WebMO Job Summary

Overview

Quantity	Value
Route	#N B3LYP/6-31G(d) SP GFINPUT POP=(FULL,NBORead) Geom=Connectivity
Stoichiometry	C₁₈H₁₅OP
Symmetry	C1
Basis	6-31G(d)
RB3LYP Energy	-1111.55040619 Hartree
Dipole Moment	4.1864 Debye
Server	default (2770051)
CPU time	561.2 sec

Rotational Constants

Constant	Frequency (GHz)	Frequency (cm^-1)
a	0.3293208	0.01098495947
b	0.3203104	0.01068440488
c	0.2032983	0.00678130135

Molecular Orbitals

Display Range		- / 334
Orbital	Symmetry	Occupancy	Energy	Actions
1	-	2	-77.15418 Hartree
2	-	2	-19.08185 Hartree
3	-	2	-10.20229 Hartree
4	-	2	-10.20198 Hartree
5	-	2	-10.20158 Hartree
6	-	2	-10.20145 Hartree
7	-	2	-10.20089 Hartree
8	-	2	-10.19991 Hartree
9	-	2	-10.19943 Hartree
10	-	2	-10.19914 Hartree
11	-	2	-10.19825 Hartree
12	-	2	-10.19821 Hartree
13	-	2	-10.19817 Hartree
14	-	2	-10.19780 Hartree
15	-	2	-10.19776 Hartree
16	-	2	-10.19730 Hartree
17	-	2	-10.19605 Hartree
18	-	2	-10.19549 Hartree
19	-	2	-10.19546 Hartree
20	-	2	-10.19477 Hartree
21	-	2	-6.61127 Hartree
22	-	2	-4.77377 Hartree
23	-	2	-4.77368 Hartree
24	-	2	-4.77323 Hartree
25	-	2	-0.94306 Hartree
26	-	2	-0.86152 Hartree
27	-	2	-0.85726 Hartree
28	-	2	-0.85670 Hartree
29	-	2	-0.77043 Hartree
30	-	2	-0.75377 Hartree
31	-	2	-0.75072 Hartree
32	-	2	-0.75003 Hartree
33	-	2	-0.74833 Hartree
34	-	2	-0.74700 Hartree
35	-	2	-0.64757 Hartree
36	-	2	-0.61408 Hartree
37	-	2	-0.61161 Hartree
38	-	2	-0.60860 Hartree
39	-	2	-0.60307 Hartree
40	-	2	-0.59922 Hartree
41	-	2	-0.55876 Hartree
42	-	2	-0.52464 Hartree
43	-	2	-0.52278 Hartree
44	-	2	-0.50127 Hartree
45	-	2	-0.46426 Hartree
46	-	2	-0.46295 Hartree
47	-	2	-0.45511 Hartree
48	-	2	-0.45304 Hartree
49	-	2	-0.45134 Hartree
50	-	2	-0.44777 Hartree
51	-	2	-0.42868 Hartree
52	-	2	-0.42683 Hartree
53	-	2	-0.42495 Hartree
54	-	2	-0.42301 Hartree
55	-	2	-0.41400 Hartree
56	-	2	-0.38457 Hartree
57	-	2	-0.37390 Hartree
58	-	2	-0.37100 Hartree
59	-	2	-0.36829 Hartree
60	-	2	-0.35568 Hartree
61	-	2	-0.35286 Hartree
62	-	2	-0.34819 Hartree
63	-	2	-0.34420 Hartree
64	-	2	-0.33851 Hartree
65	-	2	-0.33804 Hartree
66	-	2	-0.27275 Hartree
67	-	2	-0.26403 Hartree
68	-	2	-0.26092 Hartree
69	-	2	-0.25666 Hartree
70	-	2	-0.25618 Hartree
71	-	2	-0.25362 Hartree
72	-	2	-0.25074 Hartree
73	-	2	-0.24774 Hartree
74	-	0	-0.03120 Hartree
75	-	0	-0.02662 Hartree
76	-	0	-0.01529 Hartree
77	-	0	-0.01223 Hartree
78	-	0	-0.00695 Hartree
79	-	0	0.00136 Hartree
80	-	0	0.07710 Hartree
81	-	0	0.09126 Hartree
82	-	0	0.09450 Hartree
83	-	0	0.09676 Hartree
84	-	0	0.12142 Hartree
85	-	0	0.12645 Hartree
86	-	0	0.12716 Hartree
87	-	0	0.13963 Hartree
88	-	0	0.14220 Hartree
89	-	0	0.14712 Hartree
90	-	0	0.15361 Hartree
91	-	0	0.15720 Hartree
92	-	0	0.16517 Hartree
93	-	0	0.17111 Hartree
94	-	0	0.17578 Hartree
95	-	0	0.18073 Hartree
96	-	0	0.18198 Hartree
97	-	0	0.19177 Hartree
98	-	0	0.19514 Hartree
99	-	0	0.19997 Hartree
100	-	0	0.20888 Hartree
101	-	0	0.22588 Hartree
102	-	0	0.25632 Hartree
103	-	0	0.27405 Hartree
104	-	0	0.28458 Hartree
105	-	0	0.29369 Hartree
106	-	0	0.29698 Hartree
107	-	0	0.29924 Hartree
108	-	0	0.30521 Hartree
109	-	0	0.30931 Hartree
110	-	0	0.31544 Hartree
111	-	0	0.31927 Hartree
112	-	0	0.32602 Hartree
113	-	0	0.33287 Hartree
114	-	0	0.36227 Hartree
115	-	0	0.39607 Hartree
116	-	0	0.40095 Hartree
117	-	0	0.44318 Hartree
118	-	0	0.44705 Hartree
119	-	0	0.50088 Hartree
120	-	0	0.51751 Hartree
121	-	0	0.52319 Hartree
122	-	0	0.52454 Hartree
123	-	0	0.53462 Hartree
124	-	0	0.53777 Hartree
125	-	0	0.53820 Hartree
126	-	0	0.54007 Hartree
127	-	0	0.54548 Hartree
128	-	0	0.54959 Hartree
129	-	0	0.55761 Hartree
130	-	0	0.55979 Hartree
131	-	0	0.56547 Hartree
132	-	0	0.57128 Hartree
133	-	0	0.57847 Hartree
134	-	0	0.58464 Hartree
135	-	0	0.58864 Hartree
136	-	0	0.59136 Hartree
137	-	0	0.59519 Hartree
138	-	0	0.59886 Hartree
139	-	0	0.60146 Hartree
140	-	0	0.60334 Hartree
141	-	0	0.60429 Hartree
142	-	0	0.60524 Hartree
143	-	0	0.60894 Hartree
144	-	0	0.61285 Hartree
145	-	0	0.61452 Hartree
146	-	0	0.61563 Hartree
147	-	0	0.63507 Hartree
148	-	0	0.63808 Hartree
149	-	0	0.64436 Hartree
150	-	0	0.65214 Hartree
151	-	0	0.65476 Hartree
152	-	0	0.69389 Hartree
153	-	0	0.70444 Hartree
154	-	0	0.72477 Hartree
155	-	0	0.75111 Hartree
156	-	0	0.77551 Hartree
157	-	0	0.77907 Hartree
158	-	0	0.79363 Hartree
159	-	0	0.80892 Hartree
160	-	0	0.81998 Hartree
161	-	0	0.82862 Hartree
162	-	0	0.83122 Hartree
163	-	0	0.83253 Hartree
164	-	0	0.83512 Hartree
165	-	0	0.83930 Hartree
166	-	0	0.84036 Hartree
167	-	0	0.84213 Hartree
168	-	0	0.84348 Hartree
169	-	0	0.85034 Hartree
170	-	0	0.85812 Hartree
171	-	0	0.86566 Hartree
172	-	0	0.87795 Hartree
173	-	0	0.89297 Hartree
174	-	0	0.90175 Hartree
175	-	0	0.90697 Hartree
176	-	0	0.90804 Hartree
177	-	0	0.91796 Hartree
178	-	0	0.93052 Hartree
179	-	0	0.93264 Hartree
180	-	0	0.93647 Hartree
181	-	0	0.94141 Hartree
182	-	0	0.94622 Hartree
183	-	0	0.95825 Hartree
184	-	0	0.96534 Hartree
185	-	0	0.97792 Hartree
186	-	0	0.98669 Hartree
187	-	0	1.00408 Hartree
188	-	0	1.02620 Hartree
189	-	0	1.03611 Hartree
190	-	0	1.04172 Hartree
191	-	0	1.06346 Hartree
192	-	0	1.07388 Hartree
193	-	0	1.09761 Hartree
194	-	0	1.11207 Hartree
195	-	0	1.11971 Hartree
196	-	0	1.12358 Hartree
197	-	0	1.13445 Hartree
198	-	0	1.16169 Hartree
199	-	0	1.16597 Hartree
200	-	0	1.16654 Hartree
201	-	0	1.18173 Hartree
202	-	0	1.20580 Hartree
203	-	0	1.22215 Hartree
204	-	0	1.23123 Hartree
205	-	0	1.25270 Hartree
206	-	0	1.26110 Hartree
207	-	0	1.27088 Hartree
208	-	0	1.27504 Hartree
209	-	0	1.29575 Hartree
210	-	0	1.33641 Hartree
211	-	0	1.34390 Hartree
212	-	0	1.35628 Hartree
213	-	0	1.40423 Hartree
214	-	0	1.40901 Hartree
215	-	0	1.42595 Hartree
216	-	0	1.43170 Hartree
217	-	0	1.43988 Hartree
218	-	0	1.45125 Hartree
219	-	0	1.45897 Hartree
220	-	0	1.46895 Hartree
221	-	0	1.47469 Hartree
222	-	0	1.48106 Hartree
223	-	0	1.48563 Hartree
224	-	0	1.48731 Hartree
225	-	0	1.48915 Hartree
226	-	0	1.50350 Hartree
227	-	0	1.50433 Hartree
228	-	0	1.50597 Hartree
229	-	0	1.50761 Hartree
230	-	0	1.51208 Hartree
231	-	0	1.55225 Hartree
232	-	0	1.59127 Hartree
233	-	0	1.62347 Hartree
234	-	0	1.68178 Hartree
235	-	0	1.75578 Hartree
236	-	0	1.76145 Hartree
237	-	0	1.78923 Hartree
238	-	0	1.79772 Hartree
239	-	0	1.80724 Hartree
240	-	0	1.81667 Hartree
241	-	0	1.83304 Hartree
242	-	0	1.84722 Hartree
243	-	0	1.85992 Hartree
244	-	0	1.88365 Hartree
245	-	0	1.89146 Hartree
246	-	0	1.90152 Hartree
247	-	0	1.90875 Hartree
248	-	0	1.91619 Hartree
249	-	0	1.96816 Hartree
250	-	0	1.97563 Hartree
251	-	0	1.98029 Hartree
252	-	0	1.99039 Hartree
253	-	0	1.99446 Hartree
254	-	0	2.00447 Hartree
255	-	0	2.04783 Hartree
256	-	0	2.06420 Hartree
257	-	0	2.07684 Hartree
258	-	0	2.08922 Hartree
259	-	0	2.09324 Hartree
260	-	0	2.11253 Hartree
261	-	0	2.12285 Hartree
262	-	0	2.13447 Hartree
263	-	0	2.13547 Hartree
264	-	0	2.14402 Hartree
265	-	0	2.14449 Hartree
266	-	0	2.14615 Hartree
267	-	0	2.14919 Hartree
268	-	0	2.15072 Hartree
269	-	0	2.15243 Hartree
270	-	0	2.15929 Hartree
271	-	0	2.16462 Hartree
272	-	0	2.17273 Hartree
273	-	0	2.18602 Hartree
274	-	0	2.20132 Hartree
275	-	0	2.28958 Hartree
276	-	0	2.29290 Hartree
277	-	0	2.29340 Hartree
278	-	0	2.30096 Hartree
279	-	0	2.30330 Hartree
280	-	0	2.30592 Hartree
281	-	0	2.31820 Hartree
282	-	0	2.32314 Hartree
283	-	0	2.33256 Hartree
284	-	0	2.52543 Hartree
285	-	0	2.53462 Hartree
286	-	0	2.55465 Hartree
287	-	0	2.56865 Hartree
288	-	0	2.57682 Hartree
289	-	0	2.58789 Hartree
290	-	0	2.63987 Hartree
291	-	0	2.64148 Hartree
292	-	0	2.64271 Hartree
293	-	0	2.64848 Hartree
294	-	0	2.67276 Hartree
295	-	0	2.67448 Hartree
296	-	0	2.69249 Hartree
297	-	0	2.70655 Hartree
298	-	0	2.71047 Hartree
299	-	0	2.72630 Hartree
300	-	0	2.73674 Hartree
301	-	0	2.73864 Hartree
302	-	0	2.74854 Hartree
303	-	0	2.75654 Hartree
304	-	0	2.76539 Hartree
305	-	0	2.77059 Hartree
306	-	0	2.78990 Hartree
307	-	0	2.80013 Hartree
308	-	0	2.86898 Hartree
309	-	0	3.02077 Hartree
310	-	0	3.03053 Hartree
311	-	0	3.04183 Hartree
312	-	0	3.34645 Hartree
313	-	0	3.38160 Hartree
314	-	0	3.38277 Hartree
315	-	0	3.61012 Hartree
316	-	0	3.98622 Hartree
317	-	0	4.08311 Hartree
318	-	0	4.08441 Hartree
319	-	0	4.08823 Hartree
320	-	0	4.10952 Hartree
321	-	0	4.11730 Hartree
322	-	0	4.11961 Hartree
323	-	0	4.16136 Hartree
324	-	0	4.17953 Hartree
325	-	0	4.23086 Hartree
326	-	0	4.32282 Hartree
327	-	0	4.33173 Hartree
328	-	0	4.34226 Hartree
329	-	0	4.34675 Hartree
330	-	0	4.38337 Hartree
331	-	0	4.40764 Hartree
332	-	0	4.65697 Hartree
333	-	0	4.66691 Hartree
334	-	0	4.67800 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom	Symbol	Charge
1	P	2.03172
2	C	-0.43777
3	C	-0.20337
4	C	-0.23128
5	C	-0.21728
6	C	-0.23143
7	C	-0.20738
8	H	0.24812
9	H	0.24009
10	H	0.23898
11	H	0.24074
12	H	0.24846
13	C	-0.44203
14	C	-0.21268
15	C	-0.23403
16	C	-0.21947
17	C	-0.23121
18	C	-0.20313
19	H	0.26547
20	H	0.24065
21	H	0.23841
22	H	0.23904
23	H	0.23785
24	C	-0.43772
25	C	-0.22116
26	C	-0.23256
27	C	-0.21928
28	C	-0.22969
29	C	-0.20115
30	H	0.26246
31	H	0.24071
32	H	0.23849
33	H	0.23899
34	H	0.24039
35	O	-1.07797

