ryd(3p)	0.000258107	2.695476662 Hartree
172	C8 Val(2p)	1.057200148	-0.019048180 Hartree
173	C8 Ryd(3p)	0.002053065	1.636026764 Hartree
174	C8 Ryd(4p)	0.000175057	3.113869342 Hartree
175	C8 Val(2p)	1.041994479	-0.034423917 Hartree
176	C8 Ryd(3p)	0.002735398	1.245361470 Hartree
177	C8 Ryd(4p)	0.000153631	3.654067771 Hartree
178	C8 Ryd(4d)	0.000211120	1.215797015 Hartree
179	C8 Ryd(3d)	0.000233454	3.468367490 Hartree
180	C8 Ryd(3d)	0.000571137	1.219565506 Hartree
181	C8 Ryd(4d)	0.000167855	3.513056488 Hartree
182	C8 Ryd(3d)	0.001844488	3.046301288 Hartree
183	C8 Ryd(4d)	0.000486851	3.794124113 Hartree
184	C8 Ryd(3d)	0.002721957	2.310503447 Hartree
185	C8 Ryd(4d)	0.000306114	3.672508558 Hartree
186	C8 Ryd(3d)	0.002245134	2.569405037 Hartree
187	C8 Ryd(4d)	0.000403733	3.630433086 Hartree
188	C9 Cor(1s)	1.999992966	-10.543962332 Hartree
189	C9 Val(2s)	0.940016366	-0.080986153 Hartree
190	C9 Ryd(3s)	0.003601978	1.393992441 Hartree
191	C9 Ryd(4s)	0.000159132	16.467829495 Hartree
192	C9 Ryd(5s)	0.000012137	3.859504218 Hartree
193	C9 Val(2p)	1.004500216	-0.115089780 Hartree
194	C9 Ryd(3p)	0.004805306	0.416610350 Hartree
195	C9 Ryd(4p)	0.002602186	0.583382361 Hartree
196	C9 Ryd(5p)	0.000033666	2.786696145 Hartree
197	C9 Val(2p)	1.153376024	-0.052963719 Hartree
198	C9 Ryd(3p)	0.004849638	0.924555407 Hartree
199	C9 Ryd(4p)	0.001221327	0.689371080 Hartree
200	C9 Ryd(5p)	0.000032824	3.572991203 Hartree
201	C9 Val(2p)	1.104217505	-0.037232525 Hartree
202	C9 Ryd(3p)	0.012268779	0.744087971 Hartree
203	C9 Ryd(4p)	0.001007959	1.284875451 Hartree
204	C9 Ryd(5p)	0.000167660	3.585419259 Hartree
205	C9 Ryd(3d)	0.000300556	1.361663388 Hartree
206	C9 Ryd(4d)	0.000036576	3.155371050 Hartree
207	C9 Ryd(3d)	0.000352557	1.327935931 Hartree
208	C9 Ryd(4d)	0.000078612	3.196390706 Hartree
209	C9 Ryd(3d)	0.000919297	2.357627054 Hartree
210	C9 Ryd(4d)	0.000575306	3.858504447 Hartree
211	C9 Ryd(3d)	0.001620139	1.858374967 Hartree
212	C9 Ryd(4d)	0.000100211	3.607142093 Hartree
213	C9 Ryd(3d)	0.001128881	2.405341749 Hartree
214	C9 Ryd(4d)	0.000252979	3.759914887 Hartree
215	C10 Cor(1s)	1.999993611	-10.543875190 Hartree
216	C10 Val(2s)	0.946982706	-0.095190834 Hartree
217	C10 Ryd(3s)	0.000897910	1.359738552 Hartree
218	C10 Ryd(4s)	0.000079618	12.956104269 Hartree
219	C10 Ryd(5s)	0.000005844	6.995721213 Hartree
220	C10 Val(2p)	0.994047458	-0.112433040 Hartree
221	C10 Ryd(3p)	0.001086888	0.605042754 Hartree
222	C10 Ryd(4p)	0.000461719	0.305436057 Hartree
223	C10 Ryd(5p)	0.000019757	2.775728674 Hartree
224	C10 Val(2p)	1.151318461	-0.051501689 Hartree
225	C10 Ryd(3p)	0.005684396	1.136648897 Hartree
226	C10 Ryd(4p)	0.000348503	0.722566563 Hartree
227	C10 Ryd(5p)	0.000067832	3.692922538 Hartree
228	C10 Val(2p)	1.091835584	-0.030846453 Hartree
229	C10 Ryd(3p)	0.004340717	0.901211235 Hartree
230	C10 Ryd(4p)	0.000666548	1.764633684 Hartree
231	C10 Ryd(5p)	0.000124377	3.499749282 Hartree
232	C10 Ryd(3d)	0.000380255	1.302128195 Hartree
233	C10 Ryd(4d)	0.000022334	3.163575977 Hartree
234	C10 Ryd(3d)	0.000613033	1.300705731 Hartree
235	C10 Ryd(4d)	0.000065722	3.222936923 Hartree
236	C10 Ryd(3d)	0.000806611	2.313167951 Hartree
237	C10 Ryd(4d)	0.000553014	3.829551526 Hartree
238	C10 Ryd(3d)	0.001191302	1.817830231 Hartree
239	C10 Ryd(4d)	0.000107466	3.609378143 Hartree
240	C10 Ryd(3d)	0.001102723	2.300161884 Hartree
241	C10 Ryd(4d)	0.000331829	3.745470038 Hartree
242	C11 Cor(1s)	1.999993641	-10.542897019 Hartree
243	C11 Val(2s)	0.950336607	-0.096903095 Hartree
244	C11 Ryd(3s)	0.001013374	1.158959601 Hartree
245	C11 Ryd(4s)	0.000046894	4.697441587 Hartree
246	C11 Ryd(5s)	0.000005278	20.360327654 Hartree
247	C11 Val(2p)	0.997915618	-0.112580763 Hartree
248	C11 Ryd(3p)	0.002074238	0.558564119 Hartree
249	C11 Ryd(4p)	0.000739562	0.308641873 Hartree
250	C11 Ryd(5p)	0.000025044	2.805494007 Hartree
251	C11 Val(2p)	1.065757130	-0.023679594 Hartree
252	C11 Ryd(3p)	0.003809210	0.724383225 Hartree
253	C11 Ryd(4p)	0.000354514	1.906823294 Hartree
254	C11 Ryd(5p)	0.000128486	3.447685585 Hartree
255	C11 Val(2p)	1.178647600	-0.059343364 Hartree
256	C11 Ryd(3p)	0.006121993	1.185978262 Hartree
257	C11 Ryd(4p)	0.000425001	0.327825339 Hartree
258	C11 Ryd(5p)	0.000035853	3.740245418 Hartree
259	C11 Ryd(3d)	0.000273183	1.400012649 Hartree
260	C11 Ryd(4d)	0.000087859	3.134085562 Hartree
261	C11 Ryd(3d)	0.000425181	1.445013477 Hartree
262	C11 Ryd(4d)	0.000006049	3.024941166 Hartree
263	C11 Ryd(3d)	0.000909169	2.260818804 Hartree
264	C11 Ryd(4d)	0.000281751	3.765586517 Hartree
265	C11 Ryd(3d)	0.001322785	2.317636168 Hartree
266	C11 Ryd(4d)	0.000192827	3.547390676 Hartree
267	C11 Ryd(3d)	0.000766968	1.867147193 Hartree
268	C11 Ryd(4d)	0.000518018	3.745328172 Hartree
269	C12 Cor(1s)	1.999993611	-10.543875190 Hartree
270	C12 Val(2s)	0.946982706	-0.095190834 Hartree
271	C12 Ryd(3s)	0.000897910	1.359738547 Hartree
272	C12 Ryd(4s)	0.000079618	12.956104794 Hartree
273	C12 Ryd(5s)	0.000005844	6.995735398 Hartree
274	C12 Val(2p)	0.994047458	-0.112433040 Hartree
275	C12 Ryd(3p)	0.001086888	0.605042754 Hartree
276	C12 Ryd(4p)	0.000461719	0.305436057 Hartree
277	C12 Ryd(5p)	0.000019757	2.775728674 Hartree
278	C12 Val(2p)	1.151318461	-0.051501689 Hartree
279	C12 Ryd(3p)	0.005684396	1.136648902 Hartree
280	C12 Ryd(4p)	0.000348503	0.722566558 Hartree
281	C12 Ryd(5p)	0.000067832	3.692922538 Hartree
282	C12 Val(2p)	1.091835584	-0.030846453 Hartree
283	C12 Ryd(3p)	0.004340717	0.901211232 Hartree
284	C12 Ryd(4p)	0.000666548	1.764633704 Hartree
285	C12 Ryd(5p)	0.000124377	3.499749282 Hartree
286	C12 Ryd(3d)	0.000380255	1.302128195 Hartree
287	C12 Ryd(4d)	0.000022334	3.163575977 Hartree
288	C12 Ryd(3d)	0.000613033	1.300705731 Hartree
289	C12 Ryd(4d)	0.000065722	3.222936923 Hartree
290	C12 Ryd(3d)	0.000806611	2.313167951 Hartree
291	C12 Ryd(4d)	0.000553014	3.829551526 Hartree
292	C12 Ryd(3d)	0.001191302	1.817830234 Hartree
293	C12 Ryd(4d)	0.000107466	3.609378144 Hartree
294	C12 Ryd(3d)	0.001102723	2.300161879 Hartree
295	C12 Ryd(4d)	0.000331829	3.745470038 Hartree
296	C13 Cor(1s)	1.999992966	-10.543962332 Hartree
297	C13 Val(2s)	0.940016366	-0.080986153 Hartree
298	C13 Ryd(3s)	0.003601978	1.393992510 Hartree
299	C13 Ryd(4s)	0.000159132	16.467829227 Hartree
300	C13 Ryd(5s)	0.000012137	3.859528854 Hartree
301	C13 Val(2p)	1.004500216	-0.115089780 Hartree
302	C13 Ryd(3p)	0.004805306	0.416610350 Hartree
303	C13 Ryd(4p)	0.002602186	0.583382361 Hartree
304	C13 Ryd(5p)	0.000033666	2.786696145 Hartree
305	C13 Val(2p)	1.153376024	-0.052963719 Hartree
306	C13 Ryd(3p)	0.004849638	0.924555411 Hartree
307	C13 Ryd(4p)	0.001221327	0.689371076 Hartree
308	C13 Ryd(5p)	0.000032824	3.572991203 Hartree
309	C13 Val(2p)	1.104217505	-0.037232525 Hartree
310	C13 Ryd(3p)	0.012268779	0.744087968 Hartree
311	C13 Ryd(4p)	0.001007959	1.284875516 Hartree
312	C13 Ryd(5p)	0.000167660	3.585419260 Hartree
313	C13 Ryd(3d)	0.000300556	1.361663388 Hartree
314	C13 Ryd(4d)	0.000036576	3.155371050 Hartree
315	C13 Ryd(3d)	0.000352557	1.327935931 Hartree
316	C13 Ryd(4d)	0.000078612	3.196390706 Hartree
317	C13 Ryd(3d)	0.000919297	2.357627052 Hartree
318	C13 Ryd(4d)	0.000575306	3.858504447 Hartree
319	C13 Ryd(3d)	0.001620139	1.858374966 Hartree
320	C13 Ryd(4d)	0.000100211	3.607142093 Hartree
321	C13 Ryd(3d)	0.001128881	2.405341743 Hartree
322	C13 Ryd(4d)	0.000252979	3.759914887 Hartree
323	H14 Val(1s)	0.790658945	0.076602345 Hartree
324	H14 Ryd(2s)	0.001694107	0.774076746 Hartree
325	H14 Ryd(3s)	0.000142383	2.401670292 Hartree
326	H14 Ryd(2p)	0.000175423	1.851299257 Hartree
327	H14 Ryd(2p)	0.000595185	2.555318857 Hartree
328	H14 Ryd(2p)	0.000189491	2.364314497 Hartree
329	H15 Val(1s)	0.786213824	0.078037905 Hartree
330	H15 Ryd(2s)	0.000519312	1.025188449 Hartree
331	H15 Ryd(3s)	0.000081772	2.328821366 Hartree
332	H15 Ryd(2p)	0.000084156	1.847088394 Hartree
333	H15 Ryd(2p)	0.000543174	2.522898007 Hartree
334	H15 Ryd(2p)	0.000180125	2.370892745 Hartree
335	H16 Val(1s)	0.786010883	0.078253409 Hartree
336	H16 Ryd(2s)	0.000727603	0.806325238 Hartree
337	H16 Ryd(3s)	0.000096884	2.370405489 Hartree
338	H16 Ryd(2p)	0.000074414	1.836719185 Hartree
339	H16 Ryd(2p)	0.000055885	2.284201196 Hartree
340	H16 Ryd(2p)	0.000728232	2.583523128 Hartree
341	H17 Val(1s)	0.786213824	0.078037905 Hartree
342	H17 Ryd(2s)	0.000519312	1.025188449 Hartree
343	H17 Ryd(3s)	0.000081772	2.328821366 Hartree
344	H17 Ryd(2p)	0.000084156	1.847088394 Hartree
345	H17 Ryd(2p)	0.000543174	2.522898007 Hartree
346	H17 Ryd(2p)	0.000180125	2.370892745 Hartree
347	H18 Val(1s)	0.790658945	0.076602345 Hartree
348	H18 Ryd(2s)	0.001694107	0.774076741 Hartree
349	H18 Ryd(3s)	0.000142383	2.401670292 Hartree
350	H18 Ryd(2p)	0.000175423	1.851299257 Hartree
351	H18 Ryd(2p)	0.000595185	2.555318857 Hartree
352	H18 Ryd(2p)	0.000189491	2.364314498 Hartree
353	H19 Val(1s)	0.790658945	0.076602345 Hartree
354	H19 Ryd(2s)	0.001694107	0.774076736 Hartree
355	H19 Ryd(3s)	0.000142383	2.401670292 Hartree
356	H19 Ryd(2p)	0.000175423	1.851299257 Hartree
357	H19 Ryd(2p)	0.000595185	2.555318858 Hartree
358	H19 Ryd(2p)	0.000189491	2.364314497 Hartree
359	H20 Val(1s)	0.786213824	0.078037905 Hartree
360	H20 Ryd(2s)	0.000519312	1.025188452 Hartree
361	H20 Ryd(3s)	0.000081772	2.328821366 Hartree
362	H20 Ryd(2p)	0.000084156	1.847088394 Hartree
363	H20 Ryd(2p)	0.000543174	2.522898007 Hartree
364	H20 Ryd(2p)	0.000180125	2.370892745 Hartree
365	H21 Val(1s)	0.786010883	0.078253409 Hartree
366	H21 Ryd(2s)	0.000727603	0.806325241 Hartree
367	H21 Ryd(3s)	0.000096884	2.370405489 Hartree
368	H21 Ryd(2p)	0.000074414	1.836719185 Hartree
369	H21 Ryd(2p)	0.000055885	2.284201196 Hartree
370	H21 Ryd(2p)	0.000728232	2.583523129 Hartree
371	H22 Val(1s)	0.786213824	0.078037905 Hartree
372	H22 Ryd(2s)	0.000519312	1.025188445 Hartree
373	H22 Ryd(3s)	0.000081772	2.328821366 Hartree
374	H22 Ryd(2p)	0.000084156	1.847088394 Hartree
375	H22 Ryd(2p)	0.000543174	2.522898007 Hartree
376	H22 Ryd(2p)	0.000180125	2.370892746 Hartree
377			********** Hartree
378			********** Hartree
379			********** Hartree
380			********** Hartree
381			********** Hartree
382			********** Hartree
383			********** Hartree
384			********** Hartree

