WebMO Job Summary

Overview

Quantity	Value
Route	#N B3LYP/6-311+G(2d,p) SP GFINPUT POP=(FULL,NBORead) Geom=Connectivity
Stoichiometry	C₁₀H₁₄O
Symmetry	C1
Basis	6-311+G(2d,p)
RB3LYP Energy	-464.863938413 Hartree
Dipole Moment	2.0090 Debye
Server	batch (413709)
CPU time	903.7 sec

Rotational Constants

Constant	Frequency (GHz)	Frequency (cm^-1)
a	3.0273552	0.10098169981
b	0.5369987	0.01791234855
c	0.4736925	0.01580068102

Partial Charges

Atom	Symbol	Charge
1	C	-0.436480
2	C	-0.479717
3	H	0.121229
4	H	0.123208
5	H	0.125050
6	C	0.931532
7	C	-0.928030
8	C	-0.000833
9	C	0.962707
10	C	-0.819303
11	C	0.064619
12	H	0.078418
13	H	0.089737
14	C	-0.211085
15	C	-0.413733
16	H	0.137037
17	H	0.128506
18	H	0.119256
19	O	-0.371609
20	H	0.236587
21	H	0.100836
22	H	0.098732
23	H	0.088955
24	H	0.125178
25	H	0.129202

Molecular Orbitals

Display Range		- / 380
Orbital	Symmetry	Occupancy	Energy	Actions
1	-	2	-19.12185 Hartree
2	-	2	-10.22799 Hartree
3	-	2	-10.18294 Hartree
4	-	2	-10.17843 Hartree
5	-	2	-10.17755 Hartree
6	-	2	-10.17504 Hartree
7	-	2	-10.17203 Hartree
8	-	2	-10.17198 Hartree
9	-	2	-10.17130 Hartree
10	-	2	-10.16474 Hartree
11	-	2	-10.16273 Hartree
12	-	2	-1.02216 Hartree
13	-	2	-0.86540 Hartree
14	-	2	-0.80094 Hartree
15	-	2	-0.76129 Hartree
16	-	2	-0.75009 Hartree
17	-	2	-0.71973 Hartree
18	-	2	-0.65585 Hartree
19	-	2	-0.61767 Hartree
20	-	2	-0.60808 Hartree
21	-	2	-0.57421 Hartree
22	-	2	-0.52465 Hartree
23	-	2	-0.48338 Hartree
24	-	2	-0.46906 Hartree
25	-	2	-0.45754 Hartree
26	-	2	-0.45669 Hartree
27	-	2	-0.44720 Hartree
28	-	2	-0.43545 Hartree
29	-	2	-0.42033 Hartree
30	-	2	-0.40288 Hartree
31	-	2	-0.38536 Hartree
32	-	2	-0.38040 Hartree
33	-	2	-0.37444 Hartree
34	-	2	-0.37260 Hartree
35	-	2	-0.34910 Hartree
36	-	2	-0.34891 Hartree
37	-	2	-0.33988 Hartree
38	-	2	-0.32355 Hartree
39	-	2	-0.28548 Hartree
40	-	2	-0.25834 Hartree
41	-	2	-0.24248 Hartree
42	-	0	-0.02316 Hartree
43	-	0	-0.01316 Hartree
44	-	0	0.00139 Hartree
45	-	0	0.00982 Hartree
46	-	0	0.01707 Hartree
47	-	0	0.02562 Hartree
48	-	0	0.03000 Hartree
49	-	0	0.03138 Hartree
50	-	0	0.04154 Hartree
51	-	0	0.04763 Hartree
52	-	0	0.05329 Hartree
53	-	0	0.05987 Hartree
54	-	0	0.06527 Hartree
55	-	0	0.07263 Hartree
56	-	0	0.07691 Hartree
57	-	0	0.08238 Hartree
58	-	0	0.08770 Hartree
59	-	0	0.09212 Hartree
60	-	0	0.10474 Hartree
61	-	0	0.10706 Hartree
62	-	0	0.10801 Hartree
63	-	0	0.11960 Hartree
64	-	0	0.12347 Hartree
65	-	0	0.13180 Hartree
66	-	0	0.13490 Hartree
67	-	0	0.13791 Hartree
68	-	0	0.14137 Hartree
69	-	0	0.14835 Hartree
70	-	0	0.15659 Hartree
71	-	0	0.16170 Hartree
72	-	0	0.17109 Hartree
73	-	0	0.17857 Hartree
74	-	0	0.18250 Hartree
75	-	0	0.18388 Hartree
76	-	0	0.18846 Hartree
77	-	0	0.19267 Hartree
78	-	0	0.19337 Hartree
79	-	0	0.19699 Hartree
80	-	0	0.19984 Hartree
81	-	0	0.20610 Hartree
82	-	0	0.20792 Hartree
83	-	0	0.21302 Hartree
84	-	0	0.21540 Hartree
85	-	0	0.22456 Hartree
86	-	0	0.22816 Hartree
87	-	0	0.23693 Hartree
88	-	0	0.23874 Hartree
89	-	0	0.24521 Hartree
90	-	0	0.24641 Hartree
91	-	0	0.24737 Hartree
92	-	0	0.25233 Hartree
93	-	0	0.25831 Hartree
94	-	0	0.26322 Hartree
95	-	0	0.27331 Hartree
96	-	0	0.28041 Hartree
97	-	0	0.28210 Hartree
98	-	0	0.28997 Hartree
99	-	0	0.30064 Hartree
100	-	0	0.30371 Hartree
101	-	0	0.31073 Hartree
102	-	0	0.31574 Hartree
103	-	0	0.32065 Hartree
104	-	0	0.32765 Hartree
105	-	0	0.33912 Hartree
106	-	0	0.34661 Hartree
107	-	0	0.35887 Hartree
108	-	0	0.36881 Hartree
109	-	0	0.38871 Hartree
110	-	0	0.39195 Hartree
111	-	0	0.39608 Hartree
112	-	0	0.45022 Hartree
113	-	0	0.45398 Hartree
114	-	0	0.45928 Hartree
115	-	0	0.46642 Hartree
116	-	0	0.48523 Hartree
117	-	0	0.49636 Hartree
118	-	0	0.50899 Hartree
119	-	0	0.51739 Hartree
120	-	0	0.52180 Hartree
121	-	0	0.52510 Hartree
122	-	0	0.52832 Hartree
123	-	0	0.53632 Hartree
124	-	0	0.54738 Hartree
125	-	0	0.55014 Hartree
126	-	0	0.55298 Hartree
127	-	0	0.56772 Hartree
128	-	0	0.57327 Hartree
129	-	0	0.58177 Hartree
130	-	0	0.59563 Hartree
131	-	0	0.60058 Hartree
132	-	0	0.60306 Hartree
133	-	0	0.61085 Hartree
134	-	0	0.61916 Hartree
135	-	0	0.62385 Hartree
136	-	0	0.63693 Hartree
137	-	0	0.63873 Hartree
138	-	0	0.64184 Hartree
139	-	0	0.64976 Hartree
140	-	0	0.65153 Hartree
141	-	0	0.66187 Hartree
142	-	0	0.66502 Hartree
143	-	0	0.67259 Hartree
144	-	0	0.67966 Hartree
145	-	0	0.69135 Hartree
146	-	0	0.69654 Hartree
147	-	0	0.70425 Hartree
148	-	0	0.70995 Hartree
149	-	0	0.71921 Hartree
150	-	0	0.72877 Hartree
151	-	0	0.74117 Hartree
152	-	0	0.74843 Hartree
153	-	0	0.75838 Hartree
154	-	0	0.76837 Hartree
155	-	0	0.77932 Hartree
156	-	0	0.79051 Hartree
157	-	0	0.79430 Hartree
158	-	0	0.81524 Hartree
159	-	0	0.82273 Hartree
160	-	0	0.83514 Hartree
161	-	0	0.84030 Hartree
162	-	0	0.84671 Hartree
163	-	0	0.85616 Hartree
164	-	0	0.87419 Hartree
165	-	0	0.87818 Hartree
166	-	0	0.89480 Hartree
167	-	0	0.89567 Hartree
168	-	0	0.91789 Hartree
169	-	0	0.93339 Hartree
170	-	0	0.96059 Hartree
171	-	0	0.96786 Hartree
172	-	0	0.98650 Hartree
173	-	0	1.00773 Hartree
174	-	0	1.01766 Hartree
175	-	0	1.01935 Hartree
176	-	0	1.05181 Hartree
177	-	0	1.06224 Hartree
178	-	0	1.06901 Hartree
179	-	0	1.07837 Hartree
180	-	0	1.09816 Hartree
181	-	0	1.10514 Hartree
182	-	0	1.12211 Hartree
183	-	0	1.12986 Hartree
184	-	0	1.14776 Hartree
185	-	0	1.16886 Hartree
186	-	0	1.18174 Hartree
187	-	0	1.18462 Hartree
188	-	0	1.18946 Hartree
189	-	0	1.21210 Hartree
190	-	0	1.23126 Hartree
191	-	0	1.23807 Hartree
192	-	0	1.25808 Hartree
193	-	0	1.26419 Hartree
194	-	0	1.28631 Hartree
195	-	0	1.28977 Hartree
196	-	0	1.30572 Hartree
197	-	0	1.31588 Hartree
198	-	0	1.32352 Hartree
199	-	0	1.33432 Hartree
200	-	0	1.34086 Hartree
201	-	0	1.34817 Hartree
202	-	0	1.37242 Hartree
203	-	0	1.38892 Hartree
204	-	0	1.39766 Hartree
205	-	0	1.40479 Hartree
206	-	0	1.42669 Hartree
207	-	0	1.44655 Hartree
208	-	0	1.45800 Hartree
209	-	0	1.46395 Hartree
210	-	0	1.47117 Hartree
211	-	0	1.49288 Hartree
212	-	0	1.51299 Hartree
213	-	0	1.52944 Hartree
214	-	0	1.58563 Hartree
215	-	0	1.63076 Hartree
216	-	0	1.65072 Hartree
217	-	0	1.67065 Hartree
218	-	0	1.68917 Hartree
219	-	0	1.70096 Hartree
220	-	0	1.71215 Hartree
221	-	0	1.72529 Hartree
222	-	0	1.74933 Hartree
223	-	0	1.75244 Hartree
224	-	0	1.76824 Hartree
225	-	0	1.77849 Hartree
226	-	0	1.78899 Hartree
227	-	0	1.80014 Hartree
228	-	0	1.82439 Hartree
229	-	0	1.84662 Hartree
230	-	0	1.86119 Hartree
231	-	0	1.90191 Hartree
232	-	0	1.93042 Hartree
233	-	0	1.94478 Hartree
234	-	0	1.95395 Hartree
235	-	0	1.99495 Hartree
236	-	0	2.00785 Hartree
237	-	0	2.03916 Hartree
238	-	0	2.07375 Hartree
239	-	0	2.09308 Hartree
240	-	0	2.11876 Hartree
241	-	0	2.16706 Hartree
242	-	0	2.18442 Hartree
243	-	0	2.19822 Hartree
244	-	0	2.20599 Hartree
245	-	0	2.22936 Hartree
246	-	0	2.24144 Hartree
247	-	0	2.24555 Hartree
248	-	0	2.26897 Hartree
249	-	0	2.28874 Hartree
250	-	0	2.31973 Hartree
251	-	0	2.34097 Hartree
252	-	0	2.36314 Hartree
253	-	0	2.37118 Hartree
254	-	0	2.38358 Hartree
255	-	0	2.40172 Hartree
256	-	0	2.41703 Hartree
257	-	0	2.44843 Hartree
258	-	0	2.44991 Hartree
259	-	0	2.47462 Hartree
260	-	0	2.49848 Hartree
261	-	0	2.52342 Hartree
262	-	0	2.54214 Hartree
263	-	0	2.56855 Hartree
264	-	0	2.62464 Hartree
265	-	0	2.63563 Hartree
266	-	0	2.64283 Hartree
267	-	0	2.67503 Hartree
268	-	0	2.70360 Hartree
269	-	0	2.73471 Hartree
270	-	0	2.74464 Hartree
271	-	0	2.75852 Hartree
272	-	0	2.76521 Hartree
273	-	0	2.77592 Hartree
274	-	0	2.78055 Hartree
275	-	0	2.80056 Hartree
276	-	0	2.86570 Hartree
277	-	0	2.87705 Hartree
278	-	0	2.88540 Hartree
279	-	0	2.89385 Hartree
280	-	0	2.89970 Hartree
281	-	0	2.93248 Hartree
282	-	0	2.93608 Hartree
283	-	0	2.97769 Hartree
284	-	0	2.99032 Hartree
285	-	0	3.00841 Hartree
286	-	0	3.04090 Hartree
287	-	0	3.06451 Hartree
288	-	0	3.08132 Hartree
289	-	0	3.10781 Hartree
290	-	0	3.12527 Hartree
291	-	0	3.15913 Hartree
292	-	0	3.18134 Hartree
293	-	0	3.18938 Hartree
294	-	0	3.20033 Hartree
295	-	0	3.24377 Hartree
296	-	0	3.25346 Hartree
297	-	0	3.26191 Hartree
298	-	0	3.27763 Hartree
299	-	0	3.30427 Hartree
300	-	0	3.31023 Hartree
301	-	0	3.32867 Hartree
302	-	0	3.33652 Hartree
303	-	0	3.37879 Hartree
304	-	0	3.38702 Hartree
305	-	0	3.40895 Hartree
306	-	0	3.42680 Hartree
307	-	0	3.43247 Hartree
308	-	0	3.43697 Hartree
309	-	0	3.44675 Hartree
310	-	0	3.45572 Hartree
311	-	0	3.46849 Hartree
312	-	0	3.49997 Hartree
313	-	0	3.50792 Hartree
314	-	0	3.52056 Hartree
315	-	0	3.52535 Hartree
316	-	0	3.53538 Hartree
317	-	0	3.54648 Hartree
318	-	0	3.57714 Hartree
319	-	0	3.58493 Hartree
320	-	0	3.59522 Hartree
321	-	0	3.61122 Hartree
322	-	0	3.61838 Hartree
323	-	0	3.63073 Hartree
324	-	0	3.64224 Hartree
325	-	0	3.66541 Hartree
326	-	0	3.66610 Hartree
327	-	0	3.67527 Hartree
328	-	0	3.68543 Hartree
329	-	0	3.70216 Hartree
330	-	0	3.71934 Hartree
331	-	0	3.73711 Hartree
332	-	0	3.75952 Hartree
333	-	0	3.77877 Hartree
334	-	0	3.82345 Hartree
335	-	0	3.83412 Hartree
336	-	0	3.84850 Hartree
337	-	0	3.89913 Hartree
338	-	0	3.92127 Hartree
339	-	0	3.94893 Hartree
340	-	0	3.97691 Hartree
341	-	0	4.00914 Hartree
342	-	0	4.06056 Hartree
343	-	0	4.10673 Hartree
344	-	0	4.12074 Hartree
345	-	0	4.13873 Hartree