Natural Atomic Orbitals

Display Range		- / 334
Orbital	Description	Occupancy	Energy	Actions
1	P1 Cor(1S)	1.999998804	-76.026518892 Hartree
2	P1 Cor(2S)	1.998386780	-7.548957322 Hartree
3	P1 Val(3S)	0.899490523	-0.286742164 Hartree
4	P1 Ryd(4S)	0.006195713	0.806431766 Hartree
5	P1 Ryd(5S)	0.000057206	3.505222194 Hartree
6	P1 Cor(2p)	1.999825103	-4.763897407 Hartree
7	P1 Val(3p)	0.719915901	-0.014095054 Hartree
8	P1 Ryd(4p)	0.007539563	0.520758968 Hartree
9	P1 Cor(2p)	1.999825028	-4.764001833 Hartree
10	P1 Val(3p)	0.718701972	-0.015536984 Hartree
11	P1 Ryd(4p)	0.006948055	0.479926281 Hartree
12	P1 Cor(2p)	1.999851714	-4.760250096 Hartree
13	P1 Val(3p)	0.529588368	0.025889520 Hartree
14	P1 Ryd(4p)	0.008569641	0.616074543 Hartree
15	P1 Ryd(3d)	0.007149703	0.998842499 Hartree
16	P1 Ryd(3d)	0.023517429	1.025933979 Hartree
17	P1 Ryd(3d)	0.023693880	0.933327348 Hartree
18	P1 Ryd(3d)	0.009353220	0.933964751 Hartree
19	P1 Ryd(3d)	0.009668697	1.181131133 Hartree
20	C2 Cor(1S)	1.998888764	-10.056196429 Hartree
21	C2 Val(2S)	0.992824050	-0.215463174 Hartree
22	C2 Ryd(3S)	0.002935647	1.152656545 Hartree
23	C2 Ryd(4S)	0.000057012	4.320823179 Hartree
24	C2 Val(2p)	1.109218261	-0.079659366 Hartree
25	C2 Ryd(3p)	0.005163144	0.967005440 Hartree
26	C2 Val(2p)	1.233220646	-0.148793588 Hartree
27	C2 Ryd(3p)	0.009160321	1.112651492 Hartree
28	C2 Val(2p)	1.082000005	-0.123755888 Hartree
29	C2 Ryd(3p)	0.001825185	0.788927632 Hartree
30	C2 Ryd(3d)	0.000589520	2.376824726 Hartree
31	C2 Ryd(3d)	0.000542912	2.032054368 Hartree
32	C2 Ryd(3d)	0.000368772	2.050307795 Hartree
33	C2 Ryd(3d)	0.000582334	2.304039663 Hartree
34	C2 Ryd(3d)	0.000388427	2.156086787 Hartree
35	C3 Cor(1S)	1.999039894	-10.050393767 Hartree
36	C3 Val(2S)	0.952371487	-0.169521420 Hartree
37	C3 Ryd(3S)	0.000828633	1.170346077 Hartree
38	C3 Ryd(4S)	0.000046004	4.076514410 Hartree
39	C3 Val(2p)	1.132121695	-0.056908089 Hartree
40	C3 Ryd(3p)	0.004967589	0.919803774 Hartree
41	C3 Val(2p)	1.109988349	-0.058283779 Hartree
42	C3 Ryd(3p)	0.004450750	0.897636013 Hartree
43	C3 Val(2p)	0.995077274	-0.101559217 Hartree
44	C3 Ryd(3p)	0.001605131	0.702519194 Hartree
45	C3 Ryd(3d)	0.000842814	2.329123533 Hartree
46	C3 Ryd(3d)	0.000504194	1.966295047 Hartree
47	C3 Ryd(3d)	0.000514123	2.036344170 Hartree
48	C3 Ryd(3d)	0.000618034	2.375584201 Hartree
49	C3 Ryd(3d)	0.000395658	2.141875765 Hartree
50	C4 Cor(1S)	1.999089996	-10.050976924 Hartree
51	C4 Val(2S)	0.962106891	-0.174758800 Hartree
52	C4 Ryd(3S)	0.000639296	1.213496819 Hartree
53	C4 Ryd(4S)	0.000035338	3.991576160 Hartree
54	C4 Val(2p)	1.182745468	-0.060335194 Hartree
55	C4 Ryd(3p)	0.005283793	1.071898254 Hartree
56	C4 Val(2p)	1.068243964	-0.047711141 Hartree
57	C4 Ryd(3p)	0.004220157	0.724151498 Hartree
58	C4 Val(2p)	1.005043776	-0.098459105 Hartree
59	C4 Ryd(3p)	0.001101882	0.631122356 Hartree
60	C4 Ryd(3d)	0.000692094	2.306328660 Hartree
61	C4 Ryd(3d)	0.000380039	1.916626498 Hartree
62	C4 Ryd(3d)	0.000451584	2.102110739 Hartree
63	C4 Ryd(3d)	0.000763615	2.300270461 Hartree
64	C4 Ryd(3d)	0.000478259	2.143397022 Hartree
65	C5 Cor(1S)	1.999096228	-10.053868054 Hartree
66	C5 Val(2S)	0.965728597	-0.178378152 Hartree
67	C5 Ryd(3S)	0.000563334	1.211392346 Hartree
68	C5 Ryd(4S)	0.000037044	3.982513358 Hartree
69	C5 Val(2p)	1.068003117	-0.043777832 Hartree
70	C5 Ryd(3p)	0.004298448	0.707652296 Hartree
71	C5 Val(2p)	1.172340712	-0.064716387 Hartree
72	C5 Ryd(3p)	0.004769618	1.054691385 Hartree
73	C5 Val(2p)	0.998483506	-0.100679148 Hartree
74	C5 Ryd(3p)	0.001160772	0.657502982 Hartree
75	C5 Ryd(3d)	0.000658599	2.319266124 Hartree
76	C5 Ryd(3d)	0.000510051	2.029248321 Hartree
77	C5 Ryd(3d)	0.000445505	1.960989821 Hartree
78	C5 Ryd(3d)	0.000768561	2.307529223 Hartree
79	C5 Ryd(3d)	0.000419277	2.127688079 Hartree
80	C6 Cor(1S)	1.999091124	-10.051029751 Hartree
81	C6 Val(2S)	0.961913414	-0.174733182 Hartree
82	C6 Ryd(3S)	0.000636322	1.212204423 Hartree
83	C6 Ryd(4S)	0.000036466	3.996026899 Hartree
84	C6 Val(2p)	1.131237811	-0.052889804 Hartree
85	C6 Ryd(3p)	0.004845056	0.912096725 Hartree
86	C6 Val(2p)	1.104001885	-0.052628894 Hartree
87	C6 Ryd(3p)	0.004544169	0.839229409 Hartree
88	C6 Val(2p)	1.021127143	-0.100903194 Hartree
89	C6 Ryd(3p)	0.001243702	0.677691100 Hartree
90	C6 Ryd(3d)	0.000782639	2.319733465 Hartree
91	C6 Ryd(3d)	0.000507338	1.947486279 Hartree
92	C6 Ryd(3d)	0.000479501	2.035941151 Hartree
93	C6 Ryd(3d)	0.000610273	2.330347491 Hartree
94	C6 Ryd(3d)	0.000373342	2.134716252 Hartree
95	C7 Cor(1S)	1.999033336	-10.049812485 Hartree
96	C7 Val(2S)	0.952375670	-0.169034453 Hartree
97	C7 Ryd(3S)	0.000816933	1.182279131 Hartree
98	C7 Ryd(4S)	0.000043831	4.061379759 Hartree
99	C7 Val(2p)	1.189325084	-0.063631214 Hartree
100	C7 Ryd(3p)	0.005804398	1.070931532 Hartree
101	C7 Val(2p)	1.069492549	-0.052512602 Hartree
102	C7 Ryd(3p)	0.003798206	0.795370063 Hartree
103	C7 Val(2p)	0.982703993	-0.100148235 Hartree
104	C7 Ryd(3p)	0.001135769	0.651120477 Hartree
105	C7 Ryd(3d)	0.000706010	2.320958568 Hartree
106	C7 Ryd(3d)	0.000361605	1.934587597 Hartree
107	C7 Ryd(3d)	0.000482256	2.104343908 Hartree
108	C7 Ryd(3d)	0.000802847	2.337209658 Hartree
109	C7 Ryd(3d)	0.000499457	2.147526446 Hartree
110	H8 Val(1S)	0.750818134	0.099046716 Hartree
111	H8 Ryd(2S)	0.001064484	0.643743576 Hartree
112	H9 Val(1S)	0.759074604	0.091152934 Hartree
113	H9 Ryd(2S)	0.000838030	0.560075529 Hartree
114	H10 Val(1S)	0.760191726	0.089594239 Hartree
115	H10 Ryd(2S)	0.000832962	0.558720853 Hartree
116	H11 Val(1S)	0.758413515	0.091768604 Hartree
117	H11 Ryd(2S)	0.000841922	0.560582820 Hartree
118	H12 Val(1S)	0.750475885	0.098986087 Hartree
119	H12 Ryd(2S)	0.001059665	0.618017117 Hartree
120	C13 Cor(1S)	1.998890771	-10.053083743 Hartree
121	C13 Val(2S)	0.995243636	-0.215597451 Hartree
122	C13 Ryd(3S)	0.003716166	1.162107991 Hartree
123	C13 Ryd(4S)	0.000056870	4.338576803 Hartree
124	C13 Val(2p)	1.216254695	-0.139382162 Hartree
125	C13 Ryd(3p)	0.009500922	1.098457024 Hartree
126	C13 Val(2p)	1.085067444	-0.124216009 Hartree
127	C13 Ryd(3p)	0.002060345	0.786510191 Hartree
128	C13 Val(2p)	1.122690889	-0.083352606 Hartree
129	C13 Ryd(3p)	0.006086097	0.990965636 Hartree
130	C13 Ryd(3d)	0.000365082	1.970038753 Hartree
131	C13 Ryd(3d)	0.000624182	2.392919374 Hartree
132	C13 Ryd(3d)	0.000533173	1.968065634 Hartree
133	C13 Ryd(3d)	0.000357874	2.157545896 Hartree
134	C13 Ryd(3d)	0.000582365	2.422445941 Hartree
135	C14 Cor(1S)	1.999019896	-10.050288847 Hartree
136	C14 Val(2S)	0.950010176	-0.169066679 Hartree
137	C14 Ryd(3S)	0.000759445	1.199009679 Hartree
138	C14 Ryd(4S)	0.000046669	4.054648160 Hartree
139	C14 Val(2p)	1.138682585	-0.060713037 Hartree
140	C14 Ryd(3p)	0.004933353	0.965645870 Hartree
141	C14 Val(2p)	0.990733067	-0.106007236 Hartree
142	C14 Ryd(3p)	0.001023774	0.658242234 Hartree
143	C14 Val(2p)	1.119943429	-0.051983907 Hartree
144	C14 Ryd(3p)	0.004695469	0.892529274 Hartree
145	C14 Ryd(3d)	0.000433306	1.971468999 Hartree
146	C14 Ryd(3d)	0.000913577	2.352350618 Hartree
147	C14 Ryd(3d)	0.000459171	1.938574721 Hartree
148	C14 Ryd(3d)	0.000496061	2.170135802 Hartree
149	C14 Ryd(3d)	0.000533267	2.423729080 Hartree
150	C15 Cor(1S)	1.999091188	-10.050710092 Hartree
151	C15 Val(2S)	0.961701923	-0.174461606 Hartree
152	C15 Ryd(3S)	0.000639494	1.204008855 Hartree
153	C15 Ryd(4S)	0.000036801	4.004365158 Hartree
154	C15 Val(2p)	1.059458662	-0.044304777 Hartree
155	C15 Ryd(3p)	0.004218519	0.692069108 Hartree
156	C15 Val(2p)	1.005162915	-0.102350434 Hartree
157	C15 Ryd(3p)	0.000889728	0.627430934 Hartree
158	C15 Val(2p)	1.194508177	-0.059553488 Hartree
159	C15 Ryd(3p)	0.005564910	1.107036867 Hartree
160	C15 Ryd(3d)	0.000472095	2.062604224 Hartree
161	C15 Ryd(3d)	0.000614260	2.344058308 Hartree
162	C15 Ryd(3d)	0.000358500	1.842798900 Hartree
163	C15 Ryd(3d)	0.000423287	2.270650951 Hartree
164	C15 Ryd(3d)	0.000892750	2.252656435 Hartree
165	C16 Cor(1S)	1.999097524	-10.052147896 Hartree
166	C16 Val(2S)	0.965701471	-0.176846590 Hartree
167	C16 Ryd(3S)	0.000563613	1.212675498 Hartree
168	C16 Ryd(4S)	0.000036925	3.984957196 Hartree