Natural Hybrid Orbitals

Display Range		- / 384
Orbital	Description	Occupancy	Energy	Actions
1	CR(1)C1 s(100.00%)	1.999993611	-10.543875190 Hartree
2	CR(1)C2 s(100.00%)	1.999993641	-10.542897019 Hartree
3	CR(1)C3 s(100.00%)	1.999993611	-10.543875190 Hartree
4	CR(1)C4 s(100.00%)	1.999992966	-10.543962332 Hartree
5	CR(1)C5 s(100.00%)	1.999992827	-10.558515253 Hartree
6	CR(1)C6 s(100.00%)	1.999992966	-10.543962332 Hartree
7	CR(1)C8 s(100.00%)	1.999992827	-10.558515253 Hartree
8	CR(1)C9 s(100.00%)	1.999992966	-10.543962332 Hartree
9	CR(1)C10 s(100.00%)	1.999993611	-10.543875190 Hartree
10	CR(1)C11 s(100.00%)	1.999993641	-10.542897019 Hartree
11	CR(1)C12 s(100.00%)	1.999993611	-10.543875190 Hartree
12	CR(1)C13 s(100.00%)	1.999992966	-10.543962332 Hartree
13	BD(1)C1(C2) 1s(35.93%)p1.78(63.97%)d0.00(0.11%)	0.998157867	-0.017114107 Hartree
14	BD(1)C2(C1) 2s(35.84%)p1.79(64.04%)d0.00(0.12%)	0.996434385	-0.014944957 Hartree
15	BD(1)C1(C6) 1s(36.11%)p1.77(63.77%)d0.00(0.12%)	0.990336134	-0.011815053 Hartree
16	BD(1)C6(C1) 6s(36.44%)p1.74(63.43%)d0.00(0.13%)	1.004249914	-0.016659293 Hartree
17	BD(2)C1(C6) 1s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.994849373	-0.113955098 Hartree
18	BD(2)C6(C1) 6s(0.00%)p1.00(99.97%)d0.00(0.03%)	1.004671291	-0.116140071 Hartree
19	BD(1)C1(H22) 1s(27.80%)p2.60(72.16%)d0.00(0.04%)	1.208505451	-0.130283252 Hartree
20	BD(1)H22(C1) 22s(99.94%)p0.00(0.06%)	0.786744069	0.078877058 Hartree
21	BD(1)C2(C3) 2s(35.84%)p1.79(64.04%)d0.00(0.12%)	0.996434385	-0.014944957 Hartree
22	BD(1)C3(C2) 3s(35.93%)p1.78(63.97%)d0.00(0.11%)	0.998157867	-0.017114107 Hartree
23	BD(2)C2(C3) 2s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.999045219	-0.114175617 Hartree
24	BD(2)C3(C2) 3s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.994895394	-0.113778494 Hartree
25	BD(1)C2(H21) 2s(28.16%)p2.55(71.80%)d0.00(0.04%)	1.209062475	-0.130685137 Hartree
26	BD(1)H21(C2) 21s(99.94%)p0.00(0.06%)	0.786565795	0.079071494 Hartree
27	BD(1)C3(C4) 3s(36.11%)p1.77(63.77%)d0.00(0.12%)	0.990336134	-0.011815053 Hartree
28	BD(1)C4(C3) 4s(36.44%)p1.74(63.43%)d0.00(0.13%)	1.004249914	-0.016659293 Hartree
29	BD(1)C3(H20) 3s(27.80%)p2.60(72.16%)d0.00(0.04%)	1.208505451	-0.130283252 Hartree
30	BD(1)H20(C3) 20s(99.94%)p0.00(0.06%)	0.786744069	0.078877058 Hartree
31	BD(1)C4(C5) 4s(36.03%)p1.77(63.79%)d0.00(0.18%)	0.997429858	-0.007929115 Hartree
32	BD(1)C5(C4) 5s(34.17%)p1.92(65.70%)d0.00(0.13%)	0.988842115	-0.018857602 Hartree
33	BD(2)C4(C5) 4s(0.00%)p1.00(99.97%)d0.00(0.03%)	1.003733207	-0.114428597 Hartree
34	BD(2)C5(C4) 5s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.978054358	-0.104930273 Hartree
35	BD(1)C4(H19) 4s(27.52%)p2.63(72.44%)d0.00(0.04%)	1.204472541	-0.127258646 Hartree
36	BD(1)H19(C4) 19s(99.93%)p0.00(0.07%)	0.791215002	0.077755087 Hartree
37	BD(1)C5(C6) 5s(34.17%)p1.92(65.70%)d0.00(0.13%)	0.988842115	-0.018857602 Hartree
38	BD(1)C6(C5) 6s(36.03%)p1.77(63.79%)d0.00(0.18%)	0.997429858	-0.007929115 Hartree
39	BD(1)C5(C8) 5s(31.21%)p2.20(68.50%)d0.01(0.29%)	0.990246045	-0.054509914 Hartree
40	BD(1)C8(C5) 8s(31.21%)p2.20(68.50%)d0.01(0.29%)	0.990246045	-0.054509914 Hartree
41	BD(1)C6(H7) 6s(27.52%)p2.63(72.44%)d0.00(0.04%)	1.204472541	-0.127258646 Hartree
42	BD(1)H7(C6) 7s(99.93%)p0.00(0.07%)	0.791215002	0.077755087 Hartree
43	BD(1)C8(C9) 8s(34.17%)p1.92(65.70%)d0.00(0.13%)	0.988842115	-0.018857602 Hartree
44	BD(1)C9(C8) 9s(36.03%)p1.77(63.79%)d0.00(0.18%)	0.997429858	-0.007929115 Hartree
45	BD(1)C8(C13) 8s(34.17%)p1.92(65.70%)d0.00(0.13%)	0.988842115	-0.018857602 Hartree
46	BD(1)C13(C8) 13s(36.03%)p1.77(63.79%)d0.00(0.18%)	0.997429858	-0.007929115 Hartree
47	BD(2)C8(C13) 8s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.978054358	-0.104930273 Hartree
48	BD(2)C13(C8) 13s(0.00%)p1.00(99.97%)d0.00(0.03%)	1.003733207	-0.114428597 Hartree
49	BD(1)C9(C10) 9s(36.44%)p1.74(63.43%)d0.00(0.13%)	1.004249914	-0.016659294 Hartree
50	BD(1)C10(C9) 10s(36.11%)p1.77(63.77%)d0.00(0.12%)	0.990336134	-0.011815053 Hartree
51	BD(2)C9(C10) 9s(0.00%)p1.00(99.97%)d0.00(0.03%)	1.004671291	-0.116140071 Hartree
52	BD(2)C10(C9) 10s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.994849373	-0.113955098 Hartree
53	BD(1)C9(H18) 9s(27.52%)p2.63(72.44%)d0.00(0.04%)	1.204472541	-0.127258646 Hartree
54	BD(1)H18(C9) 18s(99.93%)p0.00(0.07%)	0.791215002	0.077755087 Hartree
55	BD(1)C10(C11) 10s(35.93%)p1.78(63.97%)d0.00(0.11%)	0.998157867	-0.017114107 Hartree
56	BD(1)C11(C10) 11s(35.84%)p1.79(64.04%)d0.00(0.12%)	0.996434385	-0.014944957 Hartree
57	BD(1)C10(H17) 10s(27.80%)p2.60(72.16%)d0.00(0.04%)	1.208505451	-0.130283252 Hartree
58	BD(1)H17(C10) 17s(99.94%)p0.00(0.06%)	0.786744069	0.078877058 Hartree
59	BD(1)C11(C12) 11s(35.84%)p1.79(64.04%)d0.00(0.12%)	0.996434385	-0.014944957 Hartree
60	BD(1)C12(C11) 12s(35.93%)p1.78(63.97%)d0.00(0.11%)	0.998157867	-0.017114107 Hartree
61	BD(2)C11(C12) 11s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.999045219	-0.114175617 Hartree
62	BD(2)C12(C11) 12s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.994895394	-0.113778494 Hartree
63	BD(1)C11(H16) 11s(28.16%)p2.55(71.80%)d0.00(0.04%)	1.209062475	-0.130685137 Hartree
64	BD(1)H16(C11) 16s(99.94%)p0.00(0.06%)	0.786565795	0.079071494 Hartree
65	BD(1)C12(C13) 12s(36.11%)p1.77(63.77%)d0.00(0.12%)	0.990336134	-0.011815053 Hartree
66	BD(1)C13(C12) 13s(36.44%)p1.74(63.43%)d0.00(0.13%)	1.004249914	-0.016659293 Hartree
67	BD(1)C12(H15) 12s(27.80%)p2.60(72.16%)d0.00(0.04%)	1.208505451	-0.130283251 Hartree
68	BD(1)H15(C12) 15s(99.94%)p0.00(0.06%)	0.786744069	0.078877058 Hartree
69	BD(1)C13(H14) 13s(27.52%)p2.63(72.44%)d0.00(0.04%)	1.204472541	-0.127258646 Hartree
70	BD(1)H14(C13) 14s(99.93%)p0.00(0.07%)	0.791215002	0.077755087 Hartree
71	RY(1)C1 s(0.71%)p99.99(87.01%)d17.34(12.28%)	0.006602451	1.408087120 Hartree
72	RY(2)C1 s(4.93%)p19.03(93.73%)d0.27(1.34%)	0.001290083	2.277739144 Hartree
73	RY(3)C1 s(0.00%)p1.00(63.13%)d0.58(36.87%)	0.001234862	0.629439156 Hartree
74	RY(4)C1 s(2.81%)p27.30(76.60%)d7.34(20.60%)	0.000737061	1.751882848 Hartree
75	RY(5)C1 s(0.00%)p1.00(28.48%)d2.51(71.52%)	0.000588123	1.596554998 Hartree
76	RY(6)C1 s(35.17%)p0.38(13.39%)d1.46(51.44%)	0.000368419	2.257099559 Hartree
77	RY(7)C1 s(10.65%)p2.39(25.48%)d6.00(63.87%)	0.000225313	2.996865182 Hartree
78	RY(8)C1 s(1.92%)p5.64(10.80%)d45.55(87.28%)	0.000107040	2.673201407 Hartree
79	RY(9)C1 s(27.45%)p1.91(52.53%)d0.73(20.02%)	0.000062685	3.649415316 Hartree
80	RY(10)C1 s(33.49%)p1.45(48.66%)d0.53(17.85%)	0.000024313	5.458208020 Hartree
81	RY(11)C1 s(0.00%)p1.00(33.41%)d1.99(66.59%)	0.000022871	2.097034335 Hartree
82	RY(12)C1 s(10.24%)p1.34(13.75%)d7.42(76.00%)	0.000012000	3.034992362 Hartree
83	RY(13)C1 s(26.91%)p1.95(52.58%)d0.76(20.51%)	0.000008769	2.939912583 Hartree
84	RY(14)C1 s(54.27%)p0.66(35.99%)d0.18(9.74%)	0.000004045	2.765106239 Hartree
85	RY(15)C1 s(21.21%)p1.72(36.40%)d2.00(42.39%)	0.000001570	3.665490138 Hartree
86	RY(16)C1 s(12.77%)p1.43(18.28%)d5.40(68.95%)	0.000001108	3.456070523 Hartree
87	RY(17)C1 s(0.00%)p1.00(13.13%)d6.62(86.87%)	0.000001928	1.614947844 Hartree
88	RY(18)C1 s(0.00%)p1.00(77.06%)d0.30(22.94%)	0.000000000	1.637160707 Hartree
89	RY(19)C1 s(0.00%)p1.00(20.00%)d4.00(80.00%)	0.000000000	3.293358004 Hartree
90	RY(20)C1 s(0.00%)p1.00(64.84%)d0.54(35.16%)	0.000000007	1.808581324 Hartree
91	RY(21)C1 s(4.98%)p2.39(11.92%)d16.67(83.10%)	0.000000410	3.804686403 Hartree
92	RY(22)C1 s(52.66%)p0.44(22.99%)d0.46(24.35%)	0.000000722	8.487780692 Hartree