346	-	0	4.15142 Hartree
347	-	0	4.19976 Hartree
348	-	0	4.20961 Hartree
349	-	0	4.21589 Hartree
350	-	0	4.22921 Hartree
351	-	0	4.24099 Hartree
352	-	0	4.28505 Hartree
353	-	0	4.30089 Hartree
354	-	0	4.48110 Hartree
355	-	0	4.52291 Hartree
356	-	0	4.56100 Hartree
357	-	0	4.67943 Hartree
358	-	0	4.70177 Hartree
359	-	0	4.84257 Hartree
360	-	0	4.95325 Hartree
361	-	0	5.13765 Hartree
362	-	0	5.32029 Hartree
363	-	0	5.42520 Hartree
364	-	0	5.76647 Hartree
365	-	0	6.90328 Hartree
366	-	0	7.01001 Hartree
367	-	0	7.06634 Hartree
368	-	0	7.19158 Hartree
369	-	0	7.35225 Hartree
370	-	0	23.66889 Hartree
371	-	0	23.89799 Hartree
372	-	0	23.92725 Hartree
373	-	0	24.00571 Hartree
374	-	0	24.03872 Hartree
375	-	0	24.03890 Hartree
376	-	0	24.12678 Hartree
377	-	0	24.14990 Hartree
378	-	0	24.19763 Hartree
379	-	0	24.25584 Hartree
380	-	0	49.99447 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom	Symbol	Charge
1	C	-0.39760
2	C	-0.57458
3	H	0.20390
4	H	0.19638
5	H	0.19728
6	C	-0.02566
7	C	-0.20934
8	C	-0.17716
9	C	-0.07730
10	C	-0.19912
11	C	-0.19695
12	H	0.20068
13	H	0.20624
14	C	0.10928
15	C	-0.59559
16	H	0.21424
17	H	0.20389
18	H	0.19342
19	O	-0.74013
20	H	0.45752
21	H	0.18138
22	H	0.21278
23	H	0.20618
24	H	0.20442
25	H	0.20586

Natural Atomic Orbitals

Display Range		- / 381
Orbital	Description	Occupancy	Energy	Actions
1	C1 Cor(1S)	1.999234560	-10.035272178 Hartree
2	C1 Val(2S)	1.017143390	-0.226137995 Hartree
3	C1 Ryd(3S)	0.001984512	0.988758473 Hartree
4	C1 Ryd(4S)	0.000211244	1.092117210 Hartree
5	C1 Ryd(5S)	0.000002798	22.938999129 Hartree
6	C1 Val(2p)	1.046339689	-0.079197527 Hartree
7	C1 Ryd(4p)	0.001511059	0.610677792 Hartree
8	C1 Ryd(3p)	0.000471117	0.363135615 Hartree
9	C1 Ryd(5p)	0.000169007	3.348131089 Hartree
10	C1 Val(2p)	1.123596838	-0.094262528 Hartree
11	C1 Ryd(4p)	0.003124444	0.620897253 Hartree
12	C1 Ryd(3p)	0.000279519	0.386216020 Hartree
13	C1 Ryd(5p)	0.000137262	3.249569863 Hartree
14	C1 Val(2p)	1.196177134	-0.091114469 Hartree
15	C1 Ryd(4p)	0.001786271	0.619720803 Hartree
16	C1 Ryd(3p)	0.000146199	0.247793105 Hartree
17	C1 Ryd(5p)	0.000058215	3.233691406 Hartree
18	C1 Ryd(3d)	0.000598697	1.884687159 Hartree
19	C1 Ryd(4d)	0.000192526	3.275707799 Hartree
20	C1 Ryd(3d)	0.000474362	1.684356093 Hartree
21	C1 Ryd(4d)	0.000065471	2.736382964 Hartree
22	C1 Ryd(3d)	0.001402455	1.810978447 Hartree
23	C1 Ryd(4d)	0.000094782	3.093386622 Hartree
24	C1 Ryd(3d)	0.000901179	1.848313277 Hartree
25	C1 Ryd(4d)	0.000252952	3.272460596 Hartree
26	C1 Ryd(3d)	0.001162065	1.835518773 Hartree
27	C1 Ryd(4d)	0.000085573	3.074764910 Hartree
28	C2 Cor(1S)	1.999378132	-10.023807323 Hartree
29	C2 Val(2S)	1.084058583	-0.250882229 Hartree
30	C2 Ryd(3S)	0.000692005	0.720318791 Hartree
31	C2 Ryd(4S)	0.000211820	0.931114001 Hartree
32	C2 Ryd(5S)	0.000000754	23.218049494 Hartree
33	C2 Val(2p)	1.162755237	-0.092331769 Hartree
34	C2 Ryd(4p)	0.002151473	0.694714073 Hartree
35	C2 Ryd(3p)	0.000269548	0.219481945 Hartree
36	C2 Ryd(5p)	0.000056146	3.264767607 Hartree
37	C2 Val(2p)	1.114961583	-0.087612235 Hartree
38	C2 Ryd(4p)	0.001149911	0.516409993 Hartree
39	C2 Ryd(3p)	0.000221544	0.226983277 Hartree
40	C2 Ryd(5p)	0.000097925	3.250336825 Hartree
41	C2 Val(2p)	1.202975946	-0.092463410 Hartree
42	C2 Ryd(4p)	0.000680727	0.524789246 Hartree
43	C2 Ryd(3p)	0.000072723	0.215008512 Hartree
44	C2 Ryd(5p)	0.000020028	3.204946361 Hartree
45	C2 Ryd(3d)	0.000958438	1.929307908 Hartree
46	C2 Ryd(4d)	0.000012970	2.987311526 Hartree
47	C2 Ryd(3d)	0.000253696	1.669710021 Hartree
48	C2 Ryd(4d)	0.000040390	2.660657614 Hartree
49	C2 Ryd(3d)	0.001388560	1.909884167 Hartree
50	C2 Ryd(4d)	0.000041885	2.923946635 Hartree
51	C2 Ryd(3d)	0.000732534	1.830254146 Hartree
52	C2 Ryd(4d)	0.000058356	2.834452405 Hartree
53	C2 Ryd(3d)	0.001294368	1.868384856 Hartree
54	C2 Ryd(4d)	0.000046295	2.907103946 Hartree
55	H3 Val(1S)	0.795023960	0.036199551 Hartree
56	H3 Ryd(2S)	0.000544346	0.642782000 Hartree
57	H3 Ryd(3S)	0.000098624	2.142367064 Hartree
58	H3 Ryd(2p)	0.000227547	2.807681419 Hartree
59	H3 Ryd(2p)	0.000103237	2.120076957 Hartree
60	H3 Ryd(2p)	0.000104806	1.953304871 Hartree
61	H4 Val(1S)	0.802102630	0.032417203 Hartree
62	H4 Ryd(2S)	0.000907595	0.664535863 Hartree
63	H4 Ryd(3S)	0.000112903	2.187704134 Hartree
64	H4 Ryd(2p)	0.000122015	2.033792095 Hartree
65	H4 Ryd(2p)	0.000153564	2.227650848 Hartree
66	H4 Ryd(2p)	0.000217217	2.626024793 Hartree
67	H5 Val(1S)	0.801149062	0.033040750 Hartree
68	H5 Ryd(2S)	0.000971467	0.655642982 Hartree
69	H5 Ryd(3S)	0.000113971	2.189394180 Hartree
70	H5 Ryd(2p)	0.000123261	2.059717845 Hartree
71	H5 Ryd(2p)	0.000180525	2.401858726 Hartree
72	H5 Ryd(2p)	0.000184895	2.436881703 Hartree
73	C6 Cor(1S)	1.999019859	-10.034467525 Hartree
74	C6 Val(2S)	0.886296298	-0.134215081 Hartree
75	C6 Ryd(3S)	0.000804068	0.987164892 Hartree
76	C6 Ryd(4S)	0.000233067	1.750712215 Hartree
77	C6 Ryd(5S)	0.000009399	21.089024613 Hartree
78	C6 Val(2p)	1.056115027	-0.049849622 Hartree
79	C6 Ryd(4p)	0.006205275	1.255384819 Hartree
80	C6 Ryd(3p)	0.000396115	0.899810409 Hartree
81	C6 Ryd(5p)	0.000089532	3.375166098 Hartree
82	C6 Val(2p)	1.081219692	-0.052485899 Hartree
83	C6 Ryd(4p)	0.004074085	1.007678541 Hartree
84	C6 Ryd(3p)	0.000408515	0.679602350 Hartree
85	C6 Ryd(5p)	0.000165615	3.553857845 Hartree
86	C6 Val(2p)	0.983329201	-0.097549254 Hartree
87	C6 Ryd(4p)	0.001346169	0.604476194 Hartree
88	C6 Ryd(3p)	0.000388322	0.568318524 Hartree
89	C6 Ryd(5p)	0.000046953	2.675599520 Hartree
90	C6 Ryd(3d)	0.000695168	2.034869832 Hartree
91	C6 Ryd(4d)	0.000811495	3.791540072 Hartree
92	C6 Ryd(3d)	0.000304896	1.165081055 Hartree
93	C6 Ryd(4d)	0.000289908	3.498850972 Hartree
94	C6 Ryd(3d)	0.000248462	1.276480891 Hartree
95	C6 Ryd(4d)	0.000307590	3.467230467 Hartree
96	C6 Ryd(3d)	0.000750096	2.051028533 Hartree
97	C6 Ryd(4d)	0.000771822	3.665946270 Hartree
98	C6 Ryd(3d)	0.001225706	1.609677776 Hartree
99	C6 Ryd(4d)	0.000104102	3.561179855 Hartree
100	C7 Cor(1S)	1.999039857	-10.020668474 Hartree
101	C7 Val(2S)	0.935540416	-0.149765951 Hartree
102	C7 Ryd(4S)	0.001216796	1.280448371 Hartree
103	C7 Ryd(3S)	0.000133588	1.038920204 Hartree
104	C7 Ryd(5S)	0.000014287	21.080472023 Hartree
105	C7 Val(2p)	1.108405010	-0.049135936 Hartree
106	C7 Ryd(4p)	0.004063868	1.158523275 Hartree
107	C7 Ryd(3p)	0.000403668	0.643152184 Hartree
108	C7 Ryd(5p)	0.000152804	3.453961572 Hartree
109	C7 Val(2p)	1.133950331	-0.049610701 Hartree
110	C7 Ryd(4p)	0.005267474	1.009538695 Hartree
111	C7 Ryd(3p)	0.000294708	0.604522617 Hartree
112	C7 Ryd(5p)	0.000098621	3.384349144 Hartree
113	C7 Val(2p)	1.014014578	-0.104904176 Hartree
114	C7 Ryd(4p)	0.001275397	0.544353127 Hartree
115	C7 Ryd(3p)	0.000521372	0.384561006 Hartree
116	C7 Ryd(5p)	0.000023044	2.836915680 Hartree
117	C7 Ryd(3d)	0.000738166	2.201166071 Hartree
118	C7 Ryd(4d)	0.000819214	3.630900212 Hartree
119	C7 Ryd(3d)	0.000319761	1.482631643 Hartree
120	C7 Ryd(4d)	0.000142076	3.043812055 Hartree
121	C7 Ryd(3d)	0.000447602	1.485141043 Hartree
122	C7 Ryd(4d)	0.000061751	3.042543222 Hartree
123	C7 Ryd(3d)	0.000823663	2.166275597 Hartree
124	C7 Ryd(4d)	0.000271173	3.587888794 Hartree
125	C7 Ryd(3d)	0.001224700	1.842844940 Hartree
126	C7 Ryd(4d)	0.000078149	3.288433391 Hartree
127	C8 Cor(1S)	1.999048475	-10.020910253 Hartree
128	C8 Val(2S)	0.936962742	-0.150771769 Hartree
129	C8 Ryd(4S)	0.001490028	1.236138864 Hartree
130	C8 Ryd(3S)	0.000139426	1.224755451 Hartree
131	C8 Ryd(5S)	0.000011881	21.008601388 Hartree
132	C8 Val(2p)	1.078652258	-0.043019850 Hartree
133	C8 Ryd(4p)	0.004418886	1.014738283 Hartree
134	C8 Ryd(3p)	0.000334304	0.559363413 Hartree
135	C8 Ryd(5p)	0.000181393	3.511123546 Hartree
136	C8 Val(2p)	1.155708321	-0.052105735 Hartree
137	C8 Ryd(4p)	0.006678417	1.070922790 Hartree
138	C8 Ryd(3p)	0.000227506	0.419398141 Hartree
139	C8 Ryd(5p)	0.000081812	3.491981590 Hartree
140	C8 Val(2p)	0.986503899	-0.102995322 Hartree
141	C8 Ryd(4p)	0.001249478	0.555134849 Hartree
142	C8 Ryd(3p)	0.000437107	0.352841510 Hartree
143	C8 Ryd(5p)	0.000032065	2.852066081 Hartree
144	C8 Ryd(3d)	0.000787599	2.053018661 Hartree
145	C8 Ryd(4d)	0.000624413	3.629963519 Hartree
146	C8 Ryd(3d)	0.000247707	1.399183004 Hartree
147	C8 Ryd(4d)	0.000206422	3.152528185 Hartree
148	C8 Ryd(3d)	0.000451702	1.350351592 Hartree
149	C8 Ryd(4d)	0.000085484	3.106521092 Hartree
150	C8 Ryd(3d)	0.000710154	2.253046693 Hartree
151	C8 Ryd(4d)	0.000529555	3.710876187 Hartree
152	C8 Ryd(3d)	0.001298085	1.784581008 Hartree
153	C8 Ryd(4d)	0.000062784	3.360849888 Hartree
154	C9 Cor(1S)	1.998976126	-10.030326429 Hartree
155	C9 Val(2S)	0.890304147	-0.136499240 Hartree
156	C9 Ryd(3S)	0.000971159	1.027040226 Hartree
157	C9 Ryd(4S)	0.000165526	1.398060671 Hartree
158	C9 Ryd(5S)	0.000010548	21.319548396 Hartree
159	C9 Val(2p)	1.060733713	-0.054886250 Hartree
160	C9 Ryd(4p)	0.005811666	1.250699869 Hartree
161	C9 Ryd(3p)	0.000244496	0.684543289 Hartree
162	C9 Ryd(5p)	0.000096227	3.608770924 Hartree
163	C9 Val(2p)	1.085944099	-0.056150745 Hartree
164	C9 Ryd(4p)	0.004415188	1.036279591 Hartree
165	C9 Ryd(3p)	0.000330195	0.580047192 Hartree
166	C9 Ryd(5p)	0.000206810	3.729815444 Hartree
167	C9 Val(2p)	1.021155821	-0.101840398 Hartree