169	C16 Val(2p)	1.164968185	-0.059911345 Hartree
170	C16 Ryd(3p)	0.004789870	1.027979709 Hartree
171	C16 Val(2p)	0.995048907	-0.103023108 Hartree
172	C16 Ryd(3p)	0.000967473	0.654646937 Hartree
173	C16 Val(2p)	1.081018768	-0.041770291 Hartree
174	C16 Ryd(3p)	0.004480911	0.741732187 Hartree
175	C16 Ryd(3d)	0.000433511	1.921407686 Hartree
176	C16 Ryd(3d)	0.000724884	2.345838323 Hartree
177	C16 Ryd(3d)	0.000524271	1.957578152 Hartree
178	C16 Ryd(3d)	0.000543983	2.110521743 Hartree
179	C16 Ryd(3d)	0.000571423	2.416727941 Hartree
180	C17 Cor(1S)	1.999089870	-10.048203074 Hartree
181	C17 Val(2S)	0.962931483	-0.171979209 Hartree
182	C17 Ryd(3S)	0.000608392	1.231607817 Hartree
183	C17 Ryd(4S)	0.000036494	3.979838619 Hartree
184	C17 Val(2p)	1.134075121	-0.051742570 Hartree
185	C17 Ryd(3p)	0.004833550	0.924158483 Hartree
186	C17 Val(2p)	1.003830605	-0.100001162 Hartree
187	C17 Ryd(3p)	0.000919041	0.640918879 Hartree
188	C17 Val(2p)	1.117430478	-0.045373149 Hartree
189	C17 Ryd(3p)	0.004695419	0.870982651 Hartree
190	C17 Ryd(3d)	0.000413827	1.977642493 Hartree
191	C17 Ryd(3d)	0.000854162	2.331856948 Hartree
192	C17 Ryd(3d)	0.000452157	1.925926435 Hartree
193	C17 Ryd(3d)	0.000488325	2.170945878 Hartree
194	C17 Ryd(3d)	0.000553331	2.376789047 Hartree
195	C18 Cor(1S)	1.999032147	-10.043367216 Hartree
196	C18 Val(2S)	0.957502123	-0.164118708 Hartree
197	C18 Ryd(3S)	0.000949597	1.142593101 Hartree
198	C18 Ryd(4S)	0.000047413	4.112164169 Hartree
199	C18 Val(2p)	1.052484644	-0.041668955 Hartree
200	C18 Ryd(3p)	0.004501042	0.772343982 Hartree
201	C18 Val(2p)	0.961231354	-0.096702979 Hartree
202	C18 Ryd(3p)	0.001125613	0.651940640 Hartree
203	C18 Val(2p)	1.216534609	-0.059089808 Hartree
204	C18 Ryd(3p)	0.006845612	1.098067002 Hartree
205	C18 Ryd(3d)	0.000495977	2.072914968 Hartree
206	C18 Ryd(3d)	0.000650829	2.375464810 Hartree
207	C18 Ryd(3d)	0.000377508	1.864377146 Hartree
208	C18 Ryd(3d)	0.000437426	2.277951125 Hartree
209	C18 Ryd(3d)	0.000912871	2.278598802 Hartree
210	H19 Val(1S)	0.732835662	0.122844140 Hartree
211	H19 Ryd(2S)	0.001691175	0.629804214 Hartree
212	H20 Val(1S)	0.758504580	0.095232510 Hartree
213	H20 Ryd(2S)	0.000842856	0.563988716 Hartree
214	H21 Val(1S)	0.760756733	0.090705535 Hartree
215	H21 Ryd(2S)	0.000831431	0.560101491 Hartree
216	H22 Val(1S)	0.760114574	0.090257974 Hartree
217	H22 Ryd(2S)	0.000840998	0.559147462 Hartree
218	H23 Val(1S)	0.760916036	0.089362688 Hartree
219	H23 Ryd(2S)	0.001233038	0.651473509 Hartree
220	C24 Cor(1S)	1.998889701	-10.053567386 Hartree
221	C24 Val(2S)	0.994583685	-0.214968216 Hartree
222	C24 Ryd(3S)	0.003636554	1.133476031 Hartree
223	C24 Ryd(4S)	0.000057896	4.307074619 Hartree
224	C24 Val(2p)	1.148253085	-0.136934943 Hartree
225	C24 Ryd(3p)	0.005133817	0.933865779 Hartree
226	C24 Val(2p)	1.154799396	-0.120448109 Hartree
227	C24 Ryd(3p)	0.006773902	0.949918728 Hartree
228	C24 Val(2p)	1.117775308	-0.089463422 Hartree
229	C24 Ryd(3p)	0.005356543	0.966685386 Hartree
230	C24 Ryd(3d)	0.000431196	2.206031158 Hartree
231	C24 Ryd(3d)	0.000538566	2.207262756 Hartree
232	C24 Ryd(3d)	0.000533674	2.261393589 Hartree
233	C24 Ryd(3d)	0.000368502	1.973205789 Hartree
234	C24 Ryd(3d)	0.000589793	2.259488581 Hartree
235	C25 Cor(1S)	1.999024319	-10.050739216 Hartree
236	C25 Val(2S)	0.950925170	-0.170319792 Hartree
237	C25 Ryd(3S)	0.000793161	1.193540773 Hartree
238	C25 Ryd(4S)	0.000045028	4.055322516 Hartree
239	C25 Val(2p)	1.034861004	-0.085093407 Hartree
240	C25 Ryd(3p)	0.002467539	0.741158053 Hartree
241	C25 Val(2p)	1.124755301	-0.077352012 Hartree
242	C25 Ryd(3p)	0.003900746	0.949191560 Hartree
243	C25 Val(2p)	1.097213862	-0.061356098 Hartree
244	C25 Ryd(3p)	0.004335514	0.834925869 Hartree
245	C25 Ryd(3d)	0.000465195	2.227492598 Hartree
246	C25 Ryd(3d)	0.000487344	2.207051955 Hartree
247	C25 Ryd(3d)	0.000821249	2.222140572 Hartree
248	C25 Ryd(3d)	0.000543503	1.940290093 Hartree
249	C25 Ryd(3d)	0.000518641	2.252078910 Hartree
250	C26 Cor(1S)	1.999088450	-10.050959736 Hartree
251	C26 Val(2S)	0.961339626	-0.174633189 Hartree
252	C26 Ryd(3S)	0.000647492	1.203585732 Hartree
253	C26 Ryd(4S)	0.000036591	4.003641610 Hartree
254	C26 Val(2p)	1.044193477	-0.079598374 Hartree
255	C26 Ryd(3p)	0.002471517	0.706113786 Hartree
256	C26 Val(2p)	1.043406284	-0.061320188 Hartree
257	C26 Ryd(3p)	0.003283246	0.673788869 Hartree
258	C26 Val(2p)	1.170395909	-0.066192657 Hartree
259	C26 Ryd(3p)	0.004936759	1.045939622 Hartree
260	C26 Ryd(3d)	0.000426010	2.318902624 Hartree
261	C26 Ryd(3d)	0.000579204	2.096183767 Hartree
262	C26 Ryd(3d)	0.000524411	2.214964102 Hartree
263	C26 Ryd(3d)	0.000507194	2.026329912 Hartree
264	C26 Ryd(3d)	0.000720281	2.115259476 Hartree
265	C27 Cor(1S)	1.999097390	-10.052445886 Hartree
266	C27 Val(2S)	0.965633541	-0.177056653 Hartree
267	C27 Ryd(3S)	0.000561871	1.214765466 Hartree
268	C27 Ryd(4S)	0.000036542	3.982070658 Hartree
269	C27 Val(2p)	1.076379639	-0.085749210 Hartree
270	C27 Ryd(3p)	0.002692607	0.839681654 Hartree
271	C27 Val(2p)	1.093550136	-0.069229874 Hartree
272	C27 Ryd(3p)	0.003538234	0.849314965 Hartree
273	C27 Val(2p)	1.070986225	-0.050425288 Hartree
274	C27 Ryd(3p)	0.004006096	0.734502833 Hartree
275	C27 Ryd(3d)	0.000671140	2.168995556 Hartree
276	C27 Ryd(3d)	0.000588533	2.158182341 Hartree
277	C27 Ryd(3d)	0.000580536	2.257805420 Hartree
278	C27 Ryd(3d)	0.000376378	1.912318119 Hartree
279	C27 Ryd(3d)	0.000579421	2.253533242 Hartree
280	C28 Cor(1S)	1.999091268	-10.048761169 Hartree
281	C28 Val(2S)	0.963038178	-0.172465015 Hartree
282	C28 Ryd(3S)	0.000606135	1.233806237 Hartree
283	C28 Ryd(4S)	0.000036013	3.976622601 Hartree
284	C28 Val(2p)	1.036884091	-0.076103932 Hartree
285	C28 Ryd(3p)	0.002382079	0.691838086 Hartree
286	C28 Val(2p)	1.118618061	-0.069850084 Hartree
287	C28 Ryd(3p)	0.003852185	0.913794239 Hartree
288	C28 Val(2p)	1.098239360	-0.052197873 Hartree
289	C28 Ryd(3p)	0.004179245	0.829442799 Hartree
290	C28 Ryd(3d)	0.000489888	2.228110026 Hartree
291	C28 Ryd(3d)	0.000487403	2.198853398 Hartree
292	C28 Ryd(3d)	0.000761040	2.189187787 Hartree
293	C28 Ryd(3d)	0.000493087	1.936417258 Hartree
294	C28 Ryd(3d)	0.000534295	2.227830609 Hartree
295	C29 Cor(1S)	1.999035941	-10.044366962 Hartree
296	C29 Val(2S)	0.956543424	-0.164451366 Hartree
297	C29 Ryd(3S)	0.000935461	1.154312812 Hartree
298	C29 Ryd(4S)	0.000046005	4.101488843 Hartree
299	C29 Val(2p)	1.021498147	-0.076237637 Hartree
300	C29 Ryd(3p)	0.003001142	0.754633544 Hartree
301	C29 Val(2p)	1.023520921	-0.058290173 Hartree
302	C29 Ryd(3p)	0.003242091	0.716116398 Hartree
303	C29 Val(2p)	1.184354342	-0.064019090 Hartree
304	C29 Ryd(3p)	0.006106568	1.052008130 Hartree
305	C29 Ryd(3d)	0.000442760	2.338804703 Hartree
306	C29 Ryd(3d)	0.000596543	2.102474390 Hartree
307	C29 Ryd(3d)	0.000534460	2.249811660 Hartree
308	C29 Ryd(3d)	0.000523984	2.026444607 Hartree
309	C29 Ryd(3d)	0.000768769	2.147169412 Hartree
310	H30 Val(1S)	0.735868960	0.119281488 Hartree
311	H30 Ryd(2S)	0.001667400	0.628157050 Hartree
312	H31 Val(1S)	0.758448562	0.094852902 Hartree
313	H31 Ryd(2S)	0.000842392	0.563643516 Hartree
314	H32 Val(1S)	0.760675405	0.090500322 Hartree
315	H32 Ryd(2S)	0.000831189	0.559873901 Hartree
316	H33 Val(1S)	0.760166983	0.089730010 Hartree
317	H33 Ryd(2S)	0.000841508	0.559158222 Hartree
318	H34 Val(1S)	0.758547902	0.088454094 Hartree
319	H34 Ryd(2S)	0.001057152	0.646160614 Hartree
320	O35 Cor(1S)	1.999901814	-18.857885181 Hartree
321	O35 Val(2S)	1.807376284	-0.923399277 Hartree
322	O35 Ryd(3S)	0.000898762	1.897520666 Hartree
323	O35 Ryd(4S)	0.000004206	3.935935810 Hartree
324	O35 Val(2p)	1.805325872	-0.226491922 Hartree
325	O35 Ryd(3p)	0.000712634	1.241004731 Hartree
326	O35 Val(2p)	1.794528517	-0.225810091 Hartree
327	O35 Ryd(3p)	0.000776726	1.192548339 Hartree
328	O35 Val(2p)	1.651293044	-0.309527702 Hartree
329	O35 Ryd(3p)	0.000220241	1.116817723 Hartree
330	O35 Ryd(3d)	0.000045337	1.886133882 Hartree
331	O35 Ryd(3d)	0.004739977	2.001515547 Hartree
332	O35 Ryd(3d)	0.004816830	2.002141992 Hartree
333	O35 Ryd(3d)	0.000031903	1.884826870 Hartree
334	O35 Ryd(3d)	0.007300287	2.344457393 Hartree