93	RY(1)C2 s(0.30%)p99.99(90.16%)d32.16(9.54%)	0.005749350	1.354751263 Hartree
94	RY(2)C2 s(0.00%)p1.00(95.72%)d0.04(4.28%)	0.002010071	0.282457501 Hartree
95	RY(3)C2 s(0.00%)p1.00(99.43%)d0.01(0.57%)	0.001543061	1.339438762 Hartree
96	RY(4)C2 s(42.47%)p0.06(2.72%)d1.29(54.81%)	0.000690798	1.839996049 Hartree
97	RY(5)C2 s(0.00%)p1.00(60.81%)d0.64(39.19%)	0.000430656	1.675152283 Hartree
98	RY(6)C2 s(0.00%)p1.00(0.12%)d99.99(99.88%)	0.000423449	2.466401012 Hartree
99	RY(7)C2 s(0.00%)p1.00(53.81%)d0.86(46.19%)	0.000119607	3.330842060 Hartree
100	RY(8)C2 s(36.87%)p0.61(22.37%)d1.11(40.76%)	0.000103114	2.009373467 Hartree
101	RY(9)C2 s(12.04%)p3.95(47.53%)d3.36(40.43%)	0.000083602	3.174430524 Hartree
102	RY(10)C2 s(0.00%)p1.00(74.80%)d0.34(25.20%)	0.000067629	0.581051444 Hartree
103	RY(11)C2 s(30.53%)p0.78(23.96%)d1.49(45.50%)	0.000009391	5.035281051 Hartree
104	RY(12)C2 s(0.00%)p1.00(7.52%)d12.29(92.48%)	0.000006098	2.987179089 Hartree
105	RY(13)C2 s(42.56%)p0.39(16.52%)d0.96(40.92%)	0.000002498	1.721980869 Hartree
106	RY(14)C2 s(0.00%)p1.00(78.51%)d0.27(21.49%)	0.000002502	2.756888115 Hartree
107	RY(15)C2 s(10.94%)p5.27(57.62%)d2.87(31.44%)	0.000000944	3.645024943 Hartree
108	RY(16)C2 s(0.00%)p1.00(98.49%)d0.02(1.51%)	0.000000000	2.784690332 Hartree
109	RY(17)C2 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000328	2.064976458 Hartree
110	RY(18)C2 s(0.00%)p1.00(28.50%)d2.51(71.50%)	0.000000040	1.265818138 Hartree
111	RY(19)C2 s(0.00%)p1.00(2.42%)d40.35(97.58%)	0.000000000	3.232952823 Hartree
112	RY(20)C2 s(30.07%)p0.73(22.06%)d1.59(47.87%)	0.000000152	4.723488610 Hartree
113	RY(21)C2 s(32.03%)p0.32(10.14%)d1.81(57.83%)	0.000000340	5.416400787 Hartree
114	RY(22)C2 s(62.36%)p0.11(6.94%)d0.49(30.70%)	0.000000101	14.023999142 Hartree
115	RY(1)C3 s(0.71%)p99.99(87.01%)d17.34(12.28%)	0.006602451	1.408087134 Hartree
116	RY(2)C3 s(4.93%)p19.03(93.73%)d0.27(1.34%)	0.001290083	2.277739188 Hartree
117	RY(3)C3 s(0.00%)p1.00(68.52%)d0.46(31.48%)	0.001134138	0.548210949 Hartree
118	RY(4)C3 s(2.81%)p27.30(76.60%)d7.34(20.60%)	0.000737061	1.751882819 Hartree
119	RY(5)C3 s(0.00%)p1.00(22.92%)d3.36(77.08%)	0.000642771	1.683479571 Hartree
120	RY(6)C3 s(35.17%)p0.38(13.39%)d1.46(51.44%)	0.000368419	2.257099533 Hartree
121	RY(7)C3 s(10.65%)p2.39(25.48%)d6.00(63.87%)	0.000225313	2.996865176 Hartree
122	RY(8)C3 s(1.92%)p5.64(10.80%)d45.55(87.28%)	0.000107040	2.673201208 Hartree
123	RY(9)C3 s(27.45%)p1.91(52.53%)d0.73(20.02%)	0.000062685	3.649415492 Hartree
124	RY(10)C3 s(33.49%)p1.45(48.66%)d0.53(17.85%)	0.000024313	5.458204291 Hartree
125	RY(11)C3 s(0.00%)p1.00(33.58%)d1.98(66.42%)	0.000022927	2.091833303 Hartree
126	RY(12)C3 s(10.24%)p1.34(13.75%)d7.42(76.00%)	0.000012000	3.034995149 Hartree
127	RY(13)C3 s(26.91%)p1.95(52.58%)d0.76(20.51%)	0.000008769	2.939930948 Hartree
128	RY(14)C3 s(54.27%)p0.66(35.99%)d0.18(9.74%)	0.000004045	2.765081560 Hartree
129	RY(15)C3 s(0.00%)p1.00(13.13%)d6.62(86.87%)	0.000001928	1.614262513 Hartree
130	RY(16)C3 s(21.21%)p1.72(36.40%)d2.00(42.39%)	0.000001570	3.665388164 Hartree
131	RY(17)C3 s(12.77%)p1.43(18.28%)d5.40(68.95%)	0.000001108	3.455999372 Hartree
132	RY(18)C3 s(0.00%)p1.00(71.88%)d0.39(28.12%)	0.000000000	1.668084352 Hartree
133	RY(19)C3 s(0.00%)p1.00(25.18%)d2.97(74.82%)	0.000000000	3.262431904 Hartree
134	RY(20)C3 s(4.98%)p2.39(11.92%)d16.67(83.10%)	0.000000410	3.804673875 Hartree
135	RY(21)C3 s(0.00%)p1.00(64.84%)d0.54(35.16%)	0.000000007	1.808597173 Hartree
136	RY(22)C3 s(52.66%)p0.44(22.99%)d0.46(24.35%)	0.000000722	8.487981889 Hartree
137	RY(1)C4 s(2.95%)p31.99(94.52%)d0.86(2.53%)	0.013561791	0.993295398 Hartree
138	RY(2)C4 s(0.00%)p1.00(96.24%)d0.04(3.76%)	0.008454015	0.289362373 Hartree
139	RY(3)C4 s(6.04%)p13.71(82.78%)d1.85(11.18%)	0.003430287	1.353453036 Hartree
140	RY(4)C4 s(24.86%)p2.77(68.74%)d0.26(6.40%)	0.001085222	1.281662270 Hartree
141	RY(5)C4 s(44.80%)p0.65(29.31%)d0.58(25.89%)	0.000775520	1.622220151 Hartree
142	RY(6)C4 s(0.00%)p1.00(45.86%)d1.18(54.14%)	0.000416031	1.211392639 Hartree
143	RY(7)C4 s(0.62%)p99.99(63.26%)d58.19(36.12%)	0.000244949	3.079867414 Hartree
144	RY(8)C4 s(12.79%)p1.33(17.01%)d5.49(70.21%)	0.000143322	2.177654859 Hartree
145	RY(9)C4 s(0.00%)p1.00(22.58%)d3.43(77.42%)	0.000093995	2.360973315 Hartree
146	RY(10)C4 s(10.56%)p1.21(12.81%)d7.26(76.63%)	0.000048176	2.798567885 Hartree
147	RY(11)C4 s(4.85%)p8.57(41.55%)d11.06(53.60%)	0.000039560	2.538870126 Hartree
148	RY(12)C4 s(11.59%)p4.11(47.63%)d3.52(40.78%)	0.000017397	3.919516060 Hartree
149	RY(13)C4 s(12.21%)p1.84(22.42%)d5.35(65.36%)	0.000011869	3.861282335 Hartree
150	RY(14)C4 s(0.00%)p1.00(35.18%)d1.84(64.82%)	0.000010606	1.051850630 Hartree
151	RY(15)C4 s(20.70%)p2.49(51.53%)d1.34(27.77%)	0.000008034	4.323105345 Hartree
152	RY(16)C4 s(19.32%)p1.89(36.42%)d2.29(44.26%)	0.000006477	5.370011018 Hartree
153	RY(17)C4 s(0.00%)p1.00(0.82%)d99.99(99.18%)	0.000001822	1.666418552 Hartree
154	RY(18)C4 s(75.33%)p0.03(2.56%)d0.29(22.11%)	0.000000486	6.013448242 Hartree
155	RY(19)C4 s(0.00%)p1.00(98.02%)d0.02(1.98%)	0.000000000	2.927225215 Hartree
156	RY(20)C4 s(0.00%)p1.00(1.33%)d73.95(98.67%)	0.000000000	3.320166025 Hartree
157	RY(21)C4 s(9.70%)p0.86(8.33%)d8.45(81.97%)	0.000000891	4.451934124 Hartree
158	RY(22)C4 s(43.69%)p0.49(21.45%)d0.80(34.85%)	0.000001849	6.565330311 Hartree
159	RY(1)C5 s(15.47%)p5.43(84.00%)d0.03(0.53%)	0.002699075	1.516701624 Hartree
160	RY(2)C5 s(0.00%)p1.00(75.59%)d0.32(24.41%)	0.002290076	2.091774558 Hartree
161	RY(3)C5 s(0.00%)p1.00(24.08%)d3.15(75.92%)	0.001196626	3.175534078 Hartree
162	RY(4)C5 s(9.73%)p0.19(1.83%)d9.09(88.44%)	0.001128525	2.971850364 Hartree
163	RY(5)C5 s(0.00%)p1.00(0.18%)d99.99(99.82%)	0.000513314	2.360800600 Hartree
164	RY(6)C5 s(61.77%)p0.33(20.12%)d0.29(18.10%)	0.000436886	2.797313094 Hartree
165	RY(7)C5 s(0.00%)p1.00(1.97%)d49.76(98.03%)	0.000406493	2.016845719 Hartree
166	RY(8)C5 s(2.07%)p0.43(0.89%)d46.97(97.04%)	0.000287077	2.065828918 Hartree
167	RY(9)C5 s(0.00%)p1.00(24.59%)d3.07(75.41%)	0.000092358	3.445802781 Hartree
168	RY(10)C5 s(5.55%)p0.43(2.39%)d16.57(92.05%)	0.000058682	3.017788955 Hartree
169	RY(11)C5 s(0.00%)p1.00(11.30%)d7.85(88.70%)	0.000043390	2.485569105 Hartree
170	RY(12)C5 s(7.32%)p11.68(85.42%)d0.99(7.27%)	0.000027761	3.403024071 Hartree
171	RY(13)C5 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000020990	2.279572501 Hartree
172	RY(14)C5 s(0.00%)p1.00(75.82%)d0.32(24.18%)	0.000014306	2.867778652 Hartree
173	RY(15)C5 s(0.00%)p1.00(88.91%)d0.12(11.09%)	0.000007467	0.937518463 Hartree
174	RY(16)C5 s(14.03%)p0.36(5.03%)d5.77(80.94%)	0.000001727	6.652457883 Hartree
175	RY(17)C5 s(84.51%)p0.00(0.34%)d0.18(15.15%)	0.000000253	15.128523965 Hartree
176	RY(18)C5 s(0.00%)p1.00(97.69%)d0.02(2.31%)	0.000000000	2.883482628 Hartree
177	RY(1)C6 s(2.95%)p31.99(94.52%)d0.86(2.53%)	0.013561791	0.993295400 Hartree
178	RY(2)C6 s(0.00%)p1.00(96.22%)d0.04(3.78%)	0.007475815	0.291556295 Hartree
179	RY(3)C6 s(6.04%)p13.71(82.78%)d1.85(11.18%)	0.003430287	1.353453034 Hartree
180	RY(4)C6 s(24.86%)p2.77(68.74%)d0.26(6.40%)	0.001085222	1.281662301 Hartree
181	RY(5)C6 s(44.80%)p0.65(29.31%)d0.58(25.89%)	0.000775520	1.622220124 Hartree
182	RY(6)C6 s(0.00%)p1.00(44.55%)d1.24(55.45%)	0.000454645	1.255941829 Hartree
183	RY(7)C6 s(0.62%)p99.99(63.26%)d58.19(36.12%)	0.000244949	3.079867297 Hartree
184	RY(8)C6 s(12.79%)p1.33(17.01%)d5.49(70.21%)	0.000143322	2.177654907 Hartree
185	RY(9)C6 s(0.00%)p1.00(23.90%)d3.18(76.10%)	0.000095491	2.319665319 Hartree
186	RY(10)C6 s(10.56%)p1.21(12.81%)d7.26(76.63%)	0.000048176	2.798567757 Hartree