168	C9 Ryd(4p)	0.001901697	0.595536935 Hartree
169	C9 Ryd(3p)	0.000419036	0.437812083 Hartree
170	C9 Ryd(5p)	0.000028216	2.899203294 Hartree
171	C9 Ryd(3d)	0.000737722	2.046434975 Hartree
172	C9 Ryd(4d)	0.000721012	3.798940544 Hartree
173	C9 Ryd(3d)	0.000385258	1.188406624 Hartree
174	C9 Ryd(4d)	0.000224749	3.512502178 Hartree
175	C9 Ryd(3d)	0.000226668	1.280624152 Hartree
176	C9 Ryd(4d)	0.000308081	3.466916725 Hartree
177	C9 Ryd(3d)	0.000733766	2.074805270 Hartree
178	C9 Ryd(4d)	0.000759971	3.651332239 Hartree
179	C9 Ryd(3d)	0.001398642	1.616846227 Hartree
180	C9 Ryd(4d)	0.000084698	3.562869116 Hartree
181	C10 Cor(1S)	1.999044151	-10.023910080 Hartree
182	C10 Val(2S)	0.935384109	-0.153203176 Hartree
183	C10 Ryd(3S)	0.001410379	1.186177136 Hartree
184	C10 Ryd(4S)	0.000118469	1.341021945 Hartree
185	C10 Ryd(5S)	0.000012149	20.854351005 Hartree
186	C10 Val(2p)	1.108261455	-0.051393575 Hartree
187	C10 Ryd(4p)	0.003985574	1.174758397 Hartree
188	C10 Ryd(3p)	0.000356825	0.607742100 Hartree
189	C10 Ryd(5p)	0.000140319	3.449843229 Hartree
190	C10 Val(2p)	1.134467769	-0.051328576 Hartree
191	C10 Ryd(4p)	0.005478297	1.001992726 Hartree
192	C10 Ryd(3p)	0.000306109	0.576884948 Hartree
193	C10 Ryd(5p)	0.000110751	3.412623146 Hartree
194	C10 Val(2p)	1.003407611	-0.106970195 Hartree
195	C10 Ryd(4p)	0.001148122	0.547997898 Hartree
196	C10 Ryd(3p)	0.000524019	0.363342128 Hartree
197	C10 Ryd(5p)	0.000023517	2.839748457 Hartree
198	C10 Ryd(3d)	0.000759769	2.175928391 Hartree
199	C10 Ryd(4d)	0.000822534	3.648554119 Hartree
200	C10 Ryd(3d)	0.000320452	1.445630426 Hartree
201	C10 Ryd(4d)	0.000148849	3.071971004 Hartree
202	C10 Ryd(3d)	0.000436435	1.454923005 Hartree
203	C10 Ryd(4d)	0.000076083	3.079829335 Hartree
204	C10 Ryd(3d)	0.000739279	2.153098606 Hartree
205	C10 Ryd(4d)	0.000325631	3.606088327 Hartree
206	C10 Ryd(3d)	0.001228997	1.822247083 Hartree
207	C10 Ryd(4d)	0.000082689	3.316728801 Hartree
208	C11 Cor(1S)	1.999044722	-10.021578708 Hartree
209	C11 Val(2S)	0.934605870	-0.151338105 Hartree
210	C11 Ryd(4S)	0.001281814	1.352258013 Hartree
211	C11 Ryd(3S)	0.000116774	0.816730969 Hartree
212	C11 Ryd(5S)	0.000013546	21.321085848 Hartree
213	C11 Val(2p)	1.079837037	-0.046395583 Hartree
214	C11 Ryd(4p)	0.004297686	0.989629219 Hartree
215	C11 Ryd(3p)	0.000425024	0.623620399 Hartree
216	C11 Ryd(5p)	0.000177821	3.497295031 Hartree
217	C11 Val(2p)	1.150654402	-0.055350523 Hartree
218	C11 Ryd(4p)	0.006286148	1.077502496 Hartree
219	C11 Ryd(3p)	0.000272644	0.399418345 Hartree
220	C11 Ryd(5p)	0.000093713	3.468913539 Hartree
221	C11 Val(2p)	1.013108141	-0.105825758 Hartree
222	C11 Ryd(4p)	0.001219104	0.545301537 Hartree
223	C11 Ryd(3p)	0.000454772	0.336973324 Hartree
224	C11 Ryd(5p)	0.000031119	2.844133746 Hartree
225	C11 Ryd(3d)	0.000803051	2.029073434 Hartree
226	C11 Ryd(4d)	0.000657856	3.632827305 Hartree
227	C11 Ryd(3d)	0.000247581	1.378426821 Hartree
228	C11 Ryd(4d)	0.000208647	3.158656991 Hartree
229	C11 Ryd(3d)	0.000433893	1.327003081 Hartree
230	C11 Ryd(4d)	0.000076457	3.125705843 Hartree
231	C11 Ryd(3d)	0.000731002	2.225214202 Hartree
232	C11 Ryd(4d)	0.000535877	3.713258071 Hartree
233	C11 Ryd(3d)	0.001284612	1.765479921 Hartree
234	C11 Ryd(4d)	0.000050603	3.374003314 Hartree
235	H12 Val(1S)	0.797677967	0.044156585 Hartree
236	H12 Ryd(2S)	0.000826140	1.308324534 Hartree
237	H12 Ryd(3S)	0.000137556	1.801167217 Hartree
238	H12 Ryd(2p)	0.000104423	2.646638566 Hartree
239	H12 Ryd(2p)	0.000372048	2.852932541 Hartree
240	H12 Ryd(2p)	0.000204913	1.974430427 Hartree
241	H13 Val(1S)	0.792166868	0.049927416 Hartree
242	H13 Ryd(2S)	0.000739766	1.265724922 Hartree
243	H13 Ryd(3S)	0.000170085	1.771717286 Hartree
244	H13 Ryd(2p)	0.000175058	2.731698287 Hartree
245	H13 Ryd(2p)	0.000313548	2.805707093 Hartree
246	H13 Ryd(2p)	0.000197630	1.980660682 Hartree
247	C14 Cor(1S)	1.999088343	-10.099520835 Hartree
248	C14 Val(2S)	0.939215713	-0.212259466 Hartree
249	C14 Ryd(4S)	0.001799585	1.116031272 Hartree
250	C14 Ryd(3S)	0.000228905	0.902378190 Hartree
251	C14 Ryd(5S)	0.000012685	23.136198928 Hartree
252	C14 Val(2p)	1.017230523	-0.079305631 Hartree
253	C14 Ryd(4p)	0.002895311	0.892507949 Hartree
254	C14 Ryd(3p)	0.000647188	0.728758711 Hartree
255	C14 Ryd(5p)	0.000127281	2.682952397 Hartree
256	C14 Val(2p)	0.931610364	-0.082739323 Hartree
257	C14 Ryd(4p)	0.007647531	0.939019749 Hartree
258	C14 Ryd(3p)	0.000597991	0.772769368 Hartree
259	C14 Ryd(5p)	0.000078449	2.605727501 Hartree
260	C14 Val(2p)	0.978380614	-0.091046698 Hartree
261	C14 Ryd(4p)	0.001783840	0.815327471 Hartree
262	C14 Ryd(3p)	0.000619042	0.757647003 Hartree
263	C14 Ryd(5p)	0.000076223	2.698111953 Hartree
264	C14 Ryd(3d)	0.000978775	1.908241014 Hartree
265	C14 Ryd(4d)	0.000385319	3.287497205 Hartree
266	C14 Ryd(3d)	0.000878138	1.745714477 Hartree
267	C14 Ryd(4d)	0.000150324	2.820580792 Hartree
268	C14 Ryd(3d)	0.001991918	1.884559479 Hartree
269	C14 Ryd(4d)	0.000421029	3.065804357 Hartree
270	C14 Ryd(3d)	0.001244990	1.867758062 Hartree
271	C14 Ryd(4d)	0.000312600	3.287302058 Hartree
272	C14 Ryd(3d)	0.002106554	1.876221351 Hartree
273	C14 Ryd(4d)	0.000208238	3.083937988 Hartree
274	C15 Cor(1S)	1.999330410	-10.020421335 Hartree
275	C15 Val(2S)	1.091613716	-0.251664936 Hartree
276	C15 Ryd(3S)	0.000692301	0.779309041 Hartree
277	C15 Ryd(4S)	0.000203917	0.806096909 Hartree
278	C15 Ryd(5S)	0.000003517	23.319978199 Hartree
279	C15 Val(2p)	1.174219210	-0.094784508 Hartree
280	C15 Ryd(4p)	0.002113978	0.720774859 Hartree
281	C15 Ryd(3p)	0.000347931	0.341627230 Hartree
282	C15 Ryd(5p)	0.000052327	3.146339701 Hartree
283	C15 Val(2p)	1.116009206	-0.091732157 Hartree
284	C15 Ryd(4p)	0.001766295	0.536250836 Hartree
285	C15 Ryd(3p)	0.000190178	0.353117947 Hartree
286	C15 Ryd(5p)	0.000082019	3.153234677 Hartree
287	C15 Val(2p)	1.202194185	-0.094059237 Hartree
288	C15 Ryd(4p)	0.001305777	0.555113524 Hartree
289	C15 Ryd(3p)	0.000106115	0.337455291 Hartree
290	C15 Ryd(5p)	0.000022023	3.098504905 Hartree
291	C15 Ryd(3d)	0.001118096	1.804898569 Hartree
292	C15 Ryd(4d)	0.000040705	3.131224065 Hartree
293	C15 Ryd(3d)	0.000431028	1.538768773 Hartree
294	C15 Ryd(4d)	0.000071232	2.801051188 Hartree
295	C15 Ryd(3d)	0.001236510	1.766686289 Hartree
296	C15 Ryd(4d)	0.000106241	3.097714163 Hartree
297	C15 Ryd(3d)	0.000791586	1.688250013 Hartree
298	C15 Ryd(4d)	0.000082500	3.006149509 Hartree
299	C15 Ryd(3d)	0.001409182	1.739784490 Hartree
300	C15 Ryd(4d)	0.000051291	3.072677654 Hartree
301	H16 Val(1S)	0.784434738	0.045040110 Hartree
302	H16 Ryd(2S)	0.000740920	0.868760617 Hartree
303	H16 Ryd(3S)	0.000138140	1.916167634 Hartree
304	H16 Ryd(2p)	0.000232612	2.822057657 Hartree
305	H16 Ryd(2p)	0.000122889	2.150465243 Hartree
306	H16 Ryd(2p)	0.000094369	1.963099606 Hartree
307	H17 Val(1S)	0.794772536	0.030443089 Hartree
308	H17 Ryd(2S)	0.000726322	0.765899983 Hartree
309	H17 Ryd(3S)	0.000127563	2.072533538 Hartree
310	H17 Ryd(2p)	0.000125945	2.072351950 Hartree
311	H17 Ryd(2p)	0.000179924	2.434110278 Hartree
312	H17 Ryd(2p)	0.000179952	2.444014917 Hartree
313	H18 Val(1S)	0.804550997	0.026187179 Hartree
314	H18 Ryd(2S)	0.001426315	0.798288327 Hartree
315	H18 Ryd(3S)	0.000096988	2.046176750 Hartree
316	H18 Ryd(2p)	0.000121265	2.041245355 Hartree
317	H18 Ryd(2p)	0.000167893	2.227736088 Hartree
318	H18 Ryd(2p)	0.000220132	2.629844015 Hartree
319	O19 Cor(1S)	1.999799278	-18.914276126 Hartree
320	O19 Val(2S)	1.684806830	-0.897836766 Hartree
321	O19 Ryd(3S)	0.000496474	1.335658676 Hartree
322	O19 Ryd(4S)	0.000226903	2.051344275 Hartree
323	O19 Ryd(5S)	0.000000175	49.487180317 Hartree
324	O19 Val(2p)	1.887814116	-0.296665871 Hartree
325	O19 Ryd(3p)	0.002705637	0.649770045 Hartree
326	O19 Ryd(4p)	0.000157512	1.089870954 Hartree
327	O19 Ryd(5p)	0.000010955	5.002931731 Hartree
328	O19 Val(2p)	1.726077272	-0.299475690 Hartree
329	O19 Ryd(3p)	0.001744341	0.612753332 Hartree
330	O19 Ryd(4p)	0.000343927	1.047373081 Hartree
331	O19 Ryd(5p)	0.000020200	5.015717605 Hartree
332	O19 Val(2p)	1.427254110	-0.269366322 Hartree
333	O19 Ryd(3p)	0.002818321	0.685407272 Hartree
334	O19 Ryd(4p)	0.000263995	1.050520254 Hartree
335	O19 Ryd(5p)	0.000008547	5.179498138 Hartree
336	O19 Ryd(3d)	0.001572478	2.107286351 Hartree
337	O19 Ryd(4d)	0.000013505	6.910587374 Hartree
338	O19 Ryd(3d)	0.000499012	2.211615353 Hartree
339	O19 Ryd(4d)	0.000031134	6.950679339 Hartree
340	O19 Ryd(3d)	0.001020961	2.306265475 Hartree
341	O19 Ryd(4d)	0.000044680	7.105298807 Hartree
342	O19 Ryd(3d)	0.001609651	2.093805573 Hartree
343	O19 Ryd(4d)	0.000026377	6.885159104 Hartree
344	O19 Ryd(3d)	0.000731636	2.424151348 Hartree
345	O19 Ryd(4d)	0.000035853	7.084240936 Hartree
346	H20 Val(1S)	0.538084959	0.119455089 Hartree
347	H20 Ryd(2S)	0.000829086	0.878251444 Hartree
348	H20 Ryd(3S)	0.000442477	1.979884051 Hartree
349	H20 Ryd(2p)	0.001407466	1.834265321 Hartree
350	H20 Ryd(2p)	0.001057640	1.894400211 Hartree
351	H20 Ryd(2p)	0.000658264	2.683582709 Hartree
352	H21 Val(1S)	0.815649285	0.019962348 Hartree
353	H21 Ryd(2S)	0.002171759	0.437899281 Hartree
354	H21 Ryd(3S)	0.000161986	2.360431001 Hartree
355	H21 Ryd(2p)	0.000164087	2.256917704 Hartree
356	H21 Ryd(2p)	0.000208021	2.379705737 Hartree
357	H21 Ryd(2p)	0.000261260	2.806552737 Hartree