Natural Hybrid Orbitals

Display Range		- / 334
Orbital	Description	Occupancy	Energy	Actions
1	BD(1)P1(C2) 1s(24.07%)p3.10(74.62%)d0.05(1.32%)	0.777161256	-0.058552746 Hartree
2	BD(1)C2(P1) 2s(28.69%)p2.48(71.29%)d0.00(0.02%)	1.317612785	-0.270639991 Hartree
3	BD(1)P1(C13) 1s(24.14%)p3.09(74.59%)d0.05(1.27%)	0.775661567	-0.057855809 Hartree
4	BD(1)C13(P1) 13s(28.59%)p2.50(71.39%)d0.00(0.02%)	1.317173843	-0.269309139 Hartree
5	BD(1)P1(C24) 1s(24.03%)p3.11(74.68%)d0.05(1.29%)	0.775066033	-0.057067668 Hartree
6	BD(1)C24(P1) 24s(28.65%)p2.49(71.33%)d0.00(0.02%)	1.318309399	-0.269368477 Hartree
7	BD(1)P1(O35) 1s(28.09%)p2.52(70.83%)d0.04(1.08%)	0.541210492	0.005262427 Hartree
8	BD(1)O35(P1) 35s(34.67%)p1.87(64.90%)d0.01(0.43%)	1.485285744	-0.558247131 Hartree
9	BD(1)C2(C3) 2s(35.29%)p1.83(64.67%)d0.00(0.04%)	1.018535376	-0.079913555 Hartree
10	BD(1)C3(C2) 3s(34.70%)p1.88(65.26%)d0.00(0.04%)	0.979229479	-0.056325695 Hartree
11	BD(1)C2(C7) 2s(35.92%)p1.78(64.05%)d0.00(0.04%)	1.019072665	-0.078651279 Hartree
12	BD(1)C7(C2) 7s(34.72%)p1.88(65.24%)d0.00(0.04%)	0.979622935	-0.054762495 Hartree
13	BD(2)C2(C7) 2s(0.04%)p99.99(99.94%)d0.59(0.02%)	1.070170388	-0.121477792 Hartree
14	BD(2)C7(C2) 7s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.969313848	-0.107483128 Hartree
15	BD(1)C3(C4) 3s(35.59%)p1.81(64.37%)d0.00(0.04%)	1.003355713	-0.059902995 Hartree
16	BD(1)C4(C3) 4s(35.20%)p1.84(64.76%)d0.00(0.04%)	0.992501749	-0.053242111 Hartree
17	BD(2)C3(C4) 3s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.966094149	-0.107756274 Hartree
18	BD(2)C4(C3) 4s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.995549194	-0.107808313 Hartree
19	BD(1)C3(H12) 3s(29.68%)p2.37(70.27%)d0.00(0.05%)	1.244832596	-0.144282747 Hartree
20	BD(1)H12(C3) 12s(100.00%)	0.750472188	0.100191569 Hartree
21	BD(1)C4(C5) 4s(35.06%)p1.85(64.90%)d0.00(0.04%)	0.998459634	-0.059173759 Hartree
22	BD(1)C5(C4) 5s(35.13%)p1.85(64.83%)d0.00(0.04%)	0.998545983	-0.058886723 Hartree
23	BD(1)C4(H11) 4s(29.71%)p2.36(70.24%)d0.00(0.05%)	1.236274855	-0.142790095 Hartree
24	BD(1)H11(C4) 11s(100.00%)	0.758411963	0.092536490 Hartree
25	BD(1)C5(C6) 5s(35.21%)p1.84(64.75%)d0.00(0.04%)	0.998655919	-0.058236006 Hartree
26	BD(1)C6(C5) 6s(35.14%)p1.84(64.82%)d0.00(0.04%)	0.998396459	-0.058508959 Hartree
27	BD(2)C5(C6) 5s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.977006852	-0.108592406 Hartree
28	BD(2)C6(C5) 6s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.996621475	-0.108015562 Hartree
29	BD(1)C5(H10) 5s(29.62%)p2.37(70.32%)d0.00(0.05%)	1.234958497	-0.143786028 Hartree
30	BD(1)H10(C5) 10s(100.00%)	0.760190175	0.090361391 Hartree
31	BD(1)C6(C7) 6s(35.13%)p1.85(64.82%)d0.00(0.04%)	0.992230319	-0.053763129 Hartree
32	BD(1)C7(C6) 7s(35.45%)p1.82(64.51%)d0.00(0.04%)	1.003544899	-0.060395059 Hartree
33	BD(1)C6(H9) 6s(29.69%)p2.37(70.26%)d0.00(0.05%)	1.235658766	-0.142661638 Hartree
34	BD(1)H9(C6) 9s(100.00%)	0.759073063	0.091917414 Hartree
35	BD(1)C7(H8) 7s(29.81%)p2.35(70.14%)d0.00(0.05%)	1.245359870	-0.143927048 Hartree
36	BD(1)H8(C7) 8s(100.00%)	0.750814855	0.100190850 Hartree
37	BD(1)C13(C14) 13s(36.01%)p1.78(63.95%)d0.00(0.04%)	1.018237343	-0.078270947 Hartree
38	BD(1)C14(C13) 14s(34.93%)p1.86(65.03%)d0.00(0.04%)	0.982851869	-0.055162064 Hartree
39	BD(1)C13(C18) 13s(35.36%)p1.83(64.60%)d0.00(0.04%)	1.022293212	-0.076825022 Hartree
40	BD(1)C18(C13) 18s(34.32%)p1.91(65.64%)d0.00(0.04%)	0.974615127	-0.048519678 Hartree
41	BD(2)C13(C18) 13s(0.00%)p1.00(99.97%)d0.00(0.02%)	1.070031965	-0.120632209 Hartree
42	BD(2)C18(C13) 18s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.952065931	-0.100279680 Hartree
43	BD(1)C14(C15) 14s(35.60%)p1.81(64.36%)d0.00(0.04%)	1.004810950	-0.060561550 Hartree
44	BD(1)C15(C14) 15s(35.18%)p1.84(64.78%)d0.00(0.04%)	0.991195307	-0.053034126 Hartree
45	BD(2)C14(C15) 14s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.980209636	-0.110143936 Hartree
46	BD(2)C15(C14) 15s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.999973175	-0.107890861 Hartree
47	BD(1)C14(H23) 14s(29.44%)p2.40(70.51%)d0.00(0.05%)	1.235409422	-0.144338046 Hartree
48	BD(1)H23(C14) 23s(100.00%)	0.760912342	0.090573099 Hartree
49	BD(1)C15(C16) 15s(35.12%)p1.85(64.84%)d0.00(0.04%)	0.999558232	-0.059064234 Hartree
50	BD(1)C16(C15) 16s(35.08%)p1.85(64.88%)d0.00(0.04%)	0.997321507	-0.057512852 Hartree
51	BD(1)C15(H22) 15s(29.67%)p2.37(70.28%)d0.00(0.05%)	1.234730576	-0.142467432 Hartree
52	BD(1)H22(C15) 22s(100.00%)	0.760113083	0.091008957 Hartree
53	BD(1)C16(C17) 16s(35.29%)p1.83(64.67%)d0.00(0.04%)	1.000349253	-0.056798205 Hartree
54	BD(1)C17(C16) 17s(35.09%)p1.85(64.87%)d0.00(0.04%)	0.997063342	-0.055315239 Hartree
55	BD(2)C16(C17) 16s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.979257549	-0.107228915 Hartree
56	BD(2)C17(C16) 17s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.994801786	-0.105114022 Hartree
57	BD(1)C16(H21) 16s(29.59%)p2.38(70.35%)d0.00(0.05%)	1.234423970	-0.142024951 Hartree
58	BD(1)H21(C16) 21s(100.00%)	0.760755207	0.091466193 Hartree
59	BD(1)C17(C18) 17s(35.16%)p1.84(64.80%)d0.00(0.04%)	0.994610935	-0.050970479 Hartree
60	BD(1)C18(C17) 18s(35.33%)p1.83(64.63%)d0.00(0.04%)	1.001071912	-0.054623779 Hartree
61	BD(1)C17(H20) 17s(29.71%)p2.36(70.24%)d0.00(0.05%)	1.236400957	-0.139553122 Hartree
62	BD(1)H20(C17) 20s(100.00%)	0.758502922	0.096026717 Hartree
63	BD(1)C18(H19) 18s(30.33%)p2.30(69.62%)d0.00(0.05%)	1.264060385	-0.138777041 Hartree
64	BD(1)H19(C18) 19s(100.00%)	0.732825324	0.124893914 Hartree
65	BD(1)C24(C25) 24s(36.03%)p1.77(63.93%)d0.00(0.04%)	1.017510446	-0.078120601 Hartree
66	BD(1)C25(C24) 25s(34.89%)p1.87(65.07%)d0.00(0.04%)	0.983208223	-0.056282520 Hartree
67	BD(1)C24(C29) 24s(35.26%)p1.84(64.70%)d0.00(0.04%)	1.021911546	-0.076806675 Hartree
68	BD(1)C29(C24) 29s(34.38%)p1.91(65.58%)d0.00(0.04%)	0.975227016	-0.049032488 Hartree
69	BD(2)C24(C29) 24s(0.01%)p99.99(99.96%)d1.66(0.02%)	1.066053676	-0.120079652 Hartree
70	BD(2)C29(C24) 29s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.952929459	-0.100483740 Hartree
71	BD(1)C25(C26) 25s(35.60%)p1.81(64.36%)d0.00(0.04%)	1.005265188	-0.061793004 Hartree
72	BD(1)C26(C25) 26s(35.17%)p1.84(64.79%)d0.00(0.04%)	0.990995195	-0.053509198 Hartree
73	BD(2)C25(C26) 25s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.985587997	-0.111086908 Hartree
74	BD(2)C26(C25) 26s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.998634834	-0.107984953 Hartree
75	BD(1)C25(H34) 25s(29.49%)p2.39(70.46%)d0.00(0.05%)	1.237689745	-0.146951566 Hartree
76	BD(1)H34(C25) 34s(100.00%)	0.758544720	0.089580461 Hartree
77	BD(1)C26(C27) 26s(35.15%)p1.84(64.81%)d0.00(0.04%)	0.999690677	-0.059093719 Hartree
78	BD(1)C27(C26) 27s(35.12%)p1.85(64.84%)d0.00(0.04%)	0.997169909	-0.057353126 Hartree
79	BD(1)C26(H33) 26s(29.65%)p2.37(70.29%)d0.00(0.05%)	1.234627222	-0.142873553 Hartree
80	BD(1)H33(C26) 33s(100.00%)	0.760165514	0.090475682 Hartree
81	BD(1)C27(C28) 27s(35.24%)p1.84(64.72%)d0.00(0.04%)	1.000193150	-0.057383990 Hartree
82	BD(1)C28(C27) 28s(35.07%)p1.85(64.89%)d0.00(0.04%)	0.997148157	-0.056019808 Hartree
83	BD(2)C27(C28) 27s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.979302197	-0.107416230 Hartree
84	BD(2)C28(C27) 28s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.993240605	-0.105319772 Hartree
85	BD(1)C27(H32) 27s(29.60%)p2.38(70.35%)d0.00(0.05%)	1.234492236	-0.142302175 Hartree
86	BD(1)H32(C27) 32s(100.00%)	0.760673883	0.091259956 Hartree
87	BD(1)C28(C29) 28s(35.19%)p1.84(64.77%)d0.00(0.04%)	0.994554962	-0.051132262 Hartree
88	BD(1)C29(C28) 29s(35.39%)p1.82(64.57%)d0.00(0.04%)	1.001217370	-0.054809739 Hartree
89	BD(1)C28(H31) 28s(29.71%)p2.36(70.24%)d0.00(0.05%)	1.236433086	-0.139969676 Hartree
90	BD(1)H31(C28) 31s(100.00%)	0.758446916	0.095644078 Hartree
91	BD(1)C29(H30) 29s(30.22%)p2.31(69.73%)d0.00(0.05%)	1.260565281	-0.139157513 Hartree
92	BD(1)H30(C29) 30s(100.00%)	0.735859412	0.121247463 Hartree
93	CR(1)P1 s(100.00%)	1.999998803	-76.026531993 Hartree
94	CR(2)P1 s(100.00%)p0.00(0.00%)	1.998407201	-7.548608402 Hartree
95	CR(3)P1 s(0.00%)p1.00(100.00%)	1.999825137	-4.763829109 Hartree
96	CR(4)P1 s(0.00%)p1.00(100.00%)	1.999825075	-4.763944039 Hartree
97	CR(5)P1 s(0.00%)p1.00(100.00%)	1.999851672	-4.760252937 Hartree
98	CR(1)C2 s(100.00%)	1.998888676	-10.056531074 Hartree
99	CR(1)C3 s(100.00%)p0.00(0.00%)	1.999043580	-10.050820541 Hartree
100	CR(1)C4 s(100.00%)p0.00(0.00%)	1.999093357	-10.051347428 Hartree
101	CR(1)C5 s(100.00%)p0.00(0.00%)	1.999099216	-10.054249808 Hartree
102	CR(1)C6 s(100.00%)p0.00(0.00%)	1.999094495	-10.051398361 Hartree
103	CR(1)C7 s(100.00%)p0.00(0.00%)	1.999036715	-10.050247844 Hartree
104	CR(1)C13 s(100.00%)	1.998890066	-10.053379814 Hartree
105	CR(1)C14 s(100.00%)p0.00(0.00%)	1.999023121	-10.050725316 Hartree
106	CR(1)C15 s(100.00%)p0.00(0.00%)	1.999094561	-10.051075831 Hartree
107	CR(1)C16 s(100.00%)p0.00(0.00%)	1.999100489	-10.052530460 Hartree
108	CR(1)C17 s(100.00%)p0.00(0.00%)	1.999093195	-10.048572018 Hartree