187	RY(11)C6 s(4.85%)p8.57(41.55%)d11.06(53.60%)	0.000039560	2.538869597 Hartree
188	RY(12)C6 s(11.59%)p4.11(47.63%)d3.52(40.78%)	0.000017397	3.919515364 Hartree
189	RY(13)C6 s(12.21%)p1.84(22.42%)d5.35(65.36%)	0.000011869	3.861282719 Hartree
190	RY(14)C6 s(0.00%)p1.00(35.19%)d1.84(64.81%)	0.000010609	1.050609264 Hartree
191	RY(15)C6 s(20.70%)p2.49(51.53%)d1.34(27.77%)	0.000008034	4.323102701 Hartree
192	RY(16)C6 s(19.32%)p1.89(36.42%)d2.29(44.26%)	0.000006477	5.370014914 Hartree
193	RY(17)C6 s(0.00%)p1.00(0.82%)d99.99(99.18%)	0.000001825	1.663936275 Hartree
194	RY(18)C6 s(75.34%)p0.03(2.56%)d0.29(22.11%)	0.000000486	6.013366516 Hartree
195	RY(19)C6 s(0.00%)p1.00(98.04%)d0.02(1.96%)	0.000000000	2.929074040 Hartree
196	RY(20)C6 s(0.00%)p1.00(1.32%)d74.88(98.68%)	0.000000000	3.318317199 Hartree
197	RY(21)C6 s(9.70%)p0.86(8.33%)d8.45(81.97%)	0.000000891	4.451862148 Hartree
198	RY(22)C6 s(43.69%)p0.49(21.45%)d0.80(34.85%)	0.000001849	6.565479914 Hartree
199	RY(1)H7 s(96.23%)p0.04(3.77%)	0.001757408	0.868406537 Hartree
200	RY(2)H7 s(0.00%)p1.00(100.00%)	0.000175423	1.851299257 Hartree
201	RY(3)H7 s(85.06%)p0.18(14.94%)	0.000157783	2.523838632 Hartree
202	RY(4)H7 s(0.38%)p99.99(99.62%)	0.000087227	2.350509663 Hartree
203	RY(5)H7 s(18.40%)p4.44(81.60%)	0.000062691	2.351472810 Hartree
204	RY(1)C8 s(15.47%)p5.43(84.00%)d0.03(0.53%)	0.002699075	1.516701609 Hartree
205	RY(2)C8 s(0.00%)p1.00(75.59%)d0.32(24.41%)	0.002290076	2.091774558 Hartree
206	RY(3)C8 s(0.00%)p1.00(24.08%)d3.15(75.92%)	0.001196626	3.175534077 Hartree
207	RY(4)C8 s(9.73%)p0.19(1.83%)d9.09(88.44%)	0.001128525	2.971850365 Hartree
208	RY(5)C8 s(0.00%)p1.00(0.18%)d99.99(99.82%)	0.000513314	2.360800600 Hartree
209	RY(6)C8 s(61.77%)p0.33(20.12%)d0.29(18.10%)	0.000436886	2.797313136 Hartree
210	RY(7)C8 s(0.00%)p1.00(1.97%)d49.76(98.03%)	0.000406493	2.016845719 Hartree
211	RY(8)C8 s(2.07%)p0.43(0.89%)d46.97(97.04%)	0.000287077	2.065828932 Hartree
212	RY(9)C8 s(0.00%)p1.00(24.59%)d3.07(75.41%)	0.000092358	3.445802778 Hartree
213	RY(10)C8 s(5.55%)p0.43(2.39%)d16.57(92.05%)	0.000058682	3.017788961 Hartree
214	RY(11)C8 s(0.00%)p1.00(11.30%)d7.85(88.70%)	0.000043390	2.485569105 Hartree
215	RY(12)C8 s(7.32%)p11.68(85.42%)d0.99(7.27%)	0.000027761	3.403024075 Hartree
216	RY(13)C8 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000020990	2.279572501 Hartree
217	RY(14)C8 s(0.00%)p1.00(75.82%)d0.32(24.18%)	0.000014306	2.867778652 Hartree
218	RY(15)C8 s(0.00%)p1.00(88.91%)d0.12(11.09%)	0.000007467	0.937518463 Hartree
219	RY(16)C8 s(14.03%)p0.36(5.03%)d5.77(80.94%)	0.000001727	6.652456107 Hartree
220	RY(17)C8 s(84.51%)p0.00(0.34%)d0.18(15.15%)	0.000000253	15.128525880 Hartree
221	RY(18)C8 s(0.00%)p1.00(97.69%)d0.02(2.31%)	0.000000000	2.883482628 Hartree
222	RY(1)C9 s(2.95%)p31.99(94.52%)d0.86(2.53%)	0.013561791	0.993295379 Hartree
223	RY(2)C9 s(0.00%)p1.00(96.22%)d0.04(3.78%)	0.007475815	0.291556295 Hartree
224	RY(3)C9 s(6.04%)p13.71(82.78%)d1.85(11.18%)	0.003430287	1.353453036 Hartree
225	RY(4)C9 s(24.86%)p2.77(68.74%)d0.26(6.40%)	0.001085222	1.281662216 Hartree
226	RY(5)C9 s(44.80%)p0.65(29.31%)d0.58(25.89%)	0.000775520	1.622220118 Hartree
227	RY(6)C9 s(0.00%)p1.00(44.55%)d1.24(55.45%)	0.000454645	1.255941829 Hartree
228	RY(7)C9 s(0.62%)p99.99(63.26%)d58.19(36.12%)	0.000244949	3.079867364 Hartree
229	RY(8)C9 s(12.79%)p1.33(17.01%)d5.49(70.21%)	0.000143322	2.177654786 Hartree
230	RY(9)C9 s(0.00%)p1.00(23.90%)d3.18(76.10%)	0.000095491	2.319665319 Hartree
231	RY(10)C9 s(10.56%)p1.21(12.81%)d7.26(76.63%)	0.000048176	2.798567872 Hartree
232	RY(11)C9 s(4.85%)p8.57(41.55%)d11.06(53.60%)	0.000039560	2.538869731 Hartree
233	RY(12)C9 s(11.59%)p4.11(47.63%)d3.52(40.78%)	0.000017397	3.919514878 Hartree
234	RY(13)C9 s(12.21%)p1.84(22.42%)d5.35(65.36%)	0.000011869	3.861279051 Hartree
235	RY(14)C9 s(0.00%)p1.00(35.19%)d1.84(64.81%)	0.000010609	1.050609264 Hartree
236	RY(15)C9 s(20.70%)p2.49(51.53%)d1.34(27.77%)	0.000008034	4.323107517 Hartree
237	RY(16)C9 s(19.32%)p1.89(36.42%)d2.29(44.26%)	0.000006477	5.370018609 Hartree
238	RY(17)C9 s(0.00%)p1.00(0.82%)d99.99(99.18%)	0.000001825	1.663936275 Hartree
239	RY(18)C9 s(75.33%)p0.03(2.56%)d0.29(22.11%)	0.000000486	6.013392444 Hartree
240	RY(19)C9 s(0.00%)p1.00(98.04%)d0.02(1.96%)	0.000000000	2.929074040 Hartree
241	RY(20)C9 s(0.00%)p1.00(1.32%)d74.88(98.68%)	0.000000000	3.318317199 Hartree
242	RY(21)C9 s(9.70%)p0.86(8.33%)d8.45(81.97%)	0.000000891	4.452055657 Hartree
243	RY(22)C9 s(43.70%)p0.49(21.45%)d0.80(34.85%)	0.000001849	6.565237721 Hartree
244	RY(1)C10 s(0.71%)p99.99(87.01%)d17.34(12.28%)	0.006602451	1.408087122 Hartree
245	RY(2)C10 s(4.93%)p19.03(93.73%)d0.27(1.34%)	0.001290083	2.277739101 Hartree
246	RY(3)C10 s(0.00%)p1.00(63.13%)d0.58(36.87%)	0.001234862	0.629439156 Hartree
247	RY(4)C10 s(2.81%)p27.30(76.60%)d7.34(20.60%)	0.000737061	1.751882795 Hartree
248	RY(5)C10 s(0.00%)p1.00(28.48%)d2.51(71.52%)	0.000588123	1.596554998 Hartree
249	RY(6)C10 s(35.17%)p0.38(13.39%)d1.46(51.44%)	0.000368419	2.257099566 Hartree
250	RY(7)C10 s(10.65%)p2.39(25.48%)d6.00(63.87%)	0.000225313	2.996865136 Hartree
251	RY(8)C10 s(1.92%)p5.64(10.80%)d45.55(87.28%)	0.000107040	2.673201117 Hartree
252	RY(9)C10 s(27.45%)p1.91(52.53%)d0.73(20.02%)	0.000062685	3.649415566 Hartree
253	RY(10)C10 s(33.49%)p1.45(48.66%)d0.53(17.85%)	0.000024313	5.458209806 Hartree
254	RY(11)C10 s(0.00%)p1.00(33.41%)d1.99(66.59%)	0.000022871	2.097034335 Hartree
255	RY(12)C10 s(10.24%)p1.34(13.75%)d7.42(76.00%)	0.000012000	3.034993302 Hartree
256	RY(13)C10 s(26.91%)p1.95(52.58%)d0.76(20.51%)	0.000008769	2.939926392 Hartree
257	RY(14)C10 s(54.27%)p0.66(35.99%)d0.18(9.74%)	0.000004045	2.765087533 Hartree
258	RY(15)C10 s(21.21%)p1.72(36.40%)d2.00(42.39%)	0.000001570	3.665459490 Hartree
259	RY(16)C10 s(12.77%)p1.43(18.28%)d5.40(68.95%)	0.000001108	3.456071912 Hartree
260	RY(17)C10 s(0.00%)p1.00(13.13%)d6.62(86.87%)	0.000001928	1.614947842 Hartree
261	RY(18)C10 s(0.00%)p1.00(77.06%)d0.30(22.94%)	0.000000000	1.637159271 Hartree
262	RY(19)C10 s(0.00%)p1.00(20.00%)d4.00(80.00%)	0.000000000	3.293358031 Hartree
263	RY(20)C10 s(0.00%)p1.00(64.84%)d0.54(35.16%)	0.000000007	1.808582735 Hartree
264	RY(21)C10 s(4.98%)p2.39(11.92%)d16.68(83.10%)	0.000000410	3.804668366 Hartree
265	RY(22)C10 s(52.66%)p0.44(22.99%)d0.46(24.35%)	0.000000722	8.487822236 Hartree
266	RY(1)C11 s(0.30%)p99.99(90.16%)d32.16(9.54%)	0.005749350	1.354751261 Hartree
267	RY(2)C11 s(0.00%)p1.00(95.72%)d0.04(4.28%)	0.002010071	0.282457501 Hartree
268	RY(3)C11 s(0.00%)p1.00(99.43%)d0.01(0.57%)	0.001543061	1.339438758 Hartree
269	RY(4)C11 s(42.47%)p0.06(2.72%)d1.29(54.81%)	0.000690798	1.839996022 Hartree
270	RY(5)C11 s(0.00%)p1.00(60.81%)d0.64(39.19%)	0.000430656	1.675152309 Hartree
271	RY(6)C11 s(0.00%)p1.00(0.12%)d99.99(99.88%)	0.000423449	2.466401012 Hartree
272	RY(7)C11 s(0.00%)p1.00(53.81%)d0.86(46.19%)	0.000119607	3.330842088 Hartree
273	RY(8)C11 s(36.87%)p0.61(22.37%)d1.11(40.76%)	0.000103114	2.009373140 Hartree
274	RY(9)C11 s(12.04%)p3.95(47.53%)d3.36(40.43%)	0.000083602	3.174430498 Hartree
275	RY(10)C11 s(0.00%)p1.00(74.80%)d0.34(25.20%)	0.000067629	0.581051444 Hartree
276	RY(11)C11 s(30.53%)p0.78(23.96%)d1.49(45.50%)	0.000009391	5.035282264 Hartree
277	RY(12)C11 s(0.00%)p1.00(7.52%)d12.29(92.48%)	0.000006098	2.987179137 Hartree
278	RY(13)C11 s(42.56%)p0.39(16.52%)d0.96(40.92%)	0.000002498	1.721981639 Hartree
279	RY(14)C11 s(0.00%)p1.00(78.51%)d0.27(21.49%)	0.000002502	2.756888069 Hartree