358	H22 Val(1S)	0.785578341	0.057779758 Hartree
359	H22 Ryd(2S)	0.000814976	1.382616994 Hartree
360	H22 Ryd(3S)	0.000167582	1.700869261 Hartree
361	H22 Ryd(2p)	0.000109291	2.668179238 Hartree
362	H22 Ryd(2p)	0.000357272	2.865625187 Hartree
363	H22 Ryd(2p)	0.000193334	1.988556211 Hartree
364	H23 Val(1S)	0.792180709	0.052760210 Hartree
365	H23 Ryd(2S)	0.000801298	1.273657426 Hartree
366	H23 Ryd(3S)	0.000146444	1.786812801 Hartree
367	H23 Ryd(2p)	0.000172031	2.732295144 Hartree
368	H23 Ryd(2p)	0.000315622	2.805531834 Hartree
369	H23 Ryd(2p)	0.000206457	1.978261654 Hartree
370	H24 Val(1S)	0.793674669	0.030611979 Hartree
371	H24 Ryd(2S)	0.001232846	0.746768924 Hartree
372	H24 Ryd(3S)	0.000124768	2.196408613 Hartree
373	H24 Ryd(2p)	0.000142673	2.210804128 Hartree
374	H24 Ryd(2p)	0.000181300	2.342660065 Hartree
375	H24 Ryd(2p)	0.000223045	2.636608489 Hartree
376	H25 Val(1S)	0.792246938	0.030617362 Hartree
377	H25 Ryd(2S)	0.001223047	0.743803562 Hartree
378	H25 Ryd(3S)	0.000120761	2.195321832 Hartree
379	H25 Ryd(2p)	0.000149007	2.236757544 Hartree
380	H25 Ryd(2p)	0.000220645	2.478118494 Hartree
381	H25 Ryd(2p)	0.000179886	2.468398074 Hartree

Natural Hybrid Orbitals

Display Range		- / 381
Orbital	Description	Occupancy	Energy	Actions
1	BD(1)C1(C2) 1s(28.60%)p2.49(71.35%)d0.00(0.06%)	1.015305956	-0.119719913 Hartree
2	BD(1)C2(C1) 2s(29.69%)p2.37(70.22%)d0.00(0.09%)	0.980648563	-0.105691520 Hartree
3	BD(1)C1(C6) 1s(29.14%)p2.43(70.76%)d0.00(0.10%)	0.991249697	-0.095195700 Hartree
4	BD(1)C6(C1) 6s(31.51%)p2.17(68.45%)d0.00(0.04%)	1.011459778	-0.103111584 Hartree
5	BD(1)C1(H24) 1s(21.23%)p3.71(78.68%)d0.00(0.09%)	1.191537785	-0.130092183 Hartree
6	BD(1)H24(C1) 24s(99.97%)p0.00(0.03%)	0.793914776	0.032564166 Hartree
7	BD(1)C1(H25) 1s(21.15%)p3.72(78.76%)d0.00(0.09%)	1.191850875	-0.130322849 Hartree
8	BD(1)H25(C1) 25s(99.97%)p0.00(0.03%)	0.792485714	0.032640790 Hartree
9	BD(1)C2(H3) 2s(23.28%)p3.29(76.63%)d0.00(0.09%)	1.198186921	-0.132115928 Hartree
10	BD(1)H3(C2) 3s(99.98%)p0.00(0.02%)	0.795212726	0.037429235 Hartree
11	BD(1)C2(H4) 2s(23.52%)p3.25(76.38%)d0.00(0.10%)	1.195582562	-0.136038442 Hartree
12	BD(1)H4(C2) 4s(99.98%)p0.00(0.02%)	0.802305018	0.034155548 Hartree
13	BD(1)C2(H5) 2s(23.52%)p3.25(76.38%)d0.00(0.10%)	1.196636916	-0.136131784 Hartree
14	BD(1)H5(C2) 5s(99.98%)p0.00(0.02%)	0.801347672	0.034822502 Hartree
15	BD(1)C6(C7) 6s(34.35%)p1.91(65.59%)d0.00(0.06%)	1.009497072	-0.061320149 Hartree
16	BD(1)C7(C6) 7s(35.81%)p1.79(64.07%)d0.00(0.11%)	0.988220759	-0.049567541 Hartree
17	BD(1)C6(C11) 6s(34.06%)p1.93(65.86%)d0.00(0.08%)	1.008472074	-0.060569204 Hartree
18	BD(1)C11(C6) 11s(36.12%)p1.77(63.77%)d0.00(0.11%)	0.987142890	-0.050963339 Hartree
19	BD(2)C6(C11) 6s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.980671344	-0.098730905 Hartree
20	BD(2)C11(C6) 11s(0.00%)p1.00(99.97%)d0.00(0.03%)	1.008469423	-0.107594718 Hartree
21	BD(1)C7(C8) 7s(35.91%)p1.78(63.98%)d0.00(0.11%)	0.998121627	-0.054982355 Hartree
22	BD(1)C8(C7) 8s(35.99%)p1.78(63.90%)d0.00(0.11%)	0.993417897	-0.053669935 Hartree
23	BD(2)C7(C8) 7s(0.00%)p1.00(99.97%)d0.00(0.03%)	1.011784128	-0.107038311 Hartree
24	BD(2)C8(C7) 8s(0.00%)p1.00(99.97%)d0.00(0.03%)	0.980646366	-0.104308478 Hartree
25	BD(1)C7(H23) 7s(28.14%)p2.55(71.82%)d0.00(0.04%)	1.200535314	-0.124523261 Hartree
26	BD(1)H23(C7) 23s(99.96%)p0.00(0.04%)	0.792549960	0.055424092 Hartree
27	BD(1)C8(C9) 8s(35.87%)p1.78(64.02%)d0.00(0.11%)	0.984236306	-0.049483839 Hartree
28	BD(1)C9(C8) 9s(34.15%)p1.93(65.77%)d0.00(0.08%)	1.011009414	-0.062106808 Hartree
29	BD(1)C8(H22) 8s(28.00%)p2.57(71.96%)d0.00(0.04%)	1.206225497	-0.124843301 Hartree
30	BD(1)H22(C8) 22s(99.96%)p0.00(0.04%)	0.785931741	0.060306676 Hartree
31	BD(1)C9(C10) 9s(34.82%)p1.87(65.11%)d0.00(0.07%)	1.008960652	-0.064173768 Hartree
32	BD(1)C10(C9) 10s(35.88%)p1.78(64.01%)d0.00(0.11%)	0.988577674	-0.052971214 Hartree
33	BD(2)C9(C10) 9s(0.00%)p1.00(99.97%)d0.00(0.03%)	1.020829010	-0.103138541 Hartree
34	BD(2)C10(C9) 10s(0.00%)p1.00(99.97%)d0.00(0.03%)	1.001862172	-0.108971228 Hartree
35	BD(1)C9(C14) 9s(30.95%)p2.23(69.01%)d0.00(0.04%)	1.020719605	-0.108701281 Hartree
36	BD(1)C14(C9) 14s(29.67%)p2.37(70.23%)d0.00(0.10%)	0.993955840	-0.101268748 Hartree
37	BD(1)C10(C11) 10s(35.93%)p1.78(63.97%)d0.00(0.10%)	0.997543550	-0.056574054 Hartree
38	BD(1)C11(C10) 11s(36.01%)p1.77(63.87%)d0.00(0.11%)	0.994054691	-0.056375388 Hartree
39	BD(1)C10(H13) 10s(28.05%)p2.56(71.90%)d0.00(0.04%)	1.200083934	-0.127100748 Hartree
40	BD(1)H13(C10) 13s(99.96%)p0.00(0.04%)	0.792536451	0.052509080 Hartree
41	BD(1)C11(H12) 11s(27.72%)p2.61(72.24%)d0.00(0.04%)	1.195382216	-0.127362028 Hartree
42	BD(1)H12(C11) 12s(99.96%)p0.00(0.04%)	0.798043612	0.046722245 Hartree
43	BD(1)C14(C15) 14s(29.29%)p2.41(70.65%)d0.00(0.06%)	1.017568587	-0.126413573 Hartree
44	BD(1)C15(C14) 15s(29.07%)p2.44(70.83%)d0.00(0.11%)	0.993976814	-0.109247598 Hartree
45	BD(1)C14(O19) 14s(19.90%)p4.02(79.92%)d0.01(0.19%)	0.682786325	-0.085567371 Hartree
46	BD(1)O19(C14) 19s(29.90%)p2.34(69.99%)d0.00(0.11%)	1.340716900	-0.441045438 Hartree
47	BD(1)C14(H21) 14s(21.12%)p3.73(78.75%)d0.01(0.13%)	1.179215526	-0.133050209 Hartree
48	BD(1)H21(C14) 21s(99.97%)p0.00(0.03%)	0.815899127	0.022654385 Hartree
49	BD(1)C15(H16) 15s(23.64%)p3.23(76.27%)d0.00(0.09%)	1.208303084	-0.133535490 Hartree
50	BD(1)H16(C15) 16s(99.98%)p0.00(0.02%)	0.784619845	0.046336635 Hartree
51	BD(1)C15(H17) 15s(23.62%)p3.23(76.28%)d0.00(0.10%)	1.195489474	-0.136771217 Hartree
52	BD(1)H17(C15) 17s(99.97%)p0.00(0.03%)	0.794977175	0.031906390 Hartree
53	BD(1)C15(H18) 15s(23.64%)p3.23(76.26%)d0.00(0.10%)	1.192778425	-0.139478527 Hartree
54	BD(1)H18(C15) 18s(99.97%)p0.00(0.03%)	0.804760647	0.028203533 Hartree
55	BD(1)O19(H20) 19s(20.79%)p3.81(79.12%)d0.00(0.09%)	1.458744047	-0.407985552 Hartree
56	BD(1)H20(O19) 20s(99.88%)p0.00(0.12%)	0.538692079	0.128241381 Hartree
57	CR(1)C1 s(100.00%)p0.00(0.00%)	1.999231131	-10.035190201 Hartree
58	CR(1)C2 s(100.00%)p0.00(0.00%)	1.999376012	-10.023653979 Hartree
59	CR(1)C6 s(100.00%)	1.999020706	-10.034498904 Hartree
60	CR(1)C7 s(100.00%)p0.00(0.00%)	1.999042628	-10.020960311 Hartree
61	CR(1)C8 s(100.00%)p0.00(0.00%)	1.999051379	-10.021152407 Hartree
62	CR(1)C9 s(100.00%)p0.00(0.00%)	1.998976920	-10.030388082 Hartree
63	CR(1)C10 s(100.00%)p0.00(0.00%)	1.999046927	-10.024180002 Hartree
64	CR(1)C11 s(100.00%)p0.00(0.00%)	1.999047709	-10.021856323 Hartree
65	CR(1)C14 s(100.00%)p0.00(0.00%)	1.999089654	-10.099434523 Hartree
66	CR(1)C15 s(100.00%)p0.00(0.00%)	1.999328353	-10.020326955 Hartree
67	CR(1)O19 s(100.00%)	1.999798810	-18.914599921 Hartree
68	LP(1)O19 s(49.21%)p1.03(50.75%)d0.00(0.04%)	1.978485260	-0.611220358 Hartree
69	LP(2)O19 s(0.06%)p99.99(99.86%)d1.35(0.08%)	1.957951302	-0.297954259 Hartree
70	RY*(1)C1 s(3.40%)p27.10(92.08%)d1.33(4.52%)	0.003623836	0.891772470 Hartree
71	RY*(2)C1 s(0.14%)p99.99(82.94%)d99.99(16.92%)	0.001911327	0.881883058 Hartree
72	RY*(3)C1 s(21.36%)p2.59(55.25%)d1.10(23.39%)	0.000958212	1.348009575 Hartree
73	RY*(4)C1 s(26.09%)p1.68(43.93%)d1.15(29.99%)	0.000551186	1.325206777 Hartree
74	RY*(5)C1 s(12.32%)p3.81(46.93%)d3.31(40.76%)	0.000430550	1.231796916 Hartree
75	RY*(6)C1 s(1.45%)p4.85(7.01%)d63.32(91.54%)	0.000304497	2.035128047 Hartree
76	RY*(7)C1 s(34.23%)p1.53(52.43%)d0.39(13.34%)	0.000276135	1.442501801 Hartree
77	RY*(8)C1 s(5.88%)p8.78(51.68%)d7.21(42.43%)	0.000160923	2.321774274 Hartree
78	RY*(9)C1 s(0.59%)p9.50(5.65%)d99.99(93.76%)	0.000054634	1.494743422 Hartree
79	RY*(10)C1 s(28.76%)p0.79(22.76%)d1.69(48.48%)	0.000052044	2.182430779 Hartree
80	RY*(11)C1 s(25.37%)p1.36(34.60%)d1.58(40.03%)	0.000060188	0.987212644 Hartree
81	RY*(12)C1 s(0.01%)p1.00(98.52%)d0.01(1.47%)	0.000000541	3.234886719 Hartree
82	RY*(13)C1 s(2.33%)p17.28(40.32%)d24.58(57.35%)	0.000008138	1.669833795 Hartree
83	RY*(14)C1 s(9.42%)p0.82(7.72%)d8.79(82.86%)	0.000010011	3.236824389 Hartree
84	RY*(15)C1 s(17.37%)p0.76(13.19%)d4.00(69.44%)	0.000003709	1.854948054 Hartree
85	RY*(16)C1 s(0.77%)p8.69(6.66%)d99.99(92.57%)	0.000003482	2.009939375 Hartree
86	RY*(17)C1 s(7.19%)p11.00(79.02%)d1.92(13.79%)	0.000001793	2.676247264 Hartree
87	RY*(18)C1 s(0.01%)p99.99(9.58%)d99.99(90.41%)	0.000002782	3.456219921 Hartree
88	RY*(19)C1 s(1.45%)p36.23(52.68%)d31.54(45.86%)	0.000007886	1.377874846 Hartree
89	RY*(20)C1 s(98.61%)p0.01(0.83%)d0.01(0.56%)	0.000000897	22.723757007 Hartree
90	RY*(21)C1 s(0.30%)p99.99(93.71%)d19.64(5.98%)	0.000001425	0.280903475 Hartree
91	RY*(22)C1 s(2.83%)p1.05(2.97%)d33.25(94.20%)	0.000003678	3.536905940 Hartree
92	RY*(1)C2 s(3.79%)p24.05(91.09%)d1.35(5.12%)	0.002169633	0.833765525 Hartree
93	RY*(2)C2 s(0.01%)p1.00(82.67%)d0.21(17.32%)	0.000821450	0.962776991 Hartree
94	RY*(3)C2 s(40.90%)p1.27(51.89%)d0.18(7.22%)	0.000412369	1.657904970 Hartree
95	RY*(4)C2 s(24.79%)p2.16(53.46%)d0.88(21.74%)	0.000271483	1.008003239 Hartree
96	RY*(5)C2 s(17.01%)p3.05(51.83%)d1.83(31.16%)	0.000208528	0.892371464 Hartree
97	RY*(6)C2 s(0.56%)p86.50(48.01%)d92.67(51.43%)	0.000108701	1.281434784 Hartree
98	RY*(7)C2 s(1.13%)p8.56(9.71%)d78.63(89.16%)	0.000079219	1.515499637 Hartree
99	RY*(8)C2 s(1.41%)p43.92(62.14%)d25.76(36.45%)	0.000024563	1.638951145 Hartree