109	CR(1)C18 s(100.00%)p0.00(0.00%)	1.999035729	-10.043799649 Hartree
110	CR(1)C24 s(100.00%)	1.998889070	-10.053870387 Hartree
111	CR(1)C25 s(100.00%)p0.00(0.00%)	1.999027515	-10.051173183 Hartree
112	CR(1)C26 s(100.00%)p0.00(0.00%)	1.999091844	-10.051327674 Hartree
113	CR(1)C27 s(100.00%)p0.00(0.00%)	1.999100354	-10.052827961 Hartree
114	CR(1)C28 s(100.00%)p0.00(0.00%)	1.999094571	-10.049129886 Hartree
115	CR(1)C29 s(100.00%)p0.00(0.00%)	1.999039601	-10.044794740 Hartree
116	CR(1)O35 s(100.00%)p0.00(0.00%)	1.999901538	-18.858415592 Hartree
117	LP(1)O35 s(65.18%)p0.53(34.79%)d0.00(0.04%)	1.979030431	-0.675754516 Hartree
118	LP(2)O35 s(0.01%)p99.99(99.73%)d24.48(0.26%)	1.810502971	-0.228683709 Hartree
119	LP(3)O35 s(0.13%)p99.99(99.60%)d1.98(0.26%)	1.801336168	-0.228539050 Hartree
120	RY*(1)P1 s(0.31%)p61.09(18.79%)d99.99(80.90%)	0.037139523	0.847291609 Hartree
121	RY*(2)P1 s(0.00%)p1.00(17.98%)d4.56(82.02%)	0.033033064	0.901620090 Hartree
122	RY*(3)P1 s(24.35%)p3.07(74.66%)d0.04(0.99%)	0.009560096	0.564692865 Hartree
123	RY*(4)P1 s(0.13%)p27.55(3.62%)d99.99(96.25%)	0.006123503	0.861287315 Hartree
124	RY*(5)P1 s(1.43%)p1.02(1.46%)d67.68(97.10%)	0.005410799	1.119383400 Hartree
125	RY*(6)P1 s(0.00%)p1.00(71.68%)d0.39(28.31%)	0.003324929	0.693277978 Hartree
126	RY*(7)P1 s(61.09%)p0.41(24.99%)d0.23(13.92%)	0.002648230	0.842631346 Hartree
127	RY*(8)P1 s(5.28%)p3.08(16.23%)d14.87(78.49%)	0.002613081	0.934467218 Hartree
128	RY*(9)P1 s(8.22%)p9.11(74.87%)d2.06(16.91%)	0.001395872	0.619999848 Hartree
129	RY*(10)P1 s(98.86%)p0.01(1.00%)d0.00(0.14%)	0.000020966	3.494231836 Hartree
130	RY*(1)C2 s(1.15%)p83.01(95.47%)d2.94(3.38%)	0.005954073	1.201153680 Hartree
131	RY*(2)C2 s(1.55%)p62.36(96.70%)d1.13(1.75%)	0.003413448	1.000119306 Hartree
132	RY*(3)C2 s(44.07%)p1.14(50.22%)d0.13(5.71%)	0.002251767	1.012827340 Hartree
133	RY*(4)C2 s(0.00%)p1.00(0.24%)d99.99(99.76%)	0.000667344	1.927981456 Hartree
134	RY*(5)C2 s(48.17%)p1.04(50.22%)d0.03(1.62%)	0.000631213	0.959587524 Hartree
135	RY*(6)C2 s(0.11%)p12.45(1.42%)d99.99(98.47%)	0.000219006	2.274114622 Hartree
136	RY*(7)C2 s(1.07%)p0.53(0.56%)d91.95(98.37%)	0.000194956	2.047722898 Hartree
137	RY*(8)C2 s(18.02%)p0.24(4.37%)d4.31(77.61%)	0.000088506	2.373515817 Hartree
138	RY*(9)C2 s(42.27%)p0.02(0.70%)d1.35(57.03%)	0.000052197	3.246931420 Hartree
139	RY*(10)C2 s(43.64%)p0.00(0.16%)d1.29(56.19%)	0.000012601	3.200768811 Hartree
140	RY*(1)C3 s(0.15%)p99.99(93.11%)d46.50(6.75%)	0.006038336	1.257527712 Hartree
141	RY*(2)C3 s(0.28%)p99.99(97.77%)d6.88(1.95%)	0.002783427	0.790852547 Hartree
142	RY*(3)C3 s(0.09%)p99.99(65.57%)d99.99(34.33%)	0.000858759	1.083333206 Hartree
143	RY*(4)C3 s(1.38%)p22.32(30.72%)d49.34(67.91%)	0.000526130	1.522447847 Hartree
144	RY*(5)C3 s(97.18%)p0.01(0.55%)d0.02(2.27%)	0.000361246	1.093198784 Hartree
145	RY*(6)C3 s(0.04%)p54.96(1.96%)d99.99(98.00%)	0.000121523	2.386487068 Hartree
146	RY*(7)C3 s(68.75%)p0.00(0.18%)d0.45(31.07%)	0.000049722	3.567819319 Hartree
147	RY*(8)C3 s(0.80%)p7.95(6.33%)d99.99(92.87%)	0.000033928	2.236104065 Hartree
148	RY*(9)C3 s(14.75%)p0.21(3.07%)d5.57(82.18%)	0.000026046	2.216475501 Hartree
149	RY*(10)C3 s(16.61%)p0.05(0.90%)d4.97(82.49%)	0.000016996	2.444218119 Hartree
150	RY*(1)C4 s(0.53%)p99.99(92.38%)d13.28(7.08%)	0.005132928	1.262181712 Hartree
151	RY*(2)C4 s(0.13%)p99.99(98.41%)d11.09(1.45%)	0.002826804	0.706415851 Hartree
152	RY*(3)C4 s(0.21%)p3.96(0.82%)d99.99(98.97%)	0.000574308	1.929417481 Hartree
153	RY*(4)C4 s(0.02%)p99.99(89.31%)d99.99(10.67%)	0.000410413	0.719913658 Hartree
154	RY*(5)C4 s(96.63%)p0.00(0.21%)d0.03(3.16%)	0.000278738	1.125350101 Hartree
155	RY*(6)C4 s(0.55%)p2.83(1.57%)d99.99(97.88%)	0.000104071	2.349379998 Hartree
156	RY*(7)C4 s(53.36%)p0.00(0.26%)d0.87(46.38%)	0.000047183	3.396771239 Hartree
157	RY*(8)C4 s(41.73%)p0.04(1.51%)d1.36(56.75%)	0.000008133	2.929760124 Hartree
158	RY*(9)C4 s(3.84%)p2.03(7.79%)d22.99(88.36%)	0.000010198	2.073001370 Hartree
159	RY*(10)C4 s(3.02%)p2.60(7.85%)d29.47(89.12%)	0.000004588	1.890907476 Hartree
160	RY*(1)C5 s(0.60%)p99.99(91.90%)d12.50(7.50%)	0.004819036	1.267097677 Hartree
161	RY*(2)C5 s(0.00%)p1.00(98.46%)d0.02(1.53%)	0.002726177	0.704912005 Hartree
162	RY*(3)C5 s(0.00%)p1.00(1.19%)d83.09(98.81%)	0.000622805	1.922522437 Hartree
163	RY*(4)C5 s(0.02%)p99.99(89.04%)d99.99(10.95%)	0.000422529	0.721338450 Hartree
164	RY*(5)C5 s(95.89%)p0.00(0.11%)d0.04(4.00%)	0.000253829	1.089848365 Hartree
165	RY*(6)C5 s(0.00%)p1.00(1.58%)d62.26(98.42%)	0.000104667	2.354925456 Hartree
166	RY*(7)C5 s(55.54%)p0.00(0.22%)d0.80(44.24%)	0.000047745	3.457087391 Hartree
167	RY*(8)C5 s(3.86%)p2.17(8.39%)d22.72(87.75%)	0.000002801	1.887135632 Hartree
168	RY*(9)C5 s(6.08%)p1.31(7.99%)d14.13(85.93%)	0.000011873	2.089613446 Hartree
169	RY*(10)C5 s(38.04%)p0.03(1.26%)d1.60(60.69%)	0.000005438	2.846324472 Hartree
170	RY*(1)C6 s(0.64%)p99.99(92.36%)d11.03(7.01%)	0.005179436	1.263156759 Hartree
171	RY*(2)C6 s(0.08%)p99.99(98.47%)d17.90(1.44%)	0.002806227	0.707789878 Hartree
172	RY*(3)C6 s(0.31%)p0.90(0.28%)d99.99(99.40%)	0.000569918	1.935267880 Hartree
173	RY*(4)C6 s(0.03%)p99.99(89.77%)d99.99(10.20%)	0.000419058	0.713152895 Hartree
174	RY*(5)C6 s(96.36%)p0.00(0.24%)d0.04(3.41%)	0.000280164	1.122521688 Hartree
175	RY*(6)C6 s(0.65%)p2.37(1.54%)d99.99(97.81%)	0.000104630	2.349380345 Hartree
176	RY*(7)C6 s(54.02%)p0.01(0.28%)d0.85(45.70%)	0.000047235	3.413785240 Hartree
177	RY*(8)C6 s(5.43%)p1.39(7.53%)d16.03(87.03%)	0.000005119	1.985380455 Hartree
178	RY*(9)C6 s(10.86%)p0.67(7.28%)d7.54(81.86%)	0.000010884	2.212420981 Hartree
179	RY*(10)C6 s(31.66%)p0.08(2.39%)d2.08(65.96%)	0.000006003	2.684779901 Hartree
180	RY*(1)C7 s(0.16%)p99.99(92.90%)d43.00(6.94%)	0.005790739	1.263225084 Hartree
181	RY*(2)C7 s(0.34%)p99.99(97.66%)d5.95(2.00%)	0.002725453	0.792373802 Hartree
182	RY*(3)C7 s(0.16%)p99.99(57.45%)d99.99(42.40%)	0.000894536	1.182018946 Hartree
183	RY*(4)C7 s(0.19%)p99.99(38.42%)d99.99(61.39%)	0.000508441	1.428795568 Hartree
184	RY*(5)C7 s(98.43%)p0.01(0.67%)d0.01(0.90%)	0.000355063	1.088821692 Hartree
185	RY*(6)C7 s(0.11%)p18.75(2.09%)d99.99(97.80%)	0.000115297	2.380460723 Hartree
186	RY*(7)C7 s(70.35%)p0.00(0.20%)d0.42(29.44%)	0.000050341	3.599799647 Hartree
187	RY*(8)C7 s(0.04%)p99.99(3.78%)d99.99(96.18%)	0.000025222	1.783469783 Hartree
188	RY*(9)C7 s(1.13%)p5.92(6.71%)d81.24(92.15%)	0.000027976	2.291695823 Hartree
189	RY*(10)C7 s(29.11%)p0.01(0.27%)d2.43(70.62%)	0.000010608	2.776722653 Hartree
190	RY*(1)H8 s(100.00%)	0.001067762	0.642599441 Hartree
191	RY*(1)H9 s(100.00%)	0.000839571	0.559311049 Hartree
192	RY*(1)H10 s(100.00%)	0.000834513	0.557953701 Hartree
193	RY*(1)H11 s(100.00%)	0.000843474	0.559814934 Hartree
194	RY*(1)H12 s(100.00%)	0.001063362	0.616811634 Hartree
195	RY*(1)C13 s(7.63%)p12.02(91.68%)d0.09(0.69%)	0.007391308	1.040264889 Hartree
196	RY*(2)C13 s(8.82%)p9.66(85.18%)d0.68(6.00%)	0.004561816	1.196046463 Hartree
197	RY*(3)C13 s(76.50%)p0.25(18.76%)d0.06(4.74%)	0.001133260	1.147398156 Hartree
198	RY*(4)C13 s(1.46%)p66.75(97.39%)d0.79(1.15%)	0.001091202	0.788416217 Hartree
199	RY*(5)C13 s(0.20%)p2.62(0.52%)d99.99(99.28%)	0.000664243	1.925000872 Hartree
200	RY*(6)C13 s(0.79%)p0.26(0.20%)d99.99(99.01%)	0.000247454	2.459073871 Hartree
201	RY*(7)C13 s(1.08%)p0.86(0.93%)d90.83(97.99%)	0.000151242	1.848024923 Hartree
202	RY*(8)C13 s(17.57%)p0.25(4.35%)d4.44(78.08%)	0.000093855	2.396305517 Hartree
203	RY*(9)C13 s(35.84%)p0.03(0.91%)d1.76(63.25%)	0.000054099	3.119977482 Hartree
204	RY*(10)C13 s(50.15%)p0.00(0.16%)d0.99(49.69%)	0.000015600	3.349910014 Hartree
205	RY*(1)C14 s(0.06%)p99.99(92.92%)d99.99(7.02%)	0.005667890	1.265410826 Hartree
206	RY*(2)C14 s(0.28%)p99.99(97.77%)d6.87(1.95%)	0.002838840	0.788330613 Hartree
207	RY*(3)C14 s(0.24%)p99.99(48.25%)d99.99(51.50%)	0.000799593	1.306353602 Hartree
208	RY*(4)C14 s(4.56%)p9.96(45.37%)d10.99(50.07%)	0.000497571	1.292824487 Hartree
209	RY*(5)C14 s(93.45%)p0.02(1.52%)d0.05(5.03%)	0.000343075	1.147247213 Hartree
210	RY*(6)C14 s(0.35%)p5.39(1.88%)d99.99(97.77%)	0.000113354	2.398798525 Hartree
211	RY*(7)C14 s(71.92%)p0.01(0.50%)d0.38(27.58%)	0.000051183	3.562157295 Hartree
212	RY*(8)C14 s(2.81%)p1.74(4.90%)d32.85(92.29%)	0.000021721	1.869369985 Hartree
213	RY*(9)C14 s(3.87%)p1.68(6.51%)d23.17(89.62%)	0.000030781	2.358334321 Hartree
214	RY*(10)C14 s(22.48%)p0.02(0.53%)d3.42(76.99%)	0.000014238	2.620378776 Hartree
215	RY*(1)C15 s(0.56%)p99.99(92.48%)d12.35(6.95%)	0.005190510	1.261335158 Hartree
216	RY*(2)C15 s(0.13%)p99.99(98.42%)d11.16(1.45%)	0.002827687	0.705519509 Hartree
217	RY*(3)C15 s(0.00%)p1.00(3.95%)d24.31(96.05%)	0.000592840	1.888311409 Hartree
218	RY*(4)C15 s(0.04%)p99.99(85.47%)d99.99(14.49%)	0.000411661	0.769061298 Hartree
219	RY*(5)C15 s(96.88%)p0.00(0.26%)d0.03(2.86%)	0.000287814	1.108292094 Hartree
220	RY*(6)C15 s(0.66%)p2.38(1.56%)d99.99(97.78%)	0.000102239	2.349206899 Hartree
221	RY*(7)C15 s(54.88%)p0.00(0.25%)d0.82(44.87%)	0.000047031	3.430448456 Hartree