280	RY(15)C11 s(10.94%)p5.27(57.62%)d2.87(31.44%)	0.000000944	3.645024049 Hartree
281	RY(16)C11 s(0.00%)p1.00(98.49%)d0.02(1.51%)	0.000000000	2.784690298 Hartree
282	RY(17)C11 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000328	2.064976458 Hartree
283	RY(18)C11 s(0.00%)p1.00(28.50%)d2.51(71.50%)	0.000000040	1.265818227 Hartree
284	RY(19)C11 s(0.00%)p1.00(2.42%)d40.35(97.58%)	0.000000000	3.232952768 Hartree
285	RY(20)C11 s(30.07%)p0.73(22.06%)d1.59(47.86%)	0.000000152	4.723651583 Hartree
286	RY(21)C11 s(32.03%)p0.32(10.14%)d1.81(57.83%)	0.000000340	5.416398215 Hartree
287	RY(22)C11 s(62.36%)p0.11(6.94%)d0.49(30.70%)	0.000000101	14.023837460 Hartree
288	RY(1)C12 s(0.71%)p99.99(87.01%)d17.34(12.28%)	0.006602451	1.408087124 Hartree
289	RY(2)C12 s(4.93%)p19.03(93.73%)d0.27(1.34%)	0.001290083	2.277739177 Hartree
290	RY(3)C12 s(0.00%)p1.00(68.52%)d0.46(31.48%)	0.001134138	0.548210949 Hartree
291	RY(4)C12 s(2.81%)p27.30(76.60%)d7.34(20.60%)	0.000737061	1.751882810 Hartree
292	RY(5)C12 s(0.00%)p1.00(22.92%)d3.36(77.08%)	0.000642771	1.683479571 Hartree
293	RY(6)C12 s(35.17%)p0.38(13.39%)d1.46(51.44%)	0.000368419	2.257099559 Hartree
294	RY(7)C12 s(10.65%)p2.39(25.48%)d6.00(63.87%)	0.000225313	2.996865170 Hartree
295	RY(8)C12 s(1.92%)p5.64(10.80%)d45.55(87.28%)	0.000107040	2.673201249 Hartree
296	RY(9)C12 s(27.45%)p1.91(52.53%)d0.73(20.02%)	0.000062685	3.649413950 Hartree
297	RY(10)C12 s(33.49%)p1.45(48.66%)d0.53(17.85%)	0.000024313	5.458203598 Hartree
298	RY(11)C12 s(0.00%)p1.00(33.58%)d1.98(66.42%)	0.000022927	2.091833304 Hartree
299	RY(12)C12 s(10.24%)p1.34(13.75%)d7.42(76.00%)	0.000012000	3.034994217 Hartree
300	RY(13)C12 s(26.91%)p1.95(52.58%)d0.76(20.51%)	0.000008769	2.939917732 Hartree
301	RY(14)C12 s(54.27%)p0.66(35.99%)d0.18(9.74%)	0.000004045	2.765093011 Hartree
302	RY(15)C12 s(0.00%)p1.00(13.13%)d6.62(86.87%)	0.000001928	1.614262512 Hartree
303	RY(16)C12 s(21.21%)p1.72(36.40%)d2.00(42.39%)	0.000001570	3.665413222 Hartree
304	RY(17)C12 s(12.77%)p1.43(18.28%)d5.40(68.95%)	0.000001108	3.456011090 Hartree
305	RY(18)C12 s(0.00%)p1.00(71.88%)d0.39(28.12%)	0.000000000	1.668087158 Hartree
306	RY(19)C12 s(0.00%)p1.00(25.18%)d2.97(74.82%)	0.000000000	3.262432104 Hartree
307	RY(20)C12 s(4.98%)p2.39(11.92%)d16.67(83.10%)	0.000000410	3.804669195 Hartree
308	RY(21)C12 s(0.00%)p1.00(64.84%)d0.54(35.16%)	0.000000007	1.808594167 Hartree
309	RY(22)C12 s(52.66%)p0.44(22.99%)d0.46(24.35%)	0.000000722	8.487953058 Hartree
310	RY(1)C13 s(2.95%)p31.99(94.52%)d0.86(2.53%)	0.013561791	0.993295389 Hartree
311	RY(2)C13 s(0.00%)p1.00(96.24%)d0.04(3.76%)	0.008454015	0.289362373 Hartree
312	RY(3)C13 s(6.04%)p13.71(82.78%)d1.85(11.18%)	0.003430287	1.353453047 Hartree
313	RY(4)C13 s(24.86%)p2.77(68.74%)d0.26(6.40%)	0.001085222	1.281662271 Hartree
314	RY(5)C13 s(44.80%)p0.65(29.31%)d0.58(25.89%)	0.000775520	1.622220153 Hartree
315	RY(6)C13 s(0.00%)p1.00(45.86%)d1.18(54.14%)	0.000416031	1.211392640 Hartree
316	RY(7)C13 s(0.62%)p99.99(63.26%)d58.19(36.12%)	0.000244949	3.079867472 Hartree
317	RY(8)C13 s(12.79%)p1.33(17.01%)d5.49(70.21%)	0.000143322	2.177654877 Hartree
318	RY(9)C13 s(0.00%)p1.00(22.58%)d3.43(77.42%)	0.000093995	2.360973314 Hartree
319	RY(10)C13 s(10.56%)p1.21(12.81%)d7.26(76.63%)	0.000048176	2.798569700 Hartree
320	RY(11)C13 s(4.85%)p8.57(41.55%)d11.06(53.60%)	0.000039560	2.538869989 Hartree
321	RY(12)C13 s(11.59%)p4.11(47.63%)d3.52(40.78%)	0.000017397	3.919514602 Hartree
322	RY(13)C13 s(12.21%)p1.84(22.42%)d5.35(65.36%)	0.000011869	3.861280575 Hartree
323	RY(14)C13 s(0.00%)p1.00(35.18%)d1.84(64.82%)	0.000010606	1.051850629 Hartree
324	RY(15)C13 s(20.70%)p2.49(51.53%)d1.34(27.77%)	0.000008034	4.323096389 Hartree
325	RY(16)C13 s(19.32%)p1.89(36.42%)d2.29(44.26%)	0.000006477	5.370028703 Hartree
326	RY(17)C13 s(0.00%)p1.00(0.82%)d99.99(99.18%)	0.000001822	1.666418552 Hartree
327	RY(18)C13 s(75.33%)p0.03(2.56%)d0.29(22.11%)	0.000000486	6.013491726 Hartree
328	RY(19)C13 s(0.00%)p1.00(98.02%)d0.02(1.98%)	0.000000000	2.927225215 Hartree
329	RY(20)C13 s(0.00%)p1.00(1.33%)d73.95(98.67%)	0.000000000	3.320166025 Hartree
330	RY(21)C13 s(9.70%)p0.86(8.33%)d8.45(81.97%)	0.000000891	4.452181690 Hartree
331	RY(22)C13 s(43.70%)p0.49(21.45%)d0.80(34.85%)	0.000001849	6.565034285 Hartree
332	RY(1)H14 s(96.23%)p0.04(3.77%)	0.001757408	0.868406546 Hartree
333	RY(2)H14 s(0.00%)p1.00(100.00%)	0.000175423	1.851299257 Hartree
334	RY(3)H14 s(85.06%)p0.18(14.94%)	0.000157783	2.523838632 Hartree
335	RY(4)H14 s(0.38%)p99.99(99.62%)	0.000087227	2.350509662 Hartree
336	RY(5)H14 s(18.40%)p4.44(81.60%)	0.000062691	2.351472810 Hartree
337	RY(1)H15 s(85.06%)p0.18(14.94%)	0.000599086	1.427064885 Hartree
338	RY(2)H15 s(67.50%)p0.48(32.50%)	0.000117978	2.319133649 Hartree
339	RY(3)H15 s(0.00%)p1.00(100.00%)	0.000084156	1.847088394 Hartree
340	RY(4)H15 s(0.25%)p99.99(99.75%)	0.000050312	2.280525291 Hartree
341	RY(5)H15 s(47.25%)p1.12(52.75%)	0.000026762	2.220237590 Hartree
342	RY(1)H16 s(89.20%)p0.12(10.80%)	0.000803028	1.130413349 Hartree
343	RY(2)H16 s(56.26%)p0.78(43.74%)	0.000174757	2.469753533 Hartree
344	RY(3)H16 s(0.00%)p1.00(100.00%)	0.000074414	1.836719185 Hartree
345	RY(4)H16 s(0.00%)p1.00(100.00%)	0.000055885	2.284201196 Hartree
346	RY(5)H16 s(54.61%)p0.83(45.39%)	0.000020023	2.159268890 Hartree
347	RY(1)H17 s(85.06%)p0.18(14.94%)	0.000599086	1.427064884 Hartree
348	RY(2)H17 s(67.50%)p0.48(32.50%)	0.000117978	2.319133649 Hartree
349	RY(3)H17 s(0.00%)p1.00(100.00%)	0.000084156	1.847088394 Hartree
350	RY(4)H17 s(0.25%)p99.99(99.75%)	0.000050312	2.280525291 Hartree
351	RY(5)H17 s(47.25%)p1.12(52.75%)	0.000026762	2.220237590 Hartree
352	RY(1)H18 s(96.23%)p0.04(3.77%)	0.001757408	0.868406541 Hartree
353	RY(2)H18 s(0.00%)p1.00(100.00%)	0.000175423	1.851299257 Hartree
354	RY(3)H18 s(85.06%)p0.18(14.94%)	0.000157783	2.523838633 Hartree
355	RY(4)H18 s(0.38%)p99.99(99.62%)	0.000087227	2.350509663 Hartree
356	RY(5)H18 s(18.40%)p4.44(81.60%)	0.000062691	2.351472810 Hartree
357	RY(1)H19 s(96.23%)p0.04(3.77%)	0.001757408	0.868406537 Hartree
358	RY(2)H19 s(0.00%)p1.00(100.00%)	0.000175423	1.851299257 Hartree
359	RY(3)H19 s(85.06%)p0.18(14.94%)	0.000157783	2.523838633 Hartree
360	RY(4)H19 s(0.38%)p99.99(99.62%)	0.000087227	2.350509663 Hartree
361	RY(5)H19 s(18.40%)p4.44(81.60%)	0.000062691	2.351472810 Hartree
362	RY(1)H20 s(85.06%)p0.18(14.94%)	0.000599086	1.427064887 Hartree
363	RY(2)H20 s(67.50%)p0.48(32.50%)	0.000117978	2.319133649 Hartree
364	RY(3)H20 s(0.00%)p1.00(100.00%)	0.000084156	1.847088394 Hartree
365	RY(4)H20 s(0.25%)p99.99(99.75%)	0.000050312	2.280525291 Hartree
366	RY(5)H20 s(47.25%)p1.12(52.75%)	0.000026762	2.220237590 Hartree
367	RY(1)H21 s(89.20%)p0.12(10.80%)	0.000803028	1.130413352 Hartree
368	RY(2)H21 s(56.26%)p0.78(43.74%)	0.000174757	2.469753533 Hartree
369	RY(3)H21 s(0.00%)p1.00(100.00%)	0.000074414	1.836719185 Hartree
370	RY(4)H21 s(0.00%)p1.00(100.00%)	0.000055885	2.284201196 Hartree
371	RY(5)H21 s(54.61%)p0.83(45.39%)	0.000020023	2.159268890 Hartree
372	RY(1)H22 s(85.06%)p0.18(14.94%)	0.000599086	1.427064881 Hartree
373	RY(2)H22 s(67.50%)p0.48(32.50%)	0.000117978	2.319133648 Hartree
374	RY(3)H22 s(0.00%)p1.00(100.00%)	0.000084156	1.847088394 Hartree
375	RY(4)H22 s(0.25%)p99.99(99.75%)	0.000050312	2.280525291 Hartree
376	RY(5)H22 s(47.25%)p1.12(52.75%)	0.000026762	2.220237589 Hartree
377			********** Hartree
378			********** Hartree
379			********** Hartree
380			********** Hartree
381			********** Hartree
382			********** Hartree
383			********** Hartree
384			********** Hartree