100	RY*(9)C2 s(20.21%)p2.83(57.10%)d1.12(22.70%)	0.000009985	1.356765631 Hartree
101	RY*(10)C2 s(99.72%)p0.00(0.18%)d0.00(0.10%)	0.000000232	23.135317316 Hartree
102	RY*(11)C2 s(0.47%)p99.99(72.28%)d57.92(27.25%)	0.000008258	2.060992276 Hartree
103	RY*(12)C2 s(0.30%)p99.99(99.54%)d0.53(0.16%)	0.000000190	3.198531482 Hartree
104	RY*(13)C2 s(1.54%)p20.08(30.87%)d43.97(67.59%)	0.000001805	1.365096842 Hartree
105	RY*(14)C2 s(0.46%)p23.04(10.54%)d99.99(89.00%)	0.000003468	2.874390114 Hartree
106	RY*(15)C2 s(0.04%)p99.99(4.36%)d99.99(95.60%)	0.000000097	3.153793531 Hartree
107	RY*(16)C2 s(60.65%)p0.62(37.86%)d0.02(1.49%)	0.000001757	1.364117202 Hartree
108	RY*(17)C2 s(0.02%)p99.99(36.20%)d99.99(63.78%)	0.000001160	1.293919070 Hartree
109	RY*(18)C2 s(0.10%)p41.33(4.01%)d99.99(95.89%)	0.000000105	2.476013177 Hartree
110	RY*(19)C2 s(3.19%)p4.01(12.77%)d26.36(84.04%)	0.000007969	1.985651938 Hartree
111	RY*(20)C2 s(4.42%)p5.91(26.15%)d15.69(69.43%)	0.000007950	2.236649230 Hartree
112	RY*(21)C2 s(18.58%)p2.56(47.60%)d1.82(33.82%)	0.000009687	0.952407653 Hartree
113	RY*(22)C2 s(0.71%)p14.33(10.13%)d99.99(89.16%)	0.000001995	3.250114819 Hartree
114	RY*(1)H3 s(92.30%)p0.08(7.70%)	0.000587261	0.834409824 Hartree
115	RY*(2)H3 s(57.80%)p0.73(42.20%)	0.000130527	2.061135428 Hartree
116	RY*(3)H3 s(0.04%)p99.99(99.96%)	0.000104188	1.945167990 Hartree
117	RY*(4)H3 s(43.61%)p1.29(56.39%)	0.000056865	2.140735910 Hartree
118	RY*(5)H3 s(6.27%)p14.94(93.73%)	0.000010953	2.683533475 Hartree
119	RY*(1)H4 s(98.05%)p0.02(1.95%)	0.000925912	0.721337895 Hartree
120	RY*(2)H4 s(49.68%)p1.01(50.32%)	0.000164183	2.040971293 Hartree
121	RY*(3)H4 s(2.76%)p35.17(97.24%)	0.000118310	2.048330772 Hartree
122	RY*(4)H4 s(48.39%)p1.07(51.61%)	0.000060357	2.158842834 Hartree
123	RY*(5)H4 s(1.14%)p87.10(98.86%)	0.000042144	2.768486594 Hartree
124	RY*(1)H5 s(97.94%)p0.02(2.06%)	0.000992304	0.711854702 Hartree
125	RY*(2)H5 s(50.16%)p0.99(49.84%)	0.000166214	2.052223679 Hartree
126	RY*(3)H5 s(1.96%)p49.98(98.04%)	0.000114954	2.045995519 Hartree
127	RY*(4)H5 s(32.71%)p2.06(67.29%)	0.000054398	2.523227990 Hartree
128	RY*(5)H5 s(17.26%)p4.80(82.74%)	0.000047639	2.408411795 Hartree
129	RY*(1)C6 s(2.74%)p32.98(90.27%)d2.56(6.99%)	0.006575610	1.332384332 Hartree
130	RY*(2)C6 s(1.01%)p87.22(88.01%)d10.88(10.98%)	0.004171963	1.149520817 Hartree
131	RY*(3)C6 s(15.05%)p2.54(38.31%)d3.10(46.64%)	0.001563209	2.108479061 Hartree
132	RY*(4)C6 s(3.64%)p21.85(79.45%)d4.65(16.92%)	0.001447847	1.038017846 Hartree
133	RY*(5)C6 s(17.44%)p0.56(9.83%)d4.17(72.74%)	0.000846750	2.046680343 Hartree
134	RY*(6)C6 s(27.47%)p0.58(15.86%)d2.06(56.67%)	0.000468899	1.469532307 Hartree
135	RY*(7)C6 s(2.92%)p0.47(1.38%)d32.79(95.70%)	0.000429648	3.044987818 Hartree
136	RY*(8)C6 s(32.23%)p1.05(33.87%)d1.05(33.90%)	0.000328999	1.780019388 Hartree
137	RY*(9)C6 s(0.20%)p99.99(28.61%)d99.99(71.19%)	0.000212895	1.628626537 Hartree
138	RY*(10)C6 s(32.04%)p1.09(34.93%)d1.03(33.03%)	0.000147134	2.227282442 Hartree
139	RY*(11)C6 s(9.88%)p2.25(22.29%)d6.86(67.83%)	0.000081336	3.172336312 Hartree
140	RY*(12)C6 s(11.76%)p5.36(63.08%)d2.14(25.16%)	0.000075242	2.707863388 Hartree
141	RY*(13)C6 s(10.09%)p6.55(66.16%)d2.35(23.75%)	0.000059577	2.474900570 Hartree
142	RY*(14)C6 s(23.99%)p0.75(18.02%)d2.42(57.99%)	0.000039025	2.671805072 Hartree
143	RY*(15)C6 s(3.90%)p14.74(57.50%)d9.90(38.60%)	0.000040199	3.720885807 Hartree
144	RY*(16)C6 s(0.30%)p28.70(8.72%)d99.99(90.98%)	0.000029452	1.572275392 Hartree
145	RY*(17)C6 s(0.03%)p99.99(96.56%)d99.99(3.41%)	0.000000321	2.736321590 Hartree
146	RY*(18)C6 s(92.55%)p0.03(3.05%)d0.05(4.40%)	0.000001032	18.428942185 Hartree
147	RY*(19)C6 s(7.91%)p7.93(62.75%)d3.71(29.33%)	0.000009753	2.705315349 Hartree
148	RY*(20)C6 s(0.14%)p99.99(68.73%)d99.99(31.13%)	0.000003258	0.774621956 Hartree
149	RY*(21)C6 s(0.09%)p99.99(12.44%)d99.99(87.48%)	0.000001182	2.317657298 Hartree
150	RY*(22)C6 s(4.69%)p0.07(0.32%)d20.25(94.99%)	0.000002128	3.449889296 Hartree
151	RY*(1)C7 s(0.06%)p99.99(90.70%)d99.99(9.24%)	0.005684081	1.337782043 Hartree
152	RY*(2)C7 s(0.32%)p99.99(97.30%)d7.46(2.38%)	0.002129730	1.446785501 Hartree
153	RY*(3)C7 s(0.01%)p1.00(86.81%)d0.15(13.18%)	0.001063321	0.445627322 Hartree
154	RY*(4)C7 s(56.41%)p0.09(5.22%)d0.68(38.36%)	0.000919844	1.802328224 Hartree
155	RY*(5)C7 s(9.34%)p5.17(48.29%)d4.54(42.37%)	0.000435796	1.788553141 Hartree
156	RY*(6)C7 s(1.28%)p2.05(2.63%)d74.82(96.08%)	0.000405591	2.620805904 Hartree
157	RY*(7)C7 s(14.25%)p2.04(29.02%)d3.98(56.74%)	0.000240718	1.430651561 Hartree
158	RY*(8)C7 s(24.57%)p0.88(21.57%)d2.19(53.86%)	0.000191990	1.458852122 Hartree
159	RY*(9)C7 s(46.05%)p0.39(17.86%)d0.78(36.09%)	0.000156573	2.150959906 Hartree
160	RY*(10)C7 s(3.21%)p10.38(33.29%)d19.80(63.50%)	0.000122682	1.147255754 Hartree
161	RY*(11)C7 s(10.84%)p2.95(31.96%)d5.28(57.21%)	0.000091913	1.515962295 Hartree
162	RY*(12)C7 s(0.76%)p52.47(40.09%)d77.42(59.15%)	0.000042101	1.186118882 Hartree
163	RY*(13)C7 s(11.60%)p1.66(19.23%)d5.96(69.16%)	0.000044116	3.065890260 Hartree
164	RY*(14)C7 s(2.90%)p18.56(53.92%)d14.86(43.18%)	0.000042086	2.809860483 Hartree
165	RY*(15)C7 s(12.93%)p5.23(67.60%)d1.50(19.46%)	0.000028912	3.475295964 Hartree
166	RY*(16)C7 s(5.85%)p7.98(46.67%)d8.12(47.48%)	0.000013033	2.542525863 Hartree
167	RY*(17)C7 s(11.25%)p2.06(23.20%)d5.82(65.55%)	0.000010917	2.986957686 Hartree
168	RY*(18)C7 s(0.08%)p68.58(5.17%)d99.99(94.76%)	0.000000232	3.304193891 Hartree
169	RY*(19)C7 s(83.60%)p0.16(13.20%)d0.04(3.21%)	0.000002430	18.338877759 Hartree
170	RY*(20)C7 s(0.05%)p99.99(93.28%)d99.99(6.68%)	0.000000194	2.890670439 Hartree
171	RY*(21)C7 s(4.04%)p17.70(71.45%)d6.07(24.51%)	0.000008168	1.883268107 Hartree
172	RY*(22)C7 s(0.75%)p2.25(1.68%)d99.99(97.57%)	0.000003192	3.545118300 Hartree
173	RY*(1)C8 s(0.06%)p99.99(92.46%)d99.99(7.48%)	0.006974849	1.293840656 Hartree
174	RY*(2)C8 s(0.59%)p99.99(94.43%)d8.47(4.98%)	0.002596021	1.118875007 Hartree
175	RY*(3)C8 s(5.44%)p13.81(75.17%)d3.56(19.39%)	0.001178654	0.812871027 Hartree
176	RY*(4)C8 s(59.34%)p0.21(12.30%)d0.48(28.37%)	0.000989381	1.470415137 Hartree
177	RY*(5)C8 s(5.11%)p8.40(42.89%)d10.18(52.00%)	0.000485609	2.229841196 Hartree
178	RY*(6)C8 s(0.18%)p48.23(8.76%)d99.99(91.06%)	0.000404519	2.905257109 Hartree
179	RY*(7)C8 s(15.83%)p0.43(6.86%)d4.88(77.30%)	0.000253037	1.786525076 Hartree
180	RY*(8)C8 s(3.22%)p15.80(50.91%)d14.23(45.87%)	0.000194165	1.611571788 Hartree
181	RY*(9)C8 s(70.34%)p0.23(16.22%)d0.19(13.44%)	0.000162542	1.659245996 Hartree
182	RY*(10)C8 s(3.13%)p5.47(17.13%)d25.46(79.74%)	0.000095385	1.688753238 Hartree
183	RY*(11)C8 s(6.61%)p4.57(30.25%)d9.54(63.13%)	0.000055663	2.885604714 Hartree
184	RY*(12)C8 s(5.45%)p11.65(63.55%)d5.68(31.00%)	0.000062696	1.344411706 Hartree
185	RY*(13)C8 s(2.94%)p13.78(40.50%)d19.25(56.57%)	0.000038852	3.091251809 Hartree
186	RY*(14)C8 s(2.37%)p14.14(33.58%)d26.97(64.04%)	0.000041947	1.670617319 Hartree
187	RY*(15)C8 s(3.50%)p9.77(34.16%)d17.84(62.35%)	0.000016547	1.860857184 Hartree
188	RY*(16)C8 s(7.58%)p6.69(50.73%)d5.50(41.70%)	0.000018984	2.925415792 Hartree
189	RY*(17)C8 s(13.00%)p4.38(56.99%)d2.31(30.01%)	0.000005065	2.960073862 Hartree
190	RY*(18)C8 s(0.28%)p13.74(3.83%)d99.99(95.89%)	0.000000258	3.356646422 Hartree
191	RY*(19)C8 s(87.75%)p0.12(10.54%)d0.02(1.70%)	0.000002248	19.060218459 Hartree
192	RY*(20)C8 s(5.15%)p13.94(71.72%)d4.50(23.14%)	0.000005386	1.260894120 Hartree
193	RY*(21)C8 s(0.45%)p99.99(83.31%)d36.18(16.24%)	0.000001449	2.694535419 Hartree
194	RY*(22)C8 s(1.81%)p2.12(3.85%)d52.03(94.34%)	0.000001198	3.393917732 Hartree
195	RY*(1)C9 s(2.56%)p34.98(89.70%)d3.02(7.74%)	0.006183430	1.372955030 Hartree
196	RY*(2)C9 s(1.77%)p52.15(92.28%)d3.36(5.95%)	0.004193262	1.138431031 Hartree
197	RY*(3)C9 s(2.41%)p31.16(75.18%)d9.29(22.41%)	0.002444211	0.786511008 Hartree
198	RY*(4)C9 s(31.56%)p0.38(12.12%)d1.78(56.32%)	0.000938499	2.270847887 Hartree
199	RY*(5)C9 s(19.95%)p0.99(19.84%)d3.02(60.21%)	0.000825398	2.186084528 Hartree
200	RY*(6)C9 s(5.78%)p4.90(28.30%)d11.41(65.92%)	0.000527431	1.750236490 Hartree
201	RY*(7)C9 s(23.28%)p0.62(14.53%)d2.67(62.19%)	0.000437093	1.960012766 Hartree
202	RY*(8)C9 s(0.75%)p22.43(16.75%)d99.99(82.50%)	0.000392684	2.556724636 Hartree
203	RY*(9)C9 s(21.67%)p2.12(46.04%)d1.49(32.29%)	0.000247921	1.317415928 Hartree
204	RY*(10)C9 s(3.61%)p6.53(23.57%)d20.18(72.82%)	0.000131138	2.130968964 Hartree
205	RY*(11)C9 s(25.38%)p1.55(39.35%)d1.39(35.27%)	0.000125200	2.027019306 Hartree
206	RY*(12)C9 s(23.41%)p0.88(20.67%)d2.39(55.92%)	0.000103824	3.306497517 Hartree
207	RY*(13)C9 s(9.51%)p3.62(34.43%)d5.89(56.05%)	0.000062224	3.869016823 Hartree
208	RY*(14)C9 s(1.48%)p35.73(52.80%)d30.95(45.73%)	0.000065364	2.019261061 Hartree
209	RY*(15)C9 s(0.45%)p99.99(59.16%)d89.73(40.39%)	0.000040312	1.855396943 Hartree
210	RY*(16)C9 s(4.82%)p10.16(48.98%)d9.59(46.21%)	0.000039763	2.656570987 Hartree
211	RY*(17)C9 s(13.58%)p4.30(58.38%)d2.06(28.04%)	0.000017904	3.047346907 Hartree
212	RY*(18)C9 s(1.70%)p13.44(22.90%)d44.25(75.40%)	0.000011393	2.295813888 Hartree
213	RY*(19)C9 s(0.18%)p99.99(87.61%)d67.52(12.21%)	0.000000472	2.926423684 Hartree
214	RY*(20)C9 s(12.73%)p4.05(51.56%)d2.81(35.71%)	0.000008623	1.112831503 Hartree