222	RY*(8)C15 s(0.02%)p99.99(10.53%)d99.99(89.45%)	0.000001917	1.701724161 Hartree
223	RY*(9)C15 s(45.33%)p0.02(0.75%)d1.19(53.92%)	0.000008729	3.065318362 Hartree
224	RY*(10)C15 s(1.53%)p4.22(6.46%)d60.05(92.01%)	0.000010929	2.110614481 Hartree
225	RY*(1)C16 s(0.58%)p99.99(91.94%)d12.79(7.48%)	0.004817453	1.268163643 Hartree
226	RY*(2)C16 s(0.00%)p1.00(98.47%)d0.02(1.53%)	0.002729617	0.706443533 Hartree
227	RY*(3)C16 s(0.00%)p1.00(0.23%)d99.99(99.77%)	0.000621264	1.937013602 Hartree
228	RY*(4)C16 s(0.01%)p99.99(89.97%)d99.99(10.02%)	0.000423173	0.710107943 Hartree
229	RY*(5)C16 s(95.94%)p0.00(0.11%)d0.04(3.95%)	0.000255347	1.089484440 Hartree
230	RY*(6)C16 s(0.05%)p32.78(1.57%)d99.99(98.38%)	0.000104510	2.356074802 Hartree
231	RY*(7)C16 s(55.90%)p0.00(0.21%)d0.79(43.89%)	0.000047640	3.465672669 Hartree
232	RY*(8)C16 s(2.34%)p3.65(8.56%)d38.05(89.10%)	0.000002289	1.836287580 Hartree
233	RY*(9)C16 s(13.62%)p0.35(4.71%)d6.00(81.67%)	0.000007228	2.303749019 Hartree
234	RY*(10)C16 s(31.59%)p0.14(4.37%)d2.03(64.04%)	0.000010431	2.683464296 Hartree
235	RY*(1)C17 s(0.52%)p99.99(92.23%)d13.89(7.25%)	0.005055028	1.267723785 Hartree
236	RY*(2)C17 s(0.03%)p99.99(98.56%)d53.37(1.41%)	0.002773284	0.709291068 Hartree
237	RY*(3)C17 s(0.00%)p1.00(4.87%)d19.55(95.13%)	0.000571928	1.878532050 Hartree
238	RY*(4)C17 s(0.06%)p99.99(85.39%)d99.99(14.55%)	0.000396894	0.775645516 Hartree
239	RY*(5)C17 s(96.84%)p0.00(0.17%)d0.03(2.99%)	0.000264409	1.129394402 Hartree
240	RY*(6)C17 s(0.23%)p6.29(1.46%)d99.99(98.30%)	0.000108633	2.361071577 Hartree
241	RY*(7)C17 s(57.41%)p0.00(0.26%)d0.74(42.33%)	0.000047356	3.474985948 Hartree
242	RY*(8)C17 s(2.76%)p3.17(8.76%)d32.00(88.47%)	0.000004717	1.817934247 Hartree
243	RY*(9)C17 s(35.83%)p0.03(0.93%)d1.76(63.24%)	0.000007892	2.843144566 Hartree
244	RY*(10)C17 s(6.35%)p1.18(7.51%)d13.57(86.14%)	0.000011898	2.155169806 Hartree
245	RY*(1)C18 s(0.29%)p99.99(94.51%)d18.22(5.20%)	0.006948918	1.232466523 Hartree
246	RY*(2)C18 s(0.02%)p99.99(97.86%)d99.99(2.12%)	0.003170473	0.795460629 Hartree
247	RY*(3)C18 s(0.02%)p99.99(71.48%)d99.99(28.50%)	0.000925881	1.001442589 Hartree
248	RY*(4)C18 s(1.45%)p17.27(25.05%)d50.68(73.50%)	0.000549504	1.602713886 Hartree
249	RY*(5)C18 s(91.89%)p0.01(0.57%)d0.08(7.54%)	0.000442832	1.134847809 Hartree
250	RY*(6)C18 s(4.23%)p0.33(1.40%)d22.29(94.36%)	0.000121594	2.391912907 Hartree
251	RY*(7)C18 s(67.41%)p0.00(0.23%)d0.48(32.36%)	0.000051887	3.689959390 Hartree
252	RY*(8)C18 s(4.94%)p1.22(6.02%)d18.02(89.04%)	0.000038292	2.178514430 Hartree
253	RY*(9)C18 s(0.01%)p99.99(2.98%)d99.99(97.01%)	0.000021374	1.794400807 Hartree
254	RY*(10)C18 s(29.76%)p0.00(0.04%)d2.36(70.20%)	0.000008928	2.805748937 Hartree
255	RY*(1)H19 s(100.00%)	0.001701514	0.627754440 Hartree
256	RY*(1)H20 s(100.00%)	0.000844514	0.563194509 Hartree
257	RY*(1)H21 s(100.00%)	0.000832957	0.559340833 Hartree
258	RY*(1)H22 s(100.00%)	0.000842489	0.558396479 Hartree
259	RY*(1)H23 s(100.00%)	0.001236732	0.650263098 Hartree
260	RY*(1)C24 s(6.65%)p13.91(92.47%)d0.13(0.88%)	0.007021204	1.045170834 Hartree
261	RY*(2)C24 s(9.75%)p8.66(84.44%)d0.60(5.81%)	0.004466365	1.172280015 Hartree
262	RY*(3)C24 s(44.37%)p1.20(53.09%)d0.06(2.54%)	0.001485984	0.984657990 Hartree
263	RY*(4)C24 s(34.47%)p1.82(62.77%)d0.08(2.76%)	0.000835665	0.912871173 Hartree
264	RY*(5)C24 s(0.10%)p12.88(1.29%)d99.99(98.61%)	0.000663050	1.916479979 Hartree
265	RY*(6)C24 s(0.66%)p0.45(0.30%)d99.99(99.04%)	0.000248187	2.442657554 Hartree
266	RY*(7)C24 s(0.08%)p6.99(0.55%)d99.99(99.37%)	0.000164473	1.880731713 Hartree
267	RY*(8)C24 s(16.24%)p0.27(4.35%)d4.89(79.41%)	0.000093465	2.365973040 Hartree
268	RY*(9)C24 s(40.15%)p0.02(0.69%)d1.47(59.15%)	0.000054667	3.193085050 Hartree
269	RY*(10)C24 s(47.57%)p0.00(0.12%)d1.10(52.31%)	0.000014420	3.267358785 Hartree
270	RY*(1)C25 s(0.05%)p99.99(92.85%)d99.99(7.10%)	0.005601418	1.256486832 Hartree
271	RY*(2)C25 s(0.30%)p99.99(97.88%)d5.98(1.81%)	0.002830568	0.783796702 Hartree
272	RY*(3)C25 s(0.01%)p1.00(58.49%)d0.71(41.50%)	0.000825563	1.183216686 Hartree
273	RY*(4)C25 s(0.15%)p99.99(37.01%)d99.99(62.84%)	0.000532502	1.456628074 Hartree
274	RY*(5)C25 s(98.03%)p0.00(0.44%)d0.02(1.53%)	0.000348327	1.110304179 Hartree
275	RY*(6)C25 s(0.36%)p5.68(2.06%)d99.99(97.58%)	0.000115798	2.383004396 Hartree
276	RY*(7)C25 s(69.87%)p0.01(0.65%)d0.42(29.47%)	0.000051321	3.520378194 Hartree
277	RY*(8)C25 s(0.65%)p7.30(4.77%)d99.99(94.58%)	0.000026812	1.905965809 Hartree
278	RY*(9)C25 s(3.89%)p1.45(5.62%)d23.28(90.49%)	0.000035133	2.269890625 Hartree
279	RY*(10)C25 s(26.71%)p0.01(0.37%)d2.73(72.93%)	0.000011467	2.735948059 Hartree
280	RY*(1)C26 s(0.58%)p99.99(92.51%)d11.96(6.91%)	0.005210933	1.260014664 Hartree
281	RY*(2)C26 s(0.12%)p99.99(98.40%)d12.20(1.47%)	0.002816870	0.705907819 Hartree
282	RY*(3)C26 s(0.11%)p99.99(10.77%)d99.99(89.13%)	0.000607919	1.796013461 Hartree
283	RY*(4)C26 s(0.11%)p99.99(79.03%)d99.99(20.86%)	0.000421358	0.857556409 Hartree
284	RY*(5)C26 s(96.59%)p0.00(0.25%)d0.03(3.16%)	0.000290024	1.112745288 Hartree
285	RY*(6)C26 s(0.74%)p2.16(1.61%)d99.99(97.65%)	0.000101682	2.347470468 Hartree
286	RY*(7)C26 s(55.02%)p0.00(0.22%)d0.81(44.76%)	0.000046922	3.428903328 Hartree
287	RY*(8)C26 s(41.67%)p0.04(1.77%)d1.36(56.56%)	0.000008886	2.957491113 Hartree
288	RY*(9)C26 s(4.16%)p1.89(7.89%)d21.13(87.95%)	0.000004013	1.942987823 Hartree
289	RY*(10)C26 s(0.93%)p8.28(7.69%)d98.44(91.38%)	0.000008070	1.977704082 Hartree
290	RY*(1)C27 s(0.58%)p99.99(91.95%)d12.79(7.47%)	0.004823402	1.267414510 Hartree
291	RY*(2)C27 s(0.00%)p1.00(98.46%)d0.02(1.54%)	0.002724797	0.706351631 Hartree
292	RY*(3)C27 s(0.00%)p1.00(0.58%)d99.99(99.42%)	0.000620150	1.932402295 Hartree
293	RY*(4)C27 s(0.10%)p99.99(89.60%)d99.99(10.30%)	0.000427074	0.714409669 Hartree
294	RY*(5)C27 s(95.79%)p0.00(0.17%)d0.04(4.05%)	0.000252944	1.091587882 Hartree
295	RY*(6)C27 s(0.06%)p27.14(1.58%)d99.99(98.36%)	0.000104619	2.355322842 Hartree
296	RY*(7)C27 s(55.62%)p0.00(0.22%)d0.79(44.16%)	0.000047624	3.460408712 Hartree
297	RY*(8)C27 s(5.31%)p1.18(6.26%)d16.67(88.44%)	0.000010377	2.133569118 Hartree
298	RY*(9)C27 s(0.92%)p10.17(9.36%)d97.46(89.72%)	0.000002357	1.781413780 Hartree
299	RY*(10)C27 s(41.66%)p0.05(1.96%)d1.35(56.38%)	0.000007100	2.910666385 Hartree
300	RY*(1)C28 s(0.50%)p99.99(92.25%)d14.41(7.24%)	0.005044502	1.266847436 Hartree
301	RY*(2)C28 s(0.03%)p99.99(98.52%)d41.55(1.44%)	0.002767597	0.709618070 Hartree
302	RY*(3)C28 s(0.00%)p1.00(5.33%)d17.75(94.66%)	0.000580962	1.871725438 Hartree
303	RY*(4)C28 s(0.37%)p99.99(84.25%)d41.17(15.37%)	0.000387189	0.786802443 Hartree
304	RY*(5)C28 s(96.55%)p0.00(0.43%)d0.03(3.02%)	0.000261764	1.129324075 Hartree
305	RY*(6)C28 s(0.22%)p6.91(1.49%)d99.99(98.29%)	0.000108027	2.359851315 Hartree
306	RY*(7)C28 s(56.67%)p0.00(0.26%)d0.76(43.07%)	0.000047354	3.461250559 Hartree
307	RY*(8)C28 s(2.46%)p3.05(7.50%)d36.64(90.04%)	0.000011019	2.070605679 Hartree
308	RY*(9)C28 s(31.49%)p0.07(2.35%)d2.10(66.15%)	0.000007428	2.692253240 Hartree
309	RY*(10)C28 s(11.73%)p0.66(7.75%)d6.86(80.52%)	0.000005104	2.059818116 Hartree
310	RY*(1)C29 s(0.26%)p99.99(94.35%)d21.00(5.39%)	0.006866416	1.235267203 Hartree
311	RY*(2)C29 s(0.01%)p99.99(97.90%)d99.99(2.09%)	0.003124064	0.796961199 Hartree
312	RY*(3)C29 s(0.00%)p1.00(71.32%)d0.40(28.67%)	0.001006730	1.002573400 Hartree
313	RY*(4)C29 s(10.56%)p2.16(22.85%)d6.30(66.59%)	0.000511477	1.551548735 Hartree
314	RY*(5)C29 s(83.10%)p0.04(2.96%)d0.17(13.94%)	0.000424890	1.186281728 Hartree
315	RY*(6)C29 s(3.55%)p0.42(1.50%)d26.73(94.95%)	0.000119747	2.386032541 Hartree
316	RY*(7)C29 s(66.17%)p0.00(0.16%)d0.51(33.67%)	0.000051462	3.654550094 Hartree
317	RY*(8)C29 s(4.89%)p1.25(6.12%)d18.21(88.99%)	0.000035757	2.177596806 Hartree
318	RY*(9)C29 s(2.62%)p1.06(2.79%)d36.12(94.60%)	0.000017867	1.906450053 Hartree
319	RY*(10)C29 s(28.84%)p0.01(0.22%)d2.46(70.94%)	0.000013419	2.726915735 Hartree
320	RY*(1)H30 s(100.00%)	0.001676948	0.626191075 Hartree
321	RY*(1)H31 s(100.00%)	0.000844037	0.562852341 Hartree
322	RY*(1)H32 s(100.00%)	0.000832711	0.559114268 Hartree
323	RY*(1)H33 s(100.00%)	0.000842977	0.558412550 Hartree
324	RY*(1)H34 s(100.00%)	0.001060333	0.645034247 Hartree
325	RY*(1)O35 s(3.59%)p26.34(94.55%)d0.52(1.86%)	0.000789288	1.256334866 Hartree
326	RY*(2)O35 s(0.31%)p99.99(98.57%)d3.67(1.13%)	0.000675613	1.269834344 Hartree
327	RY*(3)O35 s(93.13%)p0.05(4.86%)d0.02(2.01%)	0.000226753	1.888807228 Hartree
328	RY*(4)O35 s(0.76%)p63.73(48.50%)d66.68(50.74%)	0.000116352	1.555163269 Hartree
329	RY*(5)O35 s(1.07%)p46.36(49.51%)d46.28(49.43%)	0.000044449	1.948816627 Hartree
330	RY*(6)O35 s(0.03%)p49.96(1.40%)d99.99(98.57%)	0.000014681	1.972663172 Hartree
331	RY*(7)O35 s(3.30%)p0.74(2.44%)d28.55(94.26%)	0.000014811	2.028659305 Hartree
332	RY*(8)O35 s(4.45%)p0.13(0.60%)d21.35(94.95%)	0.000017922	1.942170749 Hartree
333	RY*(9)O35 s(0.76%)p0.36(0.27%)d99.99(98.97%)	0.000013272	1.892907913 Hartree
334	RY*(10)O35 s(92.63%)p0.00(0.29%)d0.08(7.08%)	0.000002440	3.754071307 Hartree