Natural Bond Orbitals

Display Range		- / 384
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	CR(1)C1	1	1.999993611	-10.543875190 Hartree
2	CR(1)C2	2	1.999993641	-10.542897019 Hartree
3	CR(1)C3	3	1.999993611	-10.543875190 Hartree
4	CR(1)C4	4	1.999992966	-10.543962332 Hartree
5	CR(1)C5	5	1.999992827	-10.558515253 Hartree
6	CR(1)C6	6	1.999992966	-10.543962332 Hartree
7	CR(1)C8	7	1.999992827	-10.558515253 Hartree
8	CR(1)C9	8	1.999992966	-10.543962332 Hartree
9	CR(1)C10	9	1.999993611	-10.543875190 Hartree
10	CR(1)C11	10	1.999993641	-10.542897019 Hartree
11	CR(1)C12	11	1.999993611	-10.543875190 Hartree
12	CR(1)C13	12	1.999992966	-10.543962332 Hartree
13	BD(1)C1-C2	13, 14	1.978368113	-0.669049731 Hartree
14	BD(1)C1-C6	15, 16	1.979167486	-0.671158923 Hartree
15	BD(2)C1-C6	17, 18	1.674033767	-0.294547038 Hartree
16	BD(1)C1-H22	19, 20	1.981199776	-0.552569058 Hartree
17	BD(1)C2-C3	21, 22	1.978368113	-0.669049731 Hartree
18	BD(2)C2-C3	23, 24	1.657226622	-0.291887164 Hartree
19	BD(1)C2-H21	25, 26	1.981581966	-0.553872914 Hartree
20	BD(1)C3-C4	27, 28	1.979167486	-0.671158923 Hartree
21	BD(1)C3-H20	29, 30	1.981199776	-0.552569058 Hartree
22	BD(1)C4-C5	31, 32	1.965992368	-0.655425850 Hartree
23	BD(2)C4-C5	33, 34	1.625258445	-0.284805495 Hartree
24	BD(1)C4-H19	35, 36	1.980184634	-0.554535109 Hartree
25	BD(1)C5-C6	37, 38	1.965992368	-0.655425850 Hartree
26	BD(1)C5-C8	39, 40	1.953584401	-0.612066322 Hartree
27	BD(1)C6-H7	41, 42	1.980184634	-0.554535109 Hartree
28	BD(1)C8-C9	43, 44	1.965992368	-0.655425850 Hartree
29	BD(1)C8-C13	45, 46	1.965992368	-0.655425850 Hartree
30	BD(2)C8-C13	47, 48	1.625258445	-0.284805495 Hartree
31	BD(1)C9-C10	49, 50	1.979167486	-0.671158923 Hartree
32	BD(2)C9-C10	51, 52	1.674033767	-0.294547038 Hartree
33	BD(1)C9-H18	53, 54	1.980184634	-0.554535109 Hartree
34	BD(1)C10-C11	55, 56	1.978368113	-0.669049731 Hartree
35	BD(1)C10-H17	57, 58	1.981199776	-0.552569058 Hartree
36	BD(1)C11-C12	59, 60	1.978368113	-0.669049731 Hartree
37	BD(2)C11-C12	61, 62	1.657226622	-0.291887164 Hartree
38	BD(1)C11-H16	63, 64	1.981581966	-0.553872914 Hartree
39	BD(1)C12-C13	65, 66	1.979167486	-0.671158923 Hartree
40	BD(1)C12-H15	67, 68	1.981199776	-0.552569058 Hartree
41	BD(1)C13-H14	69, 70	1.980184634	-0.554535109 Hartree
42	BD*(1)C1-C2		0.016224139	0.636990667 Hartree
43	BD*(1)C1-C6		0.015418562	0.642684576 Hartree
44	BD*(2)C1-C6		0.325486897	0.064451870 Hartree
45	BD*(1)C1-H22		0.014049744	0.501162865 Hartree
46	BD*(1)C2-C3		0.016224139	0.636990667 Hartree
47	BD*(2)C2-C3		0.336713991	0.063933053 Hartree
48	BD*(1)C2-H21		0.014046304	0.502259270 Hartree
49	BD*(1)C3-C4		0.015418562	0.642684576 Hartree
50	BD*(1)C3-H20		0.014049744	0.501162865 Hartree
51	BD*(1)C4-C5		0.020279604	0.628639134 Hartree
52	BD*(2)C4-C5		0.356529120	0.065446625 Hartree
53	BD*(1)C4-H19		0.015502909	0.505031549 Hartree
54	BD*(1)C5-C6		0.020279604	0.628639133 Hartree
55	BD*(1)C5-C8		0.026907689	0.503046493 Hartree
56	BD*(1)C6-H7		0.015502909	0.505031549 Hartree
57	BD*(1)C8-C9		0.020279604	0.628639133 Hartree
58	BD*(1)C8-C13		0.020279604	0.628639134 Hartree
59	BD*(2)C8-C13		0.356529120	0.065446625 Hartree
60	BD*(1)C9-C10		0.015418562	0.642684575 Hartree
61	BD*(2)C9-C10		0.325486897	0.064451870 Hartree
62	BD*(1)C9-H18		0.015502909	0.505031549 Hartree
63	BD*(1)C10-C11		0.016224139	0.636990667 Hartree
64	BD*(1)C10-H17		0.014049744	0.501162865 Hartree
65	BD*(1)C11-C12		0.016224139	0.636990667 Hartree
66	BD*(2)C11-C12		0.336713991	0.063933053 Hartree
67	BD*(1)C11-H16		0.014046304	0.502259270 Hartree
68	BD*(1)C12-C13		0.015418562	0.642684576 Hartree
69	BD*(1)C12-H15		0.014049744	0.501162865 Hartree
70	BD*(1)C13-H14		0.015502909	0.505031549 Hartree
71	RY(1)C1	71	0.006602451	1.408087120 Hartree
72	RY(2)C1	72	0.001290083	2.277739144 Hartree
73	RY(3)C1	73	0.001234862	0.629439156 Hartree
74	RY(4)C1	74	0.000737061	1.751882848 Hartree
75	RY(5)C1	75	0.000588123	1.596554998 Hartree
76	RY(6)C1	76	0.000368419	2.257099559 Hartree
77	RY(7)C1	77	0.000225313	2.996865182 Hartree
78	RY(8)C1	78	0.000107040	2.673201407 Hartree
79	RY(9)C1	79	0.000062685	3.649415316 Hartree
80	RY(10)C1	80	0.000024313	5.458208020 Hartree
81	RY(11)C1	81	0.000022871	2.097034335 Hartree
82	RY(12)C1	82	0.000012000	3.034992362 Hartree
83	RY(13)C1	83	0.000008769	2.939912583 Hartree
84	RY(14)C1	84	0.000004045	2.765106239 Hartree
85	RY(15)C1	85	0.000001570	3.665490138 Hartree
86	RY(16)C1	86	0.000001108	3.456070523 Hartree
87	RY(17)C1	87	0.000001928	1.614947844 Hartree
88	RY(18)C1	88	0.000000000	1.637160707 Hartree
89	RY(19)C1	89	0.000000000	3.293358004 Hartree
90	RY(20)C1	90	0.000000007	1.808581324 Hartree
91	RY(21)C1	91	0.000000410	3.804686403 Hartree
92	RY(22)C1	92	0.000000722	8.487780692 Hartree
93	RY(1)C2	93	0.005749350	1.354751263 Hartree
94	RY(2)C2	94	0.002010071	0.282457501 Hartree
95	RY(3)C2	95	0.001543061	1.339438762 Hartree
96	RY(4)C2	96	0.000690798	1.839996049 Hartree
97	RY(5)C2	97	0.000430656	1.675152283 Hartree
98	RY(6)C2	98	0.000423449	2.466401012 Hartree
99	RY(7)C2	99	0.000119607	3.330842060 Hartree
100	RY(8)C2	100	0.000103114	2.009373467 Hartree
101	RY(9)C2	101	0.000083602	3.174430524 Hartree
102	RY(10)C2	102	0.000067629	0.581051444 Hartree
103	RY(11)C2	103	0.000009391	5.035281051 Hartree
104	RY(12)C2	104	0.000006098	2.987179089 Hartree
105	RY(13)C2	105	0.000002498	1.721980869 Hartree
106	RY(14)C2	106	0.000002502	2.756888115 Hartree
107	RY(15)C2	107	0.000000944	3.645024943 Hartree
108	RY(16)C2	108	0.000000000	2.784690332 Hartree
109	RY(17)C2	109	0.000000328	2.064976458 Hartree
110	RY(18)C2	110	0.000000040	1.265818138 Hartree
111	RY(19)C2	111	0.000000000	3.232952823 Hartree
112	RY(20)C2	112	0.000000152	4.723488610 Hartree
113	RY(21)C2	113	0.000000340	5.416400787 Hartree
114	RY(22)C2	114	0.000000101	14.023999142 Hartree
115	RY(1)C3	115	0.006602451	1.408087134 Hartree
116	RY(2)C3	116	0.001290083	2.277739188 Hartree
117	RY(3)C3	117	0.001134138	0.548210949 Hartree
118	RY(4)C3	118	0.000737061	1.751882819 Hartree
119	RY(5)C3	119	0.000642771	1.683479571 Hartree
120	RY(6)C3	120	0.000368419	2.257099533 Hartree
121	RY(7)C3	121	0.000225313	2.996865176 Hartree
122	RY(8)C3	122	0.000107040	2.673201208 Hartree
123	RY(9)C3	123	0.000062685	3.649415492 Hartree
124	RY(10)C3	124	0.000024313	5.458204291 Hartree
125	RY(11)C3	125	0.000022927	2.091833303 Hartree
126	RY(12)C3	126	0.000012000	3.034995149 Hartree
127	RY(13)C3	127	0.000008769	2.939930948 Hartree
128	RY(14)C3	128	0.000004045	2.765081560 Hartree