215	RY*(21)C9 s(91.74%)p0.03(2.36%)d0.06(5.90%)	0.000001970	18.732569913 Hartree
216	RY*(22)C9 s(1.74%)p2.10(3.65%)d54.34(94.61%)	0.000001523	3.436904588 Hartree
217	RY*(1)C10 s(0.13%)p99.99(90.55%)d70.32(9.32%)	0.005794131	1.339852727 Hartree
218	RY*(2)C10 s(0.88%)p99.99(97.20%)d2.19(1.93%)	0.002156946	1.392127988 Hartree
219	RY*(3)C10 s(1.76%)p44.14(77.64%)d11.71(20.60%)	0.001122320	0.568558159 Hartree
220	RY*(4)C10 s(57.12%)p0.10(5.44%)d0.66(37.44%)	0.001042659	1.705051863 Hartree
221	RY*(5)C10 s(4.81%)p5.84(28.06%)d13.97(67.13%)	0.000480900	2.111142192 Hartree
222	RY*(6)C10 s(8.12%)p2.97(24.13%)d8.35(67.75%)	0.000415316	2.144375927 Hartree
223	RY*(7)C10 s(12.34%)p1.48(18.25%)d5.63(69.41%)	0.000242490	1.762158918 Hartree
224	RY*(8)C10 s(6.96%)p3.31(23.02%)d10.07(70.02%)	0.000225065	1.677278078 Hartree
225	RY*(9)C10 s(56.49%)p0.65(36.64%)d0.12(6.87%)	0.000145188	1.847474931 Hartree
226	RY*(10)C10 s(3.40%)p13.93(47.37%)d14.47(49.22%)	0.000098348	1.602263160 Hartree
227	RY*(11)C10 s(2.66%)p23.73(63.01%)d12.93(34.34%)	0.000074640	1.070184274 Hartree
228	RY*(12)C10 s(12.58%)p1.22(15.38%)d5.73(72.04%)	0.000057241	2.225343645 Hartree
229	RY*(13)C10 s(17.78%)p1.90(33.75%)d2.73(48.46%)	0.000038249	2.361538288 Hartree
230	RY*(14)C10 s(5.22%)p5.14(26.82%)d13.01(67.96%)	0.000041752	2.440478530 Hartree
231	RY*(15)C10 s(1.43%)p29.23(41.85%)d39.62(56.72%)	0.000012985	1.872927058 Hartree
232	RY*(16)C10 s(5.28%)p4.97(26.29%)d12.95(68.43%)	0.000014767	3.082410431 Hartree
233	RY*(17)C10 s(8.44%)p10.65(89.89%)d0.20(1.67%)	0.000020718	4.020703506 Hartree
234	RY*(18)C10 s(2.53%)p22.02(55.73%)d16.50(41.74%)	0.000014860	1.089227015 Hartree
235	RY*(19)C10 s(1.78%)p45.89(81.84%)d9.18(16.38%)	0.000001454	2.731432853 Hartree
236	RY*(20)C10 s(88.68%)p0.10(9.28%)d0.02(2.04%)	0.000001955	19.390189275 Hartree
237	RY*(21)C10 s(0.06%)p92.21(5.27%)d99.99(94.67%)	0.000000910	3.270884903 Hartree
238	RY*(22)C10 s(1.68%)p1.63(2.74%)d56.92(95.58%)	0.000003192	3.408870134 Hartree
239	RY*(1)C11 s(0.18%)p99.99(90.20%)d52.16(9.61%)	0.006740845	1.297498943 Hartree
240	RY*(2)C11 s(0.17%)p99.99(97.39%)d14.62(2.44%)	0.002204866	1.145841710 Hartree
241	RY*(3)C11 s(0.29%)p99.99(77.23%)d77.41(22.48%)	0.001137599	0.502777005 Hartree
242	RY*(4)C11 s(45.37%)p0.17(7.54%)d1.04(47.09%)	0.001060098	1.877452395 Hartree
243	RY*(5)C11 s(22.45%)p2.08(46.64%)d1.38(30.91%)	0.000505390	1.496248577 Hartree
244	RY*(6)C11 s(0.46%)p11.51(5.24%)d99.99(94.30%)	0.000394177	2.847279817 Hartree
245	RY*(7)C11 s(12.57%)p3.97(49.87%)d2.99(37.56%)	0.000252391	2.243319367 Hartree
246	RY*(8)C11 s(29.06%)p1.23(35.86%)d1.21(35.09%)	0.000164796	2.079361678 Hartree
247	RY*(9)C11 s(3.10%)p14.37(44.51%)d16.91(52.39%)	0.000128195	1.141276958 Hartree
248	RY*(10)C11 s(28.03%)p1.41(39.52%)d1.16(32.45%)	0.000083853	1.554242975 Hartree
249	RY*(11)C11 s(30.19%)p0.69(20.71%)d1.63(49.09%)	0.000063691	1.758092522 Hartree
250	RY*(12)C11 s(6.06%)p1.99(12.03%)d13.52(81.91%)	0.000041878	3.054172424 Hartree
251	RY*(13)C11 s(0.85%)p78.93(67.45%)d37.08(31.69%)	0.000023323	2.500502710 Hartree
252	RY*(14)C11 s(12.39%)p4.29(53.18%)d2.78(34.43%)	0.000009543	2.735918836 Hartree
253	RY*(15)C11 s(14.84%)p3.89(57.76%)d1.85(27.41%)	0.000013907	3.050490793 Hartree
254	RY*(16)C11 s(0.07%)p99.99(55.95%)d99.99(43.98%)	0.000004725	1.001873342 Hartree
255	RY*(17)C11 s(0.08%)p99.99(15.94%)d99.99(83.98%)	0.000009611	1.461342289 Hartree
256	RY*(18)C11 s(0.15%)p16.69(2.43%)d99.99(97.43%)	0.000001687	2.983323349 Hartree
257	RY*(19)C11 s(86.97%)p0.11(9.97%)d0.04(3.06%)	0.000002027	18.871404342 Hartree
258	RY*(20)C11 s(5.01%)p2.60(13.04%)d16.35(81.95%)	0.000006122	3.082656314 Hartree
259	RY*(21)C11 s(0.18%)p99.99(94.97%)d27.48(4.86%)	0.000001950	2.844463585 Hartree
260	RY*(22)C11 s(1.69%)p1.61(2.72%)d56.60(95.59%)	0.000002313	3.456634636 Hartree
261	RY*(1)H12 s(99.90%)p0.00(0.10%)	0.000829026	1.305479056 Hartree
262	RY*(2)H12 s(0.42%)p99.99(99.58%)	0.000197729	1.943933146 Hartree
263	RY*(3)H12 s(83.34%)p0.20(16.66%)	0.000157204	2.139394692 Hartree
264	RY*(4)H12 s(0.13%)p99.99(99.87%)	0.000056382	2.605277453 Hartree
265	RY*(5)H12 s(16.26%)p5.15(83.74%)	0.000039094	2.586843280 Hartree
266	RY*(1)H13 s(99.17%)p0.01(0.83%)	0.000746769	1.292346165 Hartree
267	RY*(2)H13 s(2.85%)p34.07(97.15%)	0.000196793	1.950908761 Hartree
268	RY*(3)H13 s(88.94%)p0.12(11.06%)	0.000180879	1.981698522 Hartree
269	RY*(4)H13 s(7.96%)p11.57(92.04%)	0.000055167	2.671741349 Hartree
270	RY*(5)H13 s(1.13%)p87.81(98.87%)	0.000046895	2.656231809 Hartree
271	RY*(1)C14 s(5.47%)p16.17(88.45%)d1.11(6.08%)	0.007559048	0.825384541 Hartree
272	RY*(2)C14 s(3.53%)p13.15(46.44%)d14.16(50.03%)	0.002752045	1.116077186 Hartree
273	RY*(3)C14 s(4.92%)p16.51(81.17%)d2.83(13.91%)	0.002644004	1.145721192 Hartree
274	RY*(4)C14 s(1.77%)p15.70(27.81%)d39.75(70.42%)	0.001721789	1.646881203 Hartree
275	RY*(5)C14 s(3.34%)p16.03(53.51%)d12.93(43.15%)	0.001250232	1.234970209 Hartree
276	RY*(6)C14 s(0.54%)p63.94(34.62%)d99.99(64.84%)	0.000720473	2.088506869 Hartree
277	RY*(7)C14 s(7.44%)p4.25(31.65%)d8.19(60.91%)	0.000412687	1.694832684 Hartree
278	RY*(8)C14 s(64.19%)p0.38(24.63%)d0.17(11.19%)	0.000276366	1.657015228 Hartree
279	RY*(9)C14 s(3.03%)p14.81(44.87%)d17.20(52.10%)	0.000249326	1.604623223 Hartree
280	RY*(10)C14 s(6.55%)p5.10(33.41%)d9.16(60.04%)	0.000185195	2.872972603 Hartree
281	RY*(11)C14 s(41.15%)p0.68(28.06%)d0.75(30.79%)	0.000120804	2.155056745 Hartree
282	RY*(12)C14 s(2.89%)p5.42(15.66%)d28.18(81.45%)	0.000063050	2.157831297 Hartree
283	RY*(13)C14 s(24.19%)p1.16(28.08%)d1.97(47.73%)	0.000061075	1.283348243 Hartree
284	RY*(14)C14 s(3.17%)p9.29(29.49%)d21.22(67.34%)	0.000036208	2.685734959 Hartree
285	RY*(15)C14 s(3.98%)p10.12(40.24%)d14.03(55.79%)	0.000021715	2.379621659 Hartree
286	RY*(16)C14 s(3.73%)p2.25(8.41%)d23.54(87.85%)	0.000007418	2.253981068 Hartree
287	RY*(17)C14 s(18.64%)p2.97(55.40%)d1.39(25.96%)	0.000001109	1.197974359 Hartree
288	RY*(18)C14 s(0.74%)p99.99(93.13%)d8.31(6.14%)	0.000002769	3.029101297 Hartree
289	RY*(19)C14 s(1.44%)p25.45(36.66%)d42.98(61.90%)	0.000006607	2.435023595 Hartree
290	RY*(20)C14 s(3.29%)p27.98(92.10%)d1.40(4.61%)	0.000005433	1.961688805 Hartree
291	RY*(21)C14 s(94.89%)p0.01(0.97%)d0.04(4.14%)	0.000000288	22.005500444 Hartree
292	RY*(22)C14 s(1.12%)p5.08(5.71%)d82.93(93.17%)	0.000003905	3.424062339 Hartree
293	RY*(1)C15 s(8.37%)p10.49(87.82%)d0.45(3.80%)	0.002413295	0.687709028 Hartree
294	RY*(2)C15 s(12.31%)p6.43(79.17%)d0.69(8.52%)	0.001795089	0.870249877 Hartree
295	RY*(3)C15 s(28.64%)p1.03(29.49%)d1.46(41.87%)	0.000429442	1.163684178 Hartree
296	RY*(4)C15 s(13.33%)p4.84(64.58%)d1.66(22.09%)	0.000270216	0.851738207 Hartree
297	RY*(5)C15 s(3.33%)p20.71(68.94%)d8.33(27.73%)	0.000248466	1.128832317 Hartree
298	RY*(6)C15 s(3.40%)p7.44(25.31%)d20.96(71.29%)	0.000195226	0.983136690 Hartree
299	RY*(7)C15 s(7.69%)p7.30(56.14%)d4.71(36.18%)	0.000140539	1.950215948 Hartree
300	RY*(8)C15 s(4.09%)p5.79(23.69%)d17.65(72.22%)	0.000075781	2.201234095 Hartree
301	RY*(9)C15 s(13.49%)p1.93(26.06%)d4.48(60.46%)	0.000053623	2.308342832 Hartree
302	RY*(10)C15 s(22.81%)p1.38(31.42%)d2.01(45.77%)	0.000035458	1.236952100 Hartree
303	RY*(11)C15 s(31.72%)p1.89(59.91%)d0.26(8.38%)	0.000009874	0.826057029 Hartree
304	RY*(12)C15 s(2.10%)p40.80(85.65%)d5.84(12.26%)	0.000015043	0.791311395 Hartree
305	RY*(13)C15 s(10.61%)p2.83(30.01%)d5.59(59.38%)	0.000005766	1.537853724 Hartree
306	RY*(14)C15 s(1.02%)p6.98(7.11%)d90.23(91.87%)	0.000001357	3.206827611 Hartree
307	RY*(15)C15 s(15.21%)p2.61(39.75%)d2.96(45.04%)	0.000005917	1.153343260 Hartree
308	RY*(16)C15 s(5.84%)p1.58(9.22%)d14.54(84.94%)	0.000001696	2.915672311 Hartree
309	RY*(17)C15 s(98.24%)p0.01(0.82%)d0.01(0.94%)	0.000000240	22.942908936 Hartree
310	RY*(18)C15 s(1.57%)p3.97(6.22%)d58.80(92.21%)	0.000003025	1.915553884 Hartree
311	RY*(19)C15 s(3.46%)p22.71(78.64%)d5.17(17.90%)	0.000007996	2.789868596 Hartree
312	RY*(20)C15 s(4.79%)p1.12(5.38%)d18.73(89.83%)	0.000005463	2.912376274 Hartree
313	RY*(21)C15 s(7.94%)p10.56(83.81%)d1.04(8.25%)	0.000001543	2.876309727 Hartree
314	RY*(22)C15 s(0.07%)p19.03(1.24%)d99.99(98.69%)	0.000000271	3.531527428 Hartree
315	RY*(1)H16 s(96.19%)p0.04(3.81%)	0.000768301	0.959993412 Hartree
316	RY*(2)H16 s(65.66%)p0.52(34.34%)	0.000169562	1.947518386 Hartree
317	RY*(3)H16 s(6.73%)p13.87(93.27%)	0.000101830	2.040613366 Hartree
318	RY*(4)H16 s(27.60%)p2.62(72.40%)	0.000075753	2.095789392 Hartree
319	RY*(5)H16 s(3.85%)p25.00(96.15%)	0.000028377	2.675339676 Hartree
320	RY*(1)H17 s(97.34%)p0.03(2.66%)	0.000745078	0.840174674 Hartree
321	RY*(2)H17 s(55.50%)p0.80(44.50%)	0.000177194	2.021810106 Hartree
322	RY*(3)H17 s(4.89%)p19.46(95.11%)	0.000120462	2.077447494 Hartree
323	RY*(4)H17 s(40.16%)p1.49(59.84%)	0.000060399	2.040418159 Hartree
324	RY*(5)H17 s(2.14%)p45.82(97.86%)	0.000031936	2.807596931 Hartree
325	RY*(1)H18 s(99.25%)p0.01(0.75%)	0.001439720	0.828705541 Hartree
326	RY*(2)H18 s(32.09%)p2.12(67.91%)	0.000142204	2.034022028 Hartree
327	RY*(3)H18 s(6.58%)p14.19(93.42%)	0.000123409	2.092534033 Hartree
328	RY*(4)H18 s(45.18%)p1.21(54.82%)	0.000084008	2.377567183 Hartree