Natural Bond Orbitals

Display Range		- / 334
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	BD(1)P1-C2	1306, 1307	1.956605402	-0.578476085 Hartree
2	BD(1)P1-C13	1308, 1309	1.957447036	-0.574555922 Hartree
3	BD(1)P1-C24	1310, 1311	1.957395204	-0.574950064 Hartree
4	BD(1)P1-O35	1312, 1313	1.986389795	-0.888118679 Hartree
5	BD(1)C2-C3	1314, 1315	1.976183420	-0.696716181 Hartree
6	BD(1)C2-C7	1316, 1317	1.976654100	-0.699452373 Hartree
7	BD(2)C2-C7	1318, 1319	1.672943582	-0.253121039 Hartree
8	BD(1)C3-C4	1320, 1321	1.979515807	-0.695418870 Hartree
9	BD(2)C3-C4	1322, 1323	1.656943033	-0.249189874 Hartree
10	BD(1)C3-H12	1324, 1325	1.981629763	-0.521461576 Hartree
11	BD(1)C4-C5	1326, 1327	1.981252304	-0.692984055 Hartree
12	BD(1)C4-H11	1328, 1329	1.982536167	-0.522712702 Hartree
13	BD(1)C5-C6	1330, 1331	1.981365376	-0.694203894 Hartree
14	BD(2)C5-C6	1332, 1333	1.653931315	-0.249059330 Hartree
15	BD(1)C5-H10	1334, 1335	1.983083152	-0.524803296 Hartree
16	BD(1)C6-C7	1336, 1337	1.979301627	-0.693721394 Hartree
17	BD(1)C6-H9	1338, 1339	1.982577470	-0.522776876 Hartree
18	BD(1)C7-H8	1340, 1341	1.981812402	-0.522379411 Hartree
19	BD(1)C13-C14	1342, 1343	1.976967732	-0.700108783 Hartree
20	BD(1)C13-C18	1344, 1345	1.975894111	-0.693274365 Hartree
21	BD(2)C13-C18	1346, 1347	1.669455365	-0.249752210 Hartree
22	BD(1)C14-C15	1348, 1349	1.979021787	-0.694739394 Hartree
23	BD(2)C14-C15	1350, 1351	1.667044016	-0.250198062 Hartree
24	BD(1)C14-H23	1352, 1353	1.981921965	-0.525763654 Hartree
25	BD(1)C15-C16	1354, 1355	1.981159596	-0.691580176 Hartree
26	BD(1)C15-H22	1356, 1357	1.982718605	-0.522896555 Hartree
27	BD(1)C16-C17	1358, 1359	1.981563545	-0.691960471 Hartree
28	BD(2)C16-C17	1360, 1361	1.656398623	-0.246991148 Hartree
29	BD(1)C16-H21	1362, 1363	1.983100489	-0.523161147 Hartree
30	BD(1)C17-C18	1364, 1365	1.979138084	-0.689525324 Hartree
31	BD(1)C17-H20	1366, 1367	1.982589816	-0.519368907 Hartree
32	BD(1)C18-H19	1368, 1369	1.980662770	-0.510303246 Hartree
33	BD(1)C24-C25	1370, 1371	1.976759560	-0.700237513 Hartree
34	BD(1)C24-C29	1372, 1373	1.975976039	-0.693002535 Hartree
35	BD(2)C24-C29	1374, 1375	1.663657978	-0.249137073 Hartree
36	BD(1)C25-C26	1376, 1377	1.979085905	-0.694844754 Hartree
37	BD(2)C25-C26	1378, 1379	1.664542146	-0.250441060 Hartree
38	BD(1)C25-H34	1380, 1381	1.982019395	-0.526096311 Hartree
39	BD(1)C26-C27	1382, 1383	1.981170352	-0.692436969 Hartree
40	BD(1)C26-H33	1384, 1385	1.982659756	-0.523294257 Hartree
41	BD(1)C27-C28	1386, 1387	1.981499186	-0.691770866 Hartree
42	BD(2)C27-C28	1388, 1389	1.651626095	-0.246918442 Hartree
43	BD(1)C27-H32	1390, 1391	1.983103274	-0.523428439 Hartree
44	BD(1)C28-C29	1392, 1393	1.979352591	-0.690592807 Hartree
45	BD(1)C28-H31	1394, 1395	1.982601681	-0.519809694 Hartree
46	BD(1)C29-H30	1396, 1397	1.980759549	-0.511637215 Hartree
47	CR(1)P1	1398	1.999998803	-76.026531993 Hartree
48	CR(2)P1	1399	1.998407201	-7.548608402 Hartree
49	CR(3)P1	1400	1.999825137	-4.763829109 Hartree
50	CR(4)P1	1401	1.999825075	-4.763944039 Hartree
51	CR(5)P1	1402	1.999851672	-4.760252937 Hartree
52	CR(1)C2	1403	1.998888676	-10.056531074 Hartree
53	CR(1)C3	1404	1.999043580	-10.050820541 Hartree
54	CR(1)C4	1405	1.999093357	-10.051347428 Hartree
55	CR(1)C5	1406	1.999099216	-10.054249808 Hartree
56	CR(1)C6	1407	1.999094495	-10.051398361 Hartree
57	CR(1)C7	1408	1.999036715	-10.050247844 Hartree
58	CR(1)C13	1409	1.998890066	-10.053379814 Hartree
59	CR(1)C14	1410	1.999023121	-10.050725316 Hartree
60	CR(1)C15	1411	1.999094561	-10.051075831 Hartree
61	CR(1)C16	1412	1.999100489	-10.052530460 Hartree
62	CR(1)C17	1413	1.999093195	-10.048572018 Hartree
63	CR(1)C18	1414	1.999035729	-10.043799649 Hartree
64	CR(1)C24	1415	1.998889070	-10.053870387 Hartree
65	CR(1)C25	1416	1.999027515	-10.051173183 Hartree
66	CR(1)C26	1417	1.999091844	-10.051327674 Hartree
67	CR(1)C27	1418	1.999100354	-10.052827961 Hartree
68	CR(1)C28	1419	1.999094571	-10.049129886 Hartree
69	CR(1)C29	1420	1.999039601	-10.044794740 Hartree
70	CR(1)O35	1421	1.999901538	-18.858415592 Hartree
71	LP(1)O35	1422	1.979030430	-0.675754516 Hartree
72	LP(2)O35	1423	1.810502971	-0.228683709 Hartree
73	LP(3)O35	1424	1.801336168	-0.228539050 Hartree
74	RY*(1)P1	1425	0.037139523	0.847291609 Hartree
75	RY*(2)P1	1426	0.033033064	0.901620090 Hartree
76	RY*(3)P1	1427	0.009560096	0.564692865 Hartree
77	RY*(4)P1	1428	0.006123503	0.861287315 Hartree
78	RY*(5)P1	1429	0.005410799	1.119383400 Hartree
79	RY*(6)P1	1430	0.003324929	0.693277978 Hartree
80	RY*(7)P1	1431	0.002648230	0.842631346 Hartree
81	RY*(8)P1	1432	0.002613081	0.934467218 Hartree
82	RY*(9)P1	1433	0.001395872	0.619999848 Hartree
83	RY*(10)P1	1434	0.000020966	3.494231836 Hartree
84	RY*(1)C2	1435	0.005954073	1.201153680 Hartree
85	RY*(2)C2	1436	0.003413448	1.000119306 Hartree
86	RY*(3)C2	1437	0.002251767	1.012827340 Hartree
87	RY*(4)C2	1438	0.000667344	1.927981456 Hartree
88	RY*(5)C2	1439	0.000631213	0.959587524 Hartree
89	RY*(6)C2	1440	0.000219006	2.274114622 Hartree
90	RY*(7)C2	1441	0.000194956	2.047722898 Hartree
91	RY*(8)C2	1442	0.000088506	2.373515817 Hartree
92	RY*(9)C2	1443	0.000052197	3.246931420 Hartree
93	RY*(10)C2	1444	0.000012601	3.200768811 Hartree
94	RY*(1)C3	1445	0.006038336	1.257527712 Hartree
95	RY*(2)C3	1446	0.002783427	0.790852547 Hartree
96	RY*(3)C3	1447	0.000858759	1.083333206 Hartree
97	RY*(4)C3	1448	0.000526130	1.522447847 Hartree
98	RY*(5)C3	1449	0.000361246	1.093198784 Hartree
99	RY*(6)C3	1450	0.000121523	2.386487068 Hartree
100	RY*(7)C3	1451	0.000049722	3.567819319 Hartree
101	RY*(8)C3	1452	0.000033928	2.236104065 Hartree
102	RY*(9)C3	1453	0.000026046	2.216475501 Hartree
103	RY*(10)C3	1454	0.000016996	2.444218119 Hartree
104	RY*(1)C4	1455	0.005132928	1.262181712 Hartree
105	RY*(2)C4	1456	0.002826804	0.706415851 Hartree
106	RY*(3)C4	1457	0.000574308	1.929417481 Hartree
107	RY*(4)C4	1458	0.000410413	0.719913658 Hartree
108	RY*(5)C4	1459	0.000278738	1.125350101 Hartree
109	RY*(6)C4	1460	0.000104071	2.349379998 Hartree
110	RY*(7)C4	1461	0.000047183	3.396771239 Hartree
111	RY*(8)C4	1462	0.000008133	2.929760124 Hartree
112	RY*(9)C4	1463	0.000010198	2.073001370 Hartree
113	RY*(10)C4	1464	0.000004588	1.890907476 Hartree
114	RY*(1)C5	1465	0.004819036	1.267097677 Hartree
115	RY*(2)C5	1466	0.002726177	0.704912005 Hartree
116	RY*(3)C5	1467	0.000622805	1.922522437 Hartree
117	RY*(4)C5	1468	0.000422529	0.721338450 Hartree
118	RY*(5)C5	1469	0.000253829	1.089848365 Hartree
119	RY*(6)C5	1470	0.000104667	2.354925456 Hartree
120	RY*(7)C5	1471	0.000047745	3.457087391 Hartree
121	RY*(8)C5	1472	0.000002801	1.887135632 Hartree
122	RY*(9)C5	1473	0.000011873	2.089613446 Hartree
123	RY*(10)C5	1474	0.000005438	2.846324472 Hartree
124	RY*(1)C6	1475	0.005179436	1.263156759 Hartree
125	RY*(2)C6	1476	0.002806227	0.707789878 Hartree
126	RY*(3)C6	1477	0.000569918	1.935267880 Hartree
127	RY*(4)C6	1478	0.000419058	0.713152895 Hartree
128	RY*(5)C6	1479	0.000280164	1.122521688 Hartree
129	RY*(6)C6	1480	0.000104630	2.349380345 Hartree
130	RY*(7)C6	1481	0.000047235	3.413785240 Hartree
131	RY*(8)C6	1482	0.000005119	1.985380455 Hartree
132	RY*(9)C6	1483	0.000010884	2.212420981 Hartree
133	RY*(10)C6	1484	0.000006003	2.684779901 Hartree
134	RY*(1)C7	1485	0.005790739	1.263225084 Hartree
135	RY*(2)C7	1486	0.002725453	0.792373802 Hartree
136	RY*(3)C7	1487	0.000894536	1.182018946 Hartree
137	RY*(4)C7	1488	0.000508441	1.428795568 Hartree
138	RY*(5)C7	1489	0.000355063	1.088821692 Hartree
139	RY*(6)C7	1490	0.000115297	2.380460723 Hartree
140	RY*(7)C7	1491	0.000050341	3.599799647 Hartree
141	RY*(8)C7	1492	0.000025222	1.783469783 Hartree
142	RY*(9)C7	1493	0.000027976	2.291695823 Hartree
143	RY*(10)C7	1494	0.000010608	2.776722653 Hartree
144	RY*(1)H8	1495	0.001067762	0.642599441 Hartree
145	RY*(1)H9	1496	0.000839571	0.559311049 Hartree
146	RY*(1)H10	1497	0.000834513	0.557953701 Hartree
147	RY*(1)H11	1498	0.000843474	0.559814934 Hartree
148	RY*(1)H12	1499	0.001063362	0.616811634 Hartree
149	RY*(1)C13	1500	0.007391308	1.040264889 Hartree
150	RY*(2)C13	1501	0.004561816	1.196046463 Hartree
151	RY*(3)C13	1502	0.001133260	1.147398156 Hartree
152	RY*(4)C13	1503	0.001091202	0.788416217 Hartree
153	RY*(5)C13	1504	0.000664243	1.925000872 Hartree
154	RY*(6)C13	1505	0.000247454	2.459073871 Hartree
155	RY*(7)C13	1506	0.000151242	1.848024923 Hartree
156	RY*(8)C13	1507	0.000093855	2.396305517 Hartree
157	RY*(9)C13	1508	0.000054099	3.119977482 Hartree
158	RY*(10)C13	1509	0.000015600	3.349910014 Hartree
159	RY*(1)C14	1510	0.005667890	1.265410826 Hartree
160	RY*(2)C14	1511	0.002838840	0.788330613 Hartree
161	RY*(3)C14	1512	0.000799593	1.306353602 Hartree
162	RY*(4)C14	1513	0.000497571	1.292824487 Hartree
163	RY*(5)C14	1514	0.000343075	1.147247213 Hartree
164	RY*(6)C14	1515	0.000113354	2.398798525 Hartree
165	RY*(7)C14	1516	0.000051183	3.562157295 Hartree
166	RY*(8)C14	1517	0.000021721	1.869369985 Hartree
167	RY*(9)C14	1518	0.000030781	2.358334321 Hartree
168	RY*(10)C14	1519	0.000014238	2.620378776 Hartree