129	RY(15)C3	129	0.000001928	1.614262513 Hartree
130	RY(16)C3	130	0.000001570	3.665388164 Hartree
131	RY(17)C3	131	0.000001108	3.455999372 Hartree
132	RY(18)C3	132	0.000000000	1.668084352 Hartree
133	RY(19)C3	133	0.000000000	3.262431904 Hartree
134	RY(20)C3	134	0.000000410	3.804673875 Hartree
135	RY(21)C3	135	0.000000007	1.808597173 Hartree
136	RY(22)C3	136	0.000000722	8.487981889 Hartree
137	RY(1)C4	137	0.013561791	0.993295398 Hartree
138	RY(2)C4	138	0.008454015	0.289362373 Hartree
139	RY(3)C4	139	0.003430287	1.353453036 Hartree
140	RY(4)C4	140	0.001085222	1.281662270 Hartree
141	RY(5)C4	141	0.000775520	1.622220151 Hartree
142	RY(6)C4	142	0.000416031	1.211392639 Hartree
143	RY(7)C4	143	0.000244949	3.079867414 Hartree
144	RY(8)C4	144	0.000143322	2.177654859 Hartree
145	RY(9)C4	145	0.000093995	2.360973315 Hartree
146	RY(10)C4	146	0.000048176	2.798567885 Hartree
147	RY(11)C4	147	0.000039560	2.538870126 Hartree
148	RY(12)C4	148	0.000017397	3.919516060 Hartree
149	RY(13)C4	149	0.000011869	3.861282335 Hartree
150	RY(14)C4	150	0.000010606	1.051850630 Hartree
151	RY(15)C4	151	0.000008034	4.323105345 Hartree
152	RY(16)C4	152	0.000006477	5.370011018 Hartree
153	RY(17)C4	153	0.000001822	1.666418552 Hartree
154	RY(18)C4	154	0.000000486	6.013448242 Hartree
155	RY(19)C4	155	0.000000000	2.927225215 Hartree
156	RY(20)C4	156	0.000000000	3.320166025 Hartree
157	RY(21)C4	157	0.000000891	4.451934124 Hartree
158	RY(22)C4	158	0.000001849	6.565330311 Hartree
159	RY(1)C5	159	0.002699075	1.516701624 Hartree
160	RY(2)C5	160	0.002290076	2.091774558 Hartree
161	RY(3)C5	161	0.001196626	3.175534078 Hartree
162	RY(4)C5	162	0.001128525	2.971850364 Hartree
163	RY(5)C5	163	0.000513314	2.360800600 Hartree
164	RY(6)C5	164	0.000436886	2.797313094 Hartree
165	RY(7)C5	165	0.000406493	2.016845719 Hartree
166	RY(8)C5	166	0.000287077	2.065828918 Hartree
167	RY(9)C5	167	0.000092358	3.445802781 Hartree
168	RY(10)C5	168	0.000058682	3.017788955 Hartree
169	RY(11)C5	169	0.000043390	2.485569105 Hartree
170	RY(12)C5	170	0.000027761	3.403024071 Hartree
171	RY(13)C5	171	0.000020990	2.279572501 Hartree
172	RY(14)C5	172	0.000014306	2.867778652 Hartree
173	RY(15)C5	173	0.000007467	0.937518463 Hartree
174	RY(16)C5	174	0.000001727	6.652457883 Hartree
175	RY(17)C5	175	0.000000253	15.128523965 Hartree
176	RY(18)C5	176	0.000000000	2.883482628 Hartree
177	RY(1)C6	177	0.013561791	0.993295400 Hartree
178	RY(2)C6	178	0.007475815	0.291556295 Hartree
179	RY(3)C6	179	0.003430287	1.353453034 Hartree
180	RY(4)C6	180	0.001085222	1.281662301 Hartree
181	RY(5)C6	181	0.000775520	1.622220124 Hartree
182	RY(6)C6	182	0.000454645	1.255941829 Hartree
183	RY(7)C6	183	0.000244949	3.079867297 Hartree
184	RY(8)C6	184	0.000143322	2.177654907 Hartree
185	RY(9)C6	185	0.000095491	2.319665319 Hartree
186	RY(10)C6	186	0.000048176	2.798567757 Hartree
187	RY(11)C6	187	0.000039560	2.538869597 Hartree
188	RY(12)C6	188	0.000017397	3.919515364 Hartree
189	RY(13)C6	189	0.000011869	3.861282719 Hartree
190	RY(14)C6	190	0.000010609	1.050609264 Hartree
191	RY(15)C6	191	0.000008034	4.323102701 Hartree
192	RY(16)C6	192	0.000006477	5.370014914 Hartree
193	RY(17)C6	193	0.000001825	1.663936275 Hartree
194	RY(18)C6	194	0.000000486	6.013366516 Hartree
195	RY(19)C6	195	0.000000000	2.929074040 Hartree
196	RY(20)C6	196	0.000000000	3.318317199 Hartree
197	RY(21)C6	197	0.000000891	4.451862148 Hartree
198	RY(22)C6	198	0.000001849	6.565479914 Hartree
199	RY(1)H7	199	0.001757408	0.868406537 Hartree
200	RY(2)H7	200	0.000175423	1.851299257 Hartree
201	RY(3)H7	201	0.000157783	2.523838632 Hartree
202	RY(4)H7	202	0.000087227	2.350509663 Hartree
203	RY(5)H7	203	0.000062691	2.351472810 Hartree
204	RY(1)C8	204	0.002699075	1.516701609 Hartree
205	RY(2)C8	205	0.002290076	2.091774558 Hartree
206	RY(3)C8	206	0.001196626	3.175534077 Hartree
207	RY(4)C8	207	0.001128525	2.971850365 Hartree
208	RY(5)C8	208	0.000513314	2.360800600 Hartree
209	RY(6)C8	209	0.000436886	2.797313136 Hartree
210	RY(7)C8	210	0.000406493	2.016845719 Hartree
211	RY(8)C8	211	0.000287077	2.065828932 Hartree
212	RY(9)C8	212	0.000092358	3.445802778 Hartree
213	RY(10)C8	213	0.000058682	3.017788961 Hartree
214	RY(11)C8	214	0.000043390	2.485569105 Hartree
215	RY(12)C8	215	0.000027761	3.403024075 Hartree
216	RY(13)C8	216	0.000020990	2.279572501 Hartree
217	RY(14)C8	217	0.000014306	2.867778652 Hartree
218	RY(15)C8	218	0.000007467	0.937518463 Hartree
219	RY(16)C8	219	0.000001727	6.652456107 Hartree
220	RY(17)C8	220	0.000000253	15.128525880 Hartree
221	RY(18)C8	221	0.000000000	2.883482628 Hartree
222	RY(1)C9	222	0.013561791	0.993295379 Hartree
223	RY(2)C9	223	0.007475815	0.291556295 Hartree
224	RY(3)C9	224	0.003430287	1.353453036 Hartree
225	RY(4)C9	225	0.001085222	1.281662216 Hartree
226	RY(5)C9	226	0.000775520	1.622220118 Hartree
227	RY(6)C9	227	0.000454645	1.255941829 Hartree
228	RY(7)C9	228	0.000244949	3.079867364 Hartree
229	RY(8)C9	229	0.000143322	2.177654786 Hartree
230	RY(9)C9	230	0.000095491	2.319665319 Hartree
231	RY(10)C9	231	0.000048176	2.798567872 Hartree
232	RY(11)C9	232	0.000039560	2.538869731 Hartree
233	RY(12)C9	233	0.000017397	3.919514878 Hartree
234	RY(13)C9	234	0.000011869	3.861279051 Hartree
235	RY(14)C9	235	0.000010609	1.050609264 Hartree
236	RY(15)C9	236	0.000008034	4.323107517 Hartree
237	RY(16)C9	237	0.000006477	5.370018609 Hartree
238	RY(17)C9	238	0.000001825	1.663936275 Hartree
239	RY(18)C9	239	0.000000486	6.013392444 Hartree
240	RY(19)C9	240	0.000000000	2.929074040 Hartree
241	RY(20)C9	241	0.000000000	3.318317199 Hartree
242	RY(21)C9	242	0.000000891	4.452055657 Hartree
243	RY(22)C9	243	0.000001849	6.565237721 Hartree
244	RY(1)C10	244	0.006602451	1.408087122 Hartree
245	RY(2)C10	245	0.001290083	2.277739101 Hartree
246	RY(3)C10	246	0.001234862	0.629439156 Hartree
247	RY(4)C10	247	0.000737061	1.751882795 Hartree
248	RY(5)C10	248	0.000588123	1.596554998 Hartree
249	RY(6)C10	249	0.000368419	2.257099566 Hartree
250	RY(7)C10	250	0.000225313	2.996865136 Hartree
251	RY(8)C10	251	0.000107040	2.673201117 Hartree
252	RY(9)C10	252	0.000062685	3.649415566 Hartree
253	RY(10)C10	253	0.000024313	5.458209806 Hartree
254	RY(11)C10	254	0.000022871	2.097034335 Hartree
255	RY(12)C10	255	0.000012000	3.034993302 Hartree
256	RY(13)C10	256	0.000008769	2.939926392 Hartree
257	RY(14)C10	257	0.000004045	2.765087533 Hartree
258	RY(15)C10	258	0.000001570	3.665459490 Hartree
259	RY(16)C10	259	0.000001108	3.456071912 Hartree
260	RY(17)C10	260	0.000001928	1.614947842 Hartree
261	RY(18)C10	261	0.000000000	1.637159271 Hartree