329	RY*(5)H18 s(16.92%)p4.91(83.08%)	0.000033602	2.408445395 Hartree
330	RY*(1)O19 s(0.04%)p99.99(94.69%)d99.99(5.27%)	0.002647032	0.725842731 Hartree
331	RY*(2)O19 s(2.20%)p36.77(81.05%)d7.60(16.75%)	0.001040259	0.991729815 Hartree
332	RY*(3)O19 s(26.37%)p2.66(70.02%)d0.14(3.61%)	0.000468040	0.793033999 Hartree
333	RY*(4)O19 s(24.96%)p1.33(33.30%)d1.67(41.74%)	0.000094674	1.805599196 Hartree
334	RY*(5)O19 s(27.76%)p1.76(48.86%)d0.84(23.39%)	0.000049684	1.654526346 Hartree
335	RY*(6)O19 s(5.25%)p9.13(47.93%)d8.92(46.82%)	0.000033416	2.032098931 Hartree
336	RY*(7)O19 s(28.16%)p1.38(38.83%)d1.17(33.01%)	0.000041239	1.436745558 Hartree
337	RY*(8)O19 s(35.69%)p1.12(40.06%)d0.68(24.25%)	0.000011538	1.621795878 Hartree
338	RY*(9)O19 s(12.74%)p5.09(64.87%)d1.76(22.39%)	0.000019287	1.571063438 Hartree
339	RY*(10)O19 s(13.65%)p0.89(12.21%)d5.43(74.14%)	0.000010511	1.959629437 Hartree
340	RY*(11)O19 s(0.63%)p99.99(97.77%)d2.54(1.60%)	0.000001104	5.021021014 Hartree
341	RY*(12)O19 s(3.23%)p29.25(94.50%)d0.70(2.27%)	0.000000622	5.057975975 Hartree
342	RY*(13)O19 s(12.86%)p2.52(32.37%)d4.26(54.77%)	0.000007960	1.808051994 Hartree
343	RY*(14)O19 s(0.33%)p4.42(1.47%)d99.99(98.20%)	0.000000716	6.925172423 Hartree
344	RY*(15)O19 s(3.21%)p1.64(5.26%)d28.47(91.52%)	0.000002810	2.156501872 Hartree
345	RY*(16)O19 s(0.55%)p1.80(0.98%)d99.99(98.47%)	0.000000892	6.846458842 Hartree
346	RY*(17)O19 s(1.72%)p17.08(29.36%)d40.11(68.92%)	0.000002605	2.125930416 Hartree
347	RY*(18)O19 s(0.26%)p4.94(1.29%)d99.99(98.45%)	0.000000131	6.973670506 Hartree
348	RY*(19)O19 s(99.87%)p0.00(0.08%)d0.00(0.05%)	0.000000021	49.670284363 Hartree
349	RY*(20)O19 s(0.40%)p5.96(2.38%)d99.99(97.22%)	0.000001964	6.830537860 Hartree
350	RY*(21)O19 s(0.05%)p99.99(95.21%)d99.99(4.74%)	0.000001756	4.884636112 Hartree
351	RY*(22)O19 s(0.10%)p76.43(7.80%)d99.99(92.10%)	0.000001298	6.389993388 Hartree
352	RY*(1)H20 s(4.84%)p19.66(95.16%)	0.001698193	1.677664424 Hartree
353	RY*(2)H20 s(43.04%)p1.32(56.96%)	0.001069919	1.712705334 Hartree
354	RY*(3)H20 s(71.65%)p0.40(28.35%)	0.000714005	1.092797043 Hartree
355	RY*(4)H20 s(75.79%)p0.32(24.21%)	0.000296920	2.135253686 Hartree
356	RY*(5)H20 s(4.80%)p19.83(95.20%)	0.000008777	2.643176956 Hartree
357	RY*(1)H21 s(99.43%)p0.01(0.57%)	0.002194106	0.457166685 Hartree
358	RY*(2)H21 s(55.09%)p0.82(44.91%)	0.000232329	2.289578916 Hartree
359	RY*(3)H21 s(6.13%)p15.31(93.87%)	0.000186212	2.244121803 Hartree
360	RY*(4)H21 s(31.49%)p2.18(68.51%)	0.000053152	2.506662521 Hartree
361	RY*(5)H21 s(7.90%)p11.66(92.10%)	0.000051472	2.741284496 Hartree
362	RY*(1)H22 s(99.40%)p0.01(0.60%)	0.000821246	1.407085402 Hartree
363	RY*(2)H22 s(41.93%)p1.38(58.07%)	0.000203168	1.981185805 Hartree
364	RY*(3)H22 s(46.17%)p1.17(53.83%)	0.000170579	1.993094610 Hartree
365	RY*(4)H22 s(1.38%)p71.54(98.62%)	0.000058429	2.611948815 Hartree
366	RY*(5)H22 s(11.16%)p7.96(88.84%)	0.000035634	2.610005341 Hartree
367	RY*(1)H23 s(99.04%)p0.01(0.96%)	0.000810492	1.294744601 Hartree
368	RY*(2)H23 s(0.20%)p99.99(99.80%)	0.000205892	1.952796598 Hartree
369	RY*(3)H23 s(88.09%)p0.14(11.91%)	0.000159971	2.046280695 Hartree
370	RY*(4)H23 s(10.98%)p8.11(89.02%)	0.000051860	2.643607734 Hartree
371	RY*(5)H23 s(1.73%)p56.71(98.27%)	0.000044386	2.636465349 Hartree
372	RY*(1)H24 s(98.42%)p0.02(1.58%)	0.001255001	0.792486854 Hartree
373	RY*(2)H24 s(56.74%)p0.76(43.26%)	0.000178185	2.082817397 Hartree
374	RY*(3)H24 s(3.00%)p32.34(97.00%)	0.000144266	2.188374681 Hartree
375	RY*(4)H24 s(35.67%)p1.80(64.33%)	0.000041950	2.490024958 Hartree
376	RY*(5)H24 s(6.21%)p15.11(93.79%)	0.000045122	2.577594143 Hartree
377	RY*(1)H25 s(98.45%)p0.02(1.55%)	0.001245008	0.788521848 Hartree
378	RY*(2)H25 s(53.33%)p0.88(46.67%)	0.000177390	2.084774535 Hartree
379	RY*(3)H25 s(4.64%)p20.54(95.36%)	0.000144534	2.177821274 Hartree
380	RY*(4)H25 s(29.88%)p2.35(70.12%)	0.000052672	2.206193803 Hartree
381	RY*(5)H25 s(13.73%)p6.28(86.27%)	0.000034967	2.863064617 Hartree

Natural Bond Orbitals

Display Range		- / 381
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	BD(1)C1-C2	370, 371	1.990521338	-0.610276304 Hartree
2	BD(1)C1-C6	372, 373	1.978355142	-0.618011130 Hartree
3	BD(1)C1-H24	374, 375	1.969406854	-0.487011264 Hartree
4	BD(1)C1-H25	376, 377	1.967542532	-0.486537542 Hartree
5	BD(1)C2-H3	378, 379	1.988117882	-0.497952438 Hartree
6	BD(1)C2-H4	380, 381	1.988851011	-0.499839730 Hartree
7	BD(1)C2-H5	382, 383	1.988936239	-0.499411097 Hartree
8	BD(1)C6-C7	384, 385	1.972550869	-0.689767116 Hartree
9	BD(1)C6-C11	386, 387	1.973016694	-0.688786577 Hartree
10	BD(2)C6-C11	388, 389	1.644165455	-0.245621246 Hartree
11	BD(1)C7-C8	390, 391	1.976998736	-0.692891326 Hartree
12	BD(2)C7-C8	392, 393	1.668346259	-0.247416453 Hartree
13	BD(1)C7-H23	394, 395	1.977881102	-0.510515850 Hartree
14	BD(1)C8-C9	396, 397	1.972309534	-0.687670755 Hartree
15	BD(1)C8-H22	398, 399	1.977765649	-0.506184296 Hartree
16	BD(1)C9-C10	400, 401	1.972937287	-0.692959032 Hartree
17	BD(2)C9-C10	402, 403	1.661203107	-0.249211448 Hartree
18	BD(1)C9-C14	404, 405	1.977281213	-0.621424865 Hartree
19	BD(1)C10-C11	406, 407	1.976859643	-0.694395614 Hartree
20	BD(1)C10-H13	408, 409	1.977704535	-0.514014084 Hartree
21	BD(1)C11-H12	410, 411	1.978338027	-0.510132232 Hartree
22	BD(1)C14-C15	412, 413	1.989672449	-0.616589566 Hartree
23	BD(1)C14-O19	414, 415	1.989199849	-0.803077350 Hartree
24	BD(1)C14-H21	416, 417	1.964369776	-0.489653216 Hartree
25	BD(1)C15-H16	418, 419	1.987383372	-0.497704527 Hartree
26	BD(1)C15-H17	420, 421	1.983704088	-0.503293293 Hartree
27	BD(1)C15-H18	422, 423	1.988125049	-0.503912877 Hartree
28	BD(1)O19-H20	424, 425	1.988669048	-0.711464534 Hartree
29	CR(1)C1	426	1.999231131	-10.035190201 Hartree
30	CR(1)C2	427	1.999376012	-10.023653979 Hartree
31	CR(1)C6	428	1.999020706	-10.034498904 Hartree
32	CR(1)C7	429	1.999042628	-10.020960311 Hartree
33	CR(1)C8	430	1.999051379	-10.021152407 Hartree
34	CR(1)C9	431	1.998976920	-10.030388082 Hartree
35	CR(1)C10	432	1.999046927	-10.024180002 Hartree
36	CR(1)C11	433	1.999047709	-10.021856323 Hartree
37	CR(1)C14	434	1.999089654	-10.099434523 Hartree
38	CR(1)C15	435	1.999328353	-10.020326955 Hartree
39	CR(1)O19	436	1.999798810	-18.914599921 Hartree
40	LP(1)O19	437	1.978485260	-0.611220358 Hartree
41	LP(2)O19	438	1.957951302	-0.297954259 Hartree
42	RY*(1)C1	439	0.003623836	0.891772470 Hartree
43	RY*(2)C1	440	0.001911327	0.881883058 Hartree
44	RY*(3)C1	441	0.000958212	1.348009575 Hartree
45	RY*(4)C1	442	0.000551186	1.325206777 Hartree
46	RY*(5)C1	443	0.000430550	1.231796916 Hartree
47	RY*(6)C1	444	0.000304497	2.035128047 Hartree
48	RY*(7)C1	445	0.000276135	1.442501801 Hartree
49	RY*(8)C1	446	0.000160923	2.321774274 Hartree
50	RY*(9)C1	447	0.000054634	1.494743422 Hartree
51	RY*(10)C1	448	0.000052044	2.182430779 Hartree
52	RY*(11)C1	449	0.000060188	0.987212644 Hartree
53	RY*(12)C1	450	0.000000541	3.234886719 Hartree
54	RY*(13)C1	451	0.000008138	1.669833795 Hartree
55	RY*(14)C1	452	0.000010011	3.236824389 Hartree
56	RY*(15)C1	453	0.000003709	1.854948054 Hartree
57	RY*(16)C1	454	0.000003482	2.009939375 Hartree
58	RY*(17)C1	455	0.000001793	2.676247264 Hartree
59	RY*(18)C1	456	0.000002782	3.456219921 Hartree
60	RY*(19)C1	457	0.000007886	1.377874846 Hartree
61	RY*(20)C1	458	0.000000897	22.723757007 Hartree
62	RY*(21)C1	459	0.000001425	0.280903475 Hartree
63	RY*(22)C1	460	0.000003678	3.536905940 Hartree
64	RY*(1)C2	461	0.002169633	0.833765525 Hartree
65	RY*(2)C2	462	0.000821450	0.962776991 Hartree
66	RY*(3)C2	463	0.000412369	1.657904970 Hartree
67	RY*(4)C2	464	0.000271483	1.008003239 Hartree
68	RY*(5)C2	465	0.000208528	0.892371464 Hartree
69	RY*(6)C2	466	0.000108701	1.281434784 Hartree
70	RY*(7)C2	467	0.000079219	1.515499637 Hartree
71	RY*(8)C2	468	0.000024563	1.638951145 Hartree
72	RY*(9)C2	469	0.000009985	1.356765631 Hartree
73	RY*(10)C2	470	0.000000232	23.135317316 Hartree
74	RY*(11)C2	471	0.000008258	2.060992276 Hartree
75	RY*(12)C2	472	0.000000190	3.198531482 Hartree
76	RY*(13)C2	473	0.000001805	1.365096842 Hartree
77	RY*(14)C2	474	0.000003468	2.874390114 Hartree
78	RY*(15)C2	475	0.000000097	3.153793531 Hartree
79	RY*(16)C2	476	0.000001757	1.364117202 Hartree
80	RY*(17)C2	477	0.000001160	1.293919070 Hartree
81	RY*(18)C2	478	0.000000105	2.476013177 Hartree
82	RY*(19)C2	479	0.000007969	1.985651938 Hartree
83	RY*(20)C2	480	0.000007950	2.236649230 Hartree
84	RY*(21)C2	481	0.000009687	0.952407653 Hartree
85	RY*(22)C2	482	0.000001995	3.250114819 Hartree
86	RY*(1)H3	483	0.000587261	0.834409824 Hartree
87	RY*(2)H3	484	0.000130527	2.061135428 Hartree
88	RY*(3)H3	485	0.000104188	1.945167990 Hartree
89	RY*(4)H3	486	0.000056865	2.140735910 Hartree
90	RY*(5)H3	487	0.000010953	2.683533475 Hartree
91	RY*(1)H4	488	0.000925912	0.721337895 Hartree
92	RY*(2)H4	489	0.000164183	2.040971293 Hartree
93	RY*(3)H4	490	0.000118310	2.048330772 Hartree
94	RY*(4)H4	491	0.000060357	2.158842834 Hartree
95	RY*(5)H4	492	0.000042144	2.768486594 Hartree
96	RY*(1)H5	493	0.000992304	0.711854702 Hartree
97	RY*(2)H5	494	0.000166214	2.052223679 Hartree
98	RY*(3)H5	495	0.000114954	2.045995519 Hartree
99	RY*(4)H5	496	0.000054398	2.523227990 Hartree
100	RY*(5)H5	497	0.000047639	2.408411795 Hartree