169	RY*(1)C15	1520	0.005190510	1.261335158 Hartree
170	RY*(2)C15	1521	0.002827687	0.705519509 Hartree
171	RY*(3)C15	1522	0.000592840	1.888311409 Hartree
172	RY*(4)C15	1523	0.000411661	0.769061298 Hartree
173	RY*(5)C15	1524	0.000287814	1.108292094 Hartree
174	RY*(6)C15	1525	0.000102239	2.349206899 Hartree
175	RY*(7)C15	1526	0.000047031	3.430448456 Hartree
176	RY*(8)C15	1527	0.000001917	1.701724161 Hartree
177	RY*(9)C15	1528	0.000008729	3.065318362 Hartree
178	RY*(10)C15	1529	0.000010929	2.110614481 Hartree
179	RY*(1)C16	1530	0.004817453	1.268163643 Hartree
180	RY*(2)C16	1531	0.002729617	0.706443533 Hartree
181	RY*(3)C16	1532	0.000621264	1.937013602 Hartree
182	RY*(4)C16	1533	0.000423173	0.710107943 Hartree
183	RY*(5)C16	1534	0.000255347	1.089484440 Hartree
184	RY*(6)C16	1535	0.000104510	2.356074802 Hartree
185	RY*(7)C16	1536	0.000047640	3.465672669 Hartree
186	RY*(8)C16	1537	0.000002289	1.836287580 Hartree
187	RY*(9)C16	1538	0.000007228	2.303749019 Hartree
188	RY*(10)C16	1539	0.000010431	2.683464296 Hartree
189	RY*(1)C17	1540	0.005055028	1.267723785 Hartree
190	RY*(2)C17	1541	0.002773284	0.709291068 Hartree
191	RY*(3)C17	1542	0.000571928	1.878532050 Hartree
192	RY*(4)C17	1543	0.000396894	0.775645516 Hartree
193	RY*(5)C17	1544	0.000264409	1.129394402 Hartree
194	RY*(6)C17	1545	0.000108633	2.361071577 Hartree
195	RY*(7)C17	1546	0.000047356	3.474985948 Hartree
196	RY*(8)C17	1547	0.000004717	1.817934247 Hartree
197	RY*(9)C17	1548	0.000007892	2.843144566 Hartree
198	RY*(10)C17	1549	0.000011898	2.155169806 Hartree
199	RY*(1)C18	1550	0.006948918	1.232466523 Hartree
200	RY*(2)C18	1551	0.003170473	0.795460629 Hartree
201	RY*(3)C18	1552	0.000925881	1.001442589 Hartree
202	RY*(4)C18	1553	0.000549504	1.602713886 Hartree
203	RY*(5)C18	1554	0.000442832	1.134847809 Hartree
204	RY*(6)C18	1555	0.000121594	2.391912907 Hartree
205	RY*(7)C18	1556	0.000051887	3.689959390 Hartree
206	RY*(8)C18	1557	0.000038292	2.178514430 Hartree
207	RY*(9)C18	1558	0.000021374	1.794400807 Hartree
208	RY*(10)C18	1559	0.000008928	2.805748937 Hartree
209	RY*(1)H19	1560	0.001701514	0.627754440 Hartree
210	RY*(1)H20	1561	0.000844514	0.563194509 Hartree
211	RY*(1)H21	1562	0.000832957	0.559340833 Hartree
212	RY*(1)H22	1563	0.000842489	0.558396479 Hartree
213	RY*(1)H23	1564	0.001236732	0.650263098 Hartree
214	RY*(1)C24	1565	0.007021204	1.045170834 Hartree
215	RY*(2)C24	1566	0.004466365	1.172280015 Hartree
216	RY*(3)C24	1567	0.001485984	0.984657990 Hartree
217	RY*(4)C24	1568	0.000835665	0.912871173 Hartree
218	RY*(5)C24	1569	0.000663050	1.916479979 Hartree
219	RY*(6)C24	1570	0.000248187	2.442657554 Hartree
220	RY*(7)C24	1571	0.000164473	1.880731713 Hartree
221	RY*(8)C24	1572	0.000093465	2.365973040 Hartree
222	RY*(9)C24	1573	0.000054667	3.193085050 Hartree
223	RY*(10)C24	1574	0.000014420	3.267358785 Hartree
224	RY*(1)C25	1575	0.005601418	1.256486832 Hartree
225	RY*(2)C25	1576	0.002830568	0.783796702 Hartree
226	RY*(3)C25	1577	0.000825563	1.183216686 Hartree
227	RY*(4)C25	1578	0.000532502	1.456628074 Hartree
228	RY*(5)C25	1579	0.000348327	1.110304179 Hartree
229	RY*(6)C25	1580	0.000115798	2.383004396 Hartree
230	RY*(7)C25	1581	0.000051321	3.520378194 Hartree
231	RY*(8)C25	1582	0.000026812	1.905965809 Hartree
232	RY*(9)C25	1583	0.000035133	2.269890625 Hartree
233	RY*(10)C25	1584	0.000011467	2.735948059 Hartree
234	RY*(1)C26	1585	0.005210933	1.260014664 Hartree
235	RY*(2)C26	1586	0.002816870	0.705907819 Hartree
236	RY*(3)C26	1587	0.000607919	1.796013461 Hartree
237	RY*(4)C26	1588	0.000421358	0.857556409 Hartree
238	RY*(5)C26	1589	0.000290024	1.112745288 Hartree
239	RY*(6)C26	1590	0.000101682	2.347470468 Hartree
240	RY*(7)C26	1591	0.000046922	3.428903328 Hartree
241	RY*(8)C26	1592	0.000008886	2.957491113 Hartree
242	RY*(9)C26	1593	0.000004013	1.942987823 Hartree
243	RY*(10)C26	1594	0.000008070	1.977704082 Hartree
244	RY*(1)C27	1595	0.004823402	1.267414510 Hartree
245	RY*(2)C27	1596	0.002724797	0.706351631 Hartree
246	RY*(3)C27	1597	0.000620150	1.932402295 Hartree
247	RY*(4)C27	1598	0.000427074	0.714409669 Hartree
248	RY*(5)C27	1599	0.000252944	1.091587882 Hartree
249	RY*(6)C27	1600	0.000104619	2.355322842 Hartree
250	RY*(7)C27	1601	0.000047624	3.460408712 Hartree
251	RY*(8)C27	1602	0.000010377	2.133569118 Hartree
252	RY*(9)C27	1603	0.000002357	1.781413780 Hartree
253	RY*(10)C27	1604	0.000007100	2.910666385 Hartree
254	RY*(1)C28	1605	0.005044502	1.266847436 Hartree
255	RY*(2)C28	1606	0.002767597	0.709618070 Hartree
256	RY*(3)C28	1607	0.000580962	1.871725438 Hartree
257	RY*(4)C28	1608	0.000387189	0.786802443 Hartree
258	RY*(5)C28	1609	0.000261764	1.129324075 Hartree
259	RY*(6)C28	1610	0.000108027	2.359851315 Hartree
260	RY*(7)C28	1611	0.000047354	3.461250559 Hartree
261	RY*(8)C28	1612	0.000011019	2.070605679 Hartree
262	RY*(9)C28	1613	0.000007428	2.692253240 Hartree
263	RY*(10)C28	1614	0.000005104	2.059818116 Hartree
264	RY*(1)C29	1615	0.006866416	1.235267203 Hartree
265	RY*(2)C29	1616	0.003124064	0.796961199 Hartree
266	RY*(3)C29	1617	0.001006730	1.002573400 Hartree
267	RY*(4)C29	1618	0.000511477	1.551548735 Hartree
268	RY*(5)C29	1619	0.000424890	1.186281728 Hartree
269	RY*(6)C29	1620	0.000119747	2.386032541 Hartree
270	RY*(7)C29	1621	0.000051462	3.654550094 Hartree
271	RY*(8)C29	1622	0.000035757	2.177596806 Hartree
272	RY*(9)C29	1623	0.000017867	1.906450053 Hartree
273	RY*(10)C29	1624	0.000013419	2.726915735 Hartree
274	RY*(1)H30	1625	0.001676948	0.626191075 Hartree
275	RY*(1)H31	1626	0.000844037	0.562852341 Hartree
276	RY*(1)H32	1627	0.000832711	0.559114268 Hartree
277	RY*(1)H33	1628	0.000842977	0.558412550 Hartree
278	RY*(1)H34	1629	0.001060333	0.645034247 Hartree
279	RY*(1)O35	1630	0.000789288	1.256334866 Hartree
280	RY*(2)O35	1631	0.000675613	1.269834344 Hartree
281	RY*(3)O35	1632	0.000226753	1.888807228 Hartree
282	RY*(4)O35	1633	0.000116352	1.555163269 Hartree
283	RY*(5)O35	1634	0.000044449	1.948816627 Hartree
284	RY*(6)O35	1635	0.000014681	1.972663172 Hartree
285	RY*(7)O35	1636	0.000014811	2.028659305 Hartree
286	RY*(8)O35	1637	0.000017922	1.942170749 Hartree
287	RY*(9)O35	1638	0.000013272	1.892907913 Hartree
288	RY*(10)O35	1639	0.000002440	3.754071307 Hartree
289	BD*(1)P1-C2		0.138168639	0.249283348 Hartree
290	BD*(1)P1-C13		0.135388373	0.247390974 Hartree
291	BD*(1)P1-C24		0.135980227	0.248513920 Hartree
292	BD*(1)P1-O35		0.040106441	0.335133974 Hartree
293	BD*(1)C2-C3		0.021581435	0.560476931 Hartree
294	BD*(1)C2-C7		0.022041499	0.566038600 Hartree
295	BD*(2)C2-C7		0.366540654	0.024160120 Hartree
296	BD*(1)C3-C4		0.016341653	0.582273764 Hartree
297	BD*(2)C3-C4		0.304700310	0.033625286 Hartree
298	BD*(1)C3-H12		0.013675020	0.477370398 Hartree
299	BD*(1)C4-C5		0.015753312	0.574923573 Hartree
300	BD*(1)C4-H11		0.012150650	0.472459097 Hartree
301	BD*(1)C5-C6		0.015687000	0.577458930 Hartree
302	BD*(2)C5-C6		0.319697011	0.032451362 Hartree
303	BD*(1)C5-H10		0.012065520	0.471378659 Hartree
304	BD*(1)C6-C7		0.016473590	0.579563207 Hartree
305	BD*(1)C6-H9		0.012154359	0.472032652 Hartree
306	BD*(1)C7-H8		0.014362322	0.478643213 Hartree
307	BD*(1)C13-C14		0.024121480	0.566675772 Hartree
308	BD*(1)C13-C18		0.021014227	0.567929665 Hartree
309	BD*(2)C13-C18		0.352642531	0.028840322 Hartree
310	BD*(1)C14-C15		0.016984470	0.581143718 Hartree
311	BD*(2)C14-C15		0.313138795	0.032163265 Hartree
312	BD*(1)C14-H23		0.014399799	0.471998706 Hartree
313	BD*(1)C15-C16		0.015720142	0.575003091 Hartree
314	BD*(1)C15-H22		0.012125054	0.471438080 Hartree
315	BD*(1)C16-C17		0.015849049	0.579847027 Hartree
316	BD*(2)C16-C17		0.317660712	0.034648211 Hartree
317	BD*(1)C16-H21		0.012078689	0.472602389 Hartree
318	BD*(1)C17-C18		0.016544762	0.583931066 Hartree
319	BD*(1)C17-H20		0.012314063	0.475842503 Hartree
320	BD*(1)C18-H19		0.016222938	0.496420119 Hartree
321	BD*(1)C24-C25		0.023959109	0.565834392 Hartree
322	BD*(1)C24-C29		0.021162523	0.567163372 Hartree
323	BD*(2)C24-C29		0.355325157	0.028573681 Hartree
324	BD*(1)C25-C26		0.017174478	0.579542552 Hartree
325	BD*(2)C25-C26		0.319680685	0.031369199 Hartree
326	BD*(1)C25-H34		0.014215071	0.468725207 Hartree
327	BD*(1)C26-C27		0.015690234	0.575990124 Hartree
328	BD*(1)C26-H33		0.012132981	0.470896385 Hartree
329	BD*(1)C27-C28		0.015842120	0.578367068 Hartree
330	BD*(2)C27-C28		0.320916707	0.034182440 Hartree
331	BD*(1)C27-H32		0.012062845	0.472386219 Hartree
332	BD*(1)C28-C29		0.016419740	0.584650806 Hartree
333	BD*(1)C28-H31		0.012278321	0.475484095 Hartree
334	BD*(1)C29-H30		0.015665143	0.493727165 Hartree

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A leading authority is anyone who has guessed right more than once. -- Frank A. Clark

WebMO Job Summary

610647: C18H15OP, Natural Bond Orbitals - Gaussian

Calculated Quantities

Overview

Rotational Constants

Molecular Orbitals

Natural Population Analysis

Natural Atomic Orbitals

Natural Hybrid Orbitals

Natural Bond Orbitals

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