262	RY(19)C10	262	0.000000000	3.293358031 Hartree
263	RY(20)C10	263	0.000000007	1.808582735 Hartree
264	RY(21)C10	264	0.000000410	3.804668366 Hartree
265	RY(22)C10	265	0.000000722	8.487822236 Hartree
266	RY(1)C11	266	0.005749350	1.354751261 Hartree
267	RY(2)C11	267	0.002010071	0.282457501 Hartree
268	RY(3)C11	268	0.001543061	1.339438758 Hartree
269	RY(4)C11	269	0.000690798	1.839996022 Hartree
270	RY(5)C11	270	0.000430656	1.675152309 Hartree
271	RY(6)C11	271	0.000423449	2.466401012 Hartree
272	RY(7)C11	272	0.000119607	3.330842088 Hartree
273	RY(8)C11	273	0.000103114	2.009373140 Hartree
274	RY(9)C11	274	0.000083602	3.174430498 Hartree
275	RY(10)C11	275	0.000067629	0.581051444 Hartree
276	RY(11)C11	276	0.000009391	5.035282264 Hartree
277	RY(12)C11	277	0.000006098	2.987179137 Hartree
278	RY(13)C11	278	0.000002498	1.721981639 Hartree
279	RY(14)C11	279	0.000002502	2.756888069 Hartree
280	RY(15)C11	280	0.000000944	3.645024049 Hartree
281	RY(16)C11	281	0.000000000	2.784690298 Hartree
282	RY(17)C11	282	0.000000328	2.064976458 Hartree
283	RY(18)C11	283	0.000000040	1.265818227 Hartree
284	RY(19)C11	284	0.000000000	3.232952768 Hartree
285	RY(20)C11	285	0.000000152	4.723651583 Hartree
286	RY(21)C11	286	0.000000340	5.416398215 Hartree
287	RY(22)C11	287	0.000000101	14.023837460 Hartree
288	RY(1)C12	288	0.006602451	1.408087124 Hartree
289	RY(2)C12	289	0.001290083	2.277739177 Hartree
290	RY(3)C12	290	0.001134138	0.548210949 Hartree
291	RY(4)C12	291	0.000737061	1.751882810 Hartree
292	RY(5)C12	292	0.000642771	1.683479571 Hartree
293	RY(6)C12	293	0.000368419	2.257099559 Hartree
294	RY(7)C12	294	0.000225313	2.996865170 Hartree
295	RY(8)C12	295	0.000107040	2.673201249 Hartree
296	RY(9)C12	296	0.000062685	3.649413950 Hartree
297	RY(10)C12	297	0.000024313	5.458203598 Hartree
298	RY(11)C12	298	0.000022927	2.091833304 Hartree
299	RY(12)C12	299	0.000012000	3.034994217 Hartree
300	RY(13)C12	300	0.000008769	2.939917732 Hartree
301	RY(14)C12	301	0.000004045	2.765093011 Hartree
302	RY(15)C12	302	0.000001928	1.614262512 Hartree
303	RY(16)C12	303	0.000001570	3.665413222 Hartree
304	RY(17)C12	304	0.000001108	3.456011090 Hartree
305	RY(18)C12	305	0.000000000	1.668087158 Hartree
306	RY(19)C12	306	0.000000000	3.262432104 Hartree
307	RY(20)C12	307	0.000000410	3.804669195 Hartree
308	RY(21)C12	308	0.000000007	1.808594167 Hartree
309	RY(22)C12	309	0.000000722	8.487953058 Hartree
310	RY(1)C13	310	0.013561791	0.993295389 Hartree
311	RY(2)C13	311	0.008454015	0.289362373 Hartree
312	RY(3)C13	312	0.003430287	1.353453047 Hartree
313	RY(4)C13	313	0.001085222	1.281662271 Hartree
314	RY(5)C13	314	0.000775520	1.622220153 Hartree
315	RY(6)C13	315	0.000416031	1.211392640 Hartree
316	RY(7)C13	316	0.000244949	3.079867472 Hartree
317	RY(8)C13	317	0.000143322	2.177654877 Hartree
318	RY(9)C13	318	0.000093995	2.360973314 Hartree
319	RY(10)C13	319	0.000048176	2.798569700 Hartree
320	RY(11)C13	320	0.000039560	2.538869989 Hartree
321	RY(12)C13	321	0.000017397	3.919514602 Hartree
322	RY(13)C13	322	0.000011869	3.861280575 Hartree
323	RY(14)C13	323	0.000010606	1.051850629 Hartree
324	RY(15)C13	324	0.000008034	4.323096389 Hartree
325	RY(16)C13	325	0.000006477	5.370028703 Hartree
326	RY(17)C13	326	0.000001822	1.666418552 Hartree
327	RY(18)C13	327	0.000000486	6.013491726 Hartree
328	RY(19)C13	328	0.000000000	2.927225215 Hartree
329	RY(20)C13	329	0.000000000	3.320166025 Hartree
330	RY(21)C13	330	0.000000891	4.452181690 Hartree
331	RY(22)C13	331	0.000001849	6.565034285 Hartree
332	RY(1)H14	332	0.001757408	0.868406546 Hartree
333	RY(2)H14	333	0.000175423	1.851299257 Hartree
334	RY(3)H14	334	0.000157783	2.523838632 Hartree
335	RY(4)H14	335	0.000087227	2.350509662 Hartree
336	RY(5)H14	336	0.000062691	2.351472810 Hartree
337	RY(1)H15	337	0.000599086	1.427064885 Hartree
338	RY(2)H15	338	0.000117978	2.319133649 Hartree
339	RY(3)H15	339	0.000084156	1.847088394 Hartree
340	RY(4)H15	340	0.000050312	2.280525291 Hartree
341	RY(5)H15	341	0.000026762	2.220237590 Hartree
342	RY(1)H16	342	0.000803028	1.130413349 Hartree
343	RY(2)H16	343	0.000174757	2.469753533 Hartree
344	RY(3)H16	344	0.000074414	1.836719185 Hartree
345	RY(4)H16	345	0.000055885	2.284201196 Hartree
346	RY(5)H16	346	0.000020023	2.159268890 Hartree
347	RY(1)H17	347	0.000599086	1.427064884 Hartree
348	RY(2)H17	348	0.000117978	2.319133649 Hartree
349	RY(3)H17	349	0.000084156	1.847088394 Hartree
350	RY(4)H17	350	0.000050312	2.280525291 Hartree
351	RY(5)H17	351	0.000026762	2.220237590 Hartree
352	RY(1)H18	352	0.001757408	0.868406541 Hartree
353	RY(2)H18	353	0.000175423	1.851299257 Hartree
354	RY(3)H18	354	0.000157783	2.523838633 Hartree
355	RY(4)H18	355	0.000087227	2.350509663 Hartree
356	RY(5)H18	356	0.000062691	2.351472810 Hartree
357	RY(1)H19	357	0.001757408	0.868406537 Hartree
358	RY(2)H19	358	0.000175423	1.851299257 Hartree
359	RY(3)H19	359	0.000157783	2.523838633 Hartree
360	RY(4)H19	360	0.000087227	2.350509663 Hartree
361	RY(5)H19	361	0.000062691	2.351472810 Hartree
362	RY(1)H20	362	0.000599086	1.427064887 Hartree
363	RY(2)H20	363	0.000117978	2.319133649 Hartree
364	RY(3)H20	364	0.000084156	1.847088394 Hartree
365	RY(4)H20	365	0.000050312	2.280525291 Hartree
366	RY(5)H20	366	0.000026762	2.220237590 Hartree
367	RY(1)H21	367	0.000803028	1.130413352 Hartree
368	RY(2)H21	368	0.000174757	2.469753533 Hartree
369	RY(3)H21	369	0.000074414	1.836719185 Hartree
370	RY(4)H21	370	0.000055885	2.284201196 Hartree
371	RY(5)H21	371	0.000020023	2.159268890 Hartree
372	RY(1)H22	372	0.000599086	1.427064881 Hartree
373	RY(2)H22	373	0.000117978	2.319133648 Hartree
374	RY(3)H22	374	0.000084156	1.847088394 Hartree
375	RY(4)H22	375	0.000050312	2.280525291 Hartree
376	RY(5)H22	376	0.000026762	2.220237589 Hartree
377		376		********** Hartree
378		376		********** Hartree
379		376		********** Hartree
380		376		********** Hartree
381		376		********** Hartree
382		376		********** Hartree
383		376		********** Hartree
384		376		********** Hartree

Quote

IT IS BY EATING THE LIGHT OF A STAR THAT WE EXIST, IN THE FINAL ANALYSIS, JUST AS IT IS BY PERCEIVING THE LIGHT OF STARS THAT WE DEFINE THE WORLD AROUND US. -- GILBERT GROSVENOR

WebMO Job Summary

125029: 1. Biphenyl (0° Dihedral), Natural Bond Orbitals 6.0/NRT - Gaussian

Calculated Quantities

Overview

Rotational Constants

Partial Charges

Molecular Orbitals

Natural Population Analysis

Natural Atomic Orbitals

Natural Hybrid Orbitals

Natural Bond Orbitals

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