101	RY*(1)C6	498	0.006575610	1.332384332 Hartree
102	RY*(2)C6	499	0.004171963	1.149520817 Hartree
103	RY*(3)C6	500	0.001563209	2.108479061 Hartree
104	RY*(4)C6	501	0.001447847	1.038017846 Hartree
105	RY*(5)C6	502	0.000846750	2.046680343 Hartree
106	RY*(6)C6	503	0.000468899	1.469532307 Hartree
107	RY*(7)C6	504	0.000429648	3.044987818 Hartree
108	RY*(8)C6	505	0.000328999	1.780019388 Hartree
109	RY*(9)C6	506	0.000212895	1.628626537 Hartree
110	RY*(10)C6	507	0.000147134	2.227282442 Hartree
111	RY*(11)C6	508	0.000081336	3.172336312 Hartree
112	RY*(12)C6	509	0.000075242	2.707863388 Hartree
113	RY*(13)C6	510	0.000059577	2.474900570 Hartree
114	RY*(14)C6	511	0.000039025	2.671805072 Hartree
115	RY*(15)C6	512	0.000040199	3.720885807 Hartree
116	RY*(16)C6	513	0.000029452	1.572275392 Hartree
117	RY*(17)C6	514	0.000000321	2.736321590 Hartree
118	RY*(18)C6	515	0.000001032	18.428942185 Hartree
119	RY*(19)C6	516	0.000009753	2.705315349 Hartree
120	RY*(20)C6	517	0.000003258	0.774621956 Hartree
121	RY*(21)C6	518	0.000001182	2.317657298 Hartree
122	RY*(22)C6	519	0.000002128	3.449889296 Hartree
123	RY*(1)C7	520	0.005684081	1.337782043 Hartree
124	RY*(2)C7	521	0.002129730	1.446785501 Hartree
125	RY*(3)C7	522	0.001063321	0.445627322 Hartree
126	RY*(4)C7	523	0.000919844	1.802328224 Hartree
127	RY*(5)C7	524	0.000435796	1.788553141 Hartree
128	RY*(6)C7	525	0.000405591	2.620805904 Hartree
129	RY*(7)C7	526	0.000240718	1.430651561 Hartree
130	RY*(8)C7	527	0.000191990	1.458852122 Hartree
131	RY*(9)C7	528	0.000156573	2.150959906 Hartree
132	RY*(10)C7	529	0.000122682	1.147255754 Hartree
133	RY*(11)C7	530	0.000091913	1.515962295 Hartree
134	RY*(12)C7	531	0.000042101	1.186118882 Hartree
135	RY*(13)C7	532	0.000044116	3.065890260 Hartree
136	RY*(14)C7	533	0.000042086	2.809860483 Hartree
137	RY*(15)C7	534	0.000028912	3.475295964 Hartree
138	RY*(16)C7	535	0.000013033	2.542525863 Hartree
139	RY*(17)C7	536	0.000010917	2.986957686 Hartree
140	RY*(18)C7	537	0.000000232	3.304193891 Hartree
141	RY*(19)C7	538	0.000002430	18.338877759 Hartree
142	RY*(20)C7	539	0.000000194	2.890670439 Hartree
143	RY*(21)C7	540	0.000008168	1.883268107 Hartree
144	RY*(22)C7	541	0.000003192	3.545118300 Hartree
145	RY*(1)C8	542	0.006974849	1.293840656 Hartree
146	RY*(2)C8	543	0.002596021	1.118875007 Hartree
147	RY*(3)C8	544	0.001178654	0.812871027 Hartree
148	RY*(4)C8	545	0.000989381	1.470415137 Hartree
149	RY*(5)C8	546	0.000485609	2.229841196 Hartree
150	RY*(6)C8	547	0.000404519	2.905257109 Hartree
151	RY*(7)C8	548	0.000253037	1.786525076 Hartree
152	RY*(8)C8	549	0.000194165	1.611571788 Hartree
153	RY*(9)C8	550	0.000162542	1.659245996 Hartree
154	RY*(10)C8	551	0.000095385	1.688753238 Hartree
155	RY*(11)C8	552	0.000055663	2.885604714 Hartree
156	RY*(12)C8	553	0.000062696	1.344411706 Hartree
157	RY*(13)C8	554	0.000038852	3.091251809 Hartree
158	RY*(14)C8	555	0.000041947	1.670617319 Hartree
159	RY*(15)C8	556	0.000016547	1.860857184 Hartree
160	RY*(16)C8	557	0.000018984	2.925415792 Hartree
161	RY*(17)C8	558	0.000005065	2.960073862 Hartree
162	RY*(18)C8	559	0.000000258	3.356646422 Hartree
163	RY*(19)C8	560	0.000002248	19.060218459 Hartree
164	RY*(20)C8	561	0.000005386	1.260894120 Hartree
165	RY*(21)C8	562	0.000001449	2.694535419 Hartree
166	RY*(22)C8	563	0.000001198	3.393917732 Hartree
167	RY*(1)C9	564	0.006183430	1.372955030 Hartree
168	RY*(2)C9	565	0.004193262	1.138431031 Hartree
169	RY*(3)C9	566	0.002444211	0.786511008 Hartree
170	RY*(4)C9	567	0.000938499	2.270847887 Hartree
171	RY*(5)C9	568	0.000825398	2.186084528 Hartree
172	RY*(6)C9	569	0.000527431	1.750236490 Hartree
173	RY*(7)C9	570	0.000437093	1.960012766 Hartree
174	RY*(8)C9	571	0.000392684	2.556724636 Hartree
175	RY*(9)C9	572	0.000247921	1.317415928 Hartree
176	RY*(10)C9	573	0.000131138	2.130968964 Hartree
177	RY*(11)C9	574	0.000125200	2.027019306 Hartree
178	RY*(12)C9	575	0.000103824	3.306497517 Hartree
179	RY*(13)C9	576	0.000062224	3.869016823 Hartree
180	RY*(14)C9	577	0.000065364	2.019261061 Hartree
181	RY*(15)C9	578	0.000040312	1.855396943 Hartree
182	RY*(16)C9	579	0.000039763	2.656570987 Hartree
183	RY*(17)C9	580	0.000017904	3.047346907 Hartree
184	RY*(18)C9	581	0.000011393	2.295813888 Hartree
185	RY*(19)C9	582	0.000000472	2.926423684 Hartree
186	RY*(20)C9	583	0.000008623	1.112831503 Hartree
187	RY*(21)C9	584	0.000001970	18.732569913 Hartree
188	RY*(22)C9	585	0.000001523	3.436904588 Hartree
189	RY*(1)C10	586	0.005794131	1.339852727 Hartree
190	RY*(2)C10	587	0.002156946	1.392127988 Hartree
191	RY*(3)C10	588	0.001122320	0.568558159 Hartree
192	RY*(4)C10	589	0.001042659	1.705051863 Hartree
193	RY*(5)C10	590	0.000480900	2.111142192 Hartree
194	RY*(6)C10	591	0.000415316	2.144375927 Hartree
195	RY*(7)C10	592	0.000242490	1.762158918 Hartree
196	RY*(8)C10	593	0.000225065	1.677278078 Hartree
197	RY*(9)C10	594	0.000145189	1.847474931 Hartree
198	RY*(10)C10	595	0.000098348	1.602263160 Hartree
199	RY*(11)C10	596	0.000074640	1.070184274 Hartree
200	RY*(12)C10	597	0.000057241	2.225343645 Hartree
201	RY*(13)C10	598	0.000038249	2.361538288 Hartree
202	RY*(14)C10	599	0.000041752	2.440478530 Hartree
203	RY*(15)C10	600	0.000012985	1.872927058 Hartree
204	RY*(16)C10	601	0.000014767	3.082410431 Hartree
205	RY*(17)C10	602	0.000020718	4.020703506 Hartree
206	RY*(18)C10	603	0.000014860	1.089227015 Hartree
207	RY*(19)C10	604	0.000001454	2.731432853 Hartree
208	RY*(20)C10	605	0.000001955	19.390189275 Hartree
209	RY*(21)C10	606	0.000000910	3.270884903 Hartree
210	RY*(22)C10	607	0.000003192	3.408870134 Hartree
211	RY*(1)C11	608	0.006740845	1.297498943 Hartree
212	RY*(2)C11	609	0.002204866	1.145841710 Hartree
213	RY*(3)C11	610	0.001137599	0.502777005 Hartree
214	RY*(4)C11	611	0.001060098	1.877452395 Hartree
215	RY*(5)C11	612	0.000505390	1.496248577 Hartree
216	RY*(6)C11	613	0.000394177	2.847279817 Hartree
217	RY*(7)C11	614	0.000252391	2.243319367 Hartree
218	RY*(8)C11	615	0.000164796	2.079361678 Hartree
219	RY*(9)C11	616	0.000128195	1.141276958 Hartree
220	RY*(10)C11	617	0.000083853	1.554242975 Hartree
221	RY*(11)C11	618	0.000063691	1.758092522 Hartree
222	RY*(12)C11	619	0.000041878	3.054172424 Hartree
223	RY*(13)C11	620	0.000023323	2.500502710 Hartree
224	RY*(14)C11	621	0.000009543	2.735918836 Hartree
225	RY*(15)C11	622	0.000013907	3.050490793 Hartree
226	RY*(16)C11	623	0.000004725	1.001873342 Hartree
227	RY*(17)C11	624	0.000009611	1.461342289 Hartree
228	RY*(18)C11	625	0.000001687	2.983323349 Hartree
229	RY*(19)C11	626	0.000002027	18.871404342 Hartree
230	RY*(20)C11	627	0.000006122	3.082656314 Hartree
231	RY*(21)C11	628	0.000001950	2.844463585 Hartree
232	RY*(22)C11	629	0.000002313	3.456634636 Hartree
233	RY*(1)H12	630	0.000829026	1.305479056 Hartree
234	RY*(2)H12	631	0.000197729	1.943933146 Hartree
235	RY*(3)H12	632	0.000157204	2.139394692 Hartree
236	RY*(4)H12	633	0.000056382	2.605277453 Hartree
237	RY*(5)H12	634	0.000039094	2.586843280 Hartree
238	RY*(1)H13	635	0.000746769	1.292346165 Hartree
239	RY*(2)H13	636	0.000196793	1.950908761 Hartree
240	RY*(3)H13	637	0.000180879	1.981698522 Hartree
241	RY*(4)H13	638	0.000055167	2.671741349 Hartree
242	RY*(5)H13	639	0.000046895	2.656231809 Hartree
243	RY*(1)C14	640	0.007559048	0.825384541 Hartree
244	RY*(2)C14	641	0.002752045	1.116077186 Hartree
245	RY*(3)C14	642	0.002644004	1.145721192 Hartree
246	RY*(4)C14	643	0.001721789	1.646881203 Hartree
247	RY*(5)C14	644	0.001250232	1.234970209 Hartree
248	RY*(6)C14	645	0.000720473	2.088506869 Hartree
249	RY*(7)C14	646	0.000412687	1.694832684 Hartree
250	RY*(8)C14	647	0.000276366	1.657015228 Hartree
251	RY*(9)C14	648	0.000249326	1.604623223 Hartree
252	RY*(10)C14	649	0.000185195	2.872972603 Hartree
253	RY*(11)C14	650	0.000120804	2.155056745 Hartree
254	RY*(12)C14	651	0.000063050	2.157831297 Hartree
255	RY*(13)C14	652	0.000061075	1.283348243 Hartree
256	RY*(14)C14	653	0.000036208	2.685734959 Hartree
257	RY*(15)C14	654	0.000021715	2.379621659 Hartree
258	RY*(16)C14	655	0.000007418	2.253981068 Hartree
259	RY*(17)C14	656	0.000001109	1.197974359 Hartree
260	RY*(18)C14	657	0.000002769	3.029101297 Hartree
261	RY*(19)C14	658	0.000006607	2.435023595 Hartree
262	RY*(20)C14	659	0.000005433	1.961688805 Hartree
263	RY*(21)C14	660	0.000000288	22.005500444 Hartree
264	RY*(22)C14	661	0.000003905	3.424062339 Hartree
265	RY*(1)C15	662	0.002413295	0.687709028 Hartree
266	RY*(2)C15	663	0.001795089	0.870249877 Hartree
267	RY*(3)C15	664	0.000429442	1.163684178 Hartree
268	RY*(4)C15	665	0.000270216	0.851738207 Hartree
269	RY*(5)C15	666	0.000248466	1.128832317 Hartree
270	RY*(6)C15	667	0.000195226	0.983136690 Hartree
271	RY*(7)C15	668	0.000140539	1.950215948 Hartree
272	RY*(8)C15	669	0.000075781	2.201234095 Hartree
273	RY*(9)C15	670	0.000053623	2.308342832 Hartree
274	RY*(10)C15	671	0.000035458	1.236952100 Hartree
275	RY*(11)C15	672	0.000009874	0.826057029 Hartree
276	RY*(12)C15	673	0.000015043	0.791311395 Hartree
277	RY*(13)C15	674	0.000005766	1.537853724 Hartree
278	RY*(14)C15	675	0.000001357	3.206827611 Hartree
279	RY*(15)C15	676	0.000005917	1.153343260 Hartree
280	RY*(16)C15	677	0.000001696	2.915672311 Hartree
281	RY*(17)C15	678	0.000000240	22.942908936 Hartree
282	RY*(18)C15	679	0.000003025	1.915553884 Hartree
283	RY*(19)C15	680	0.000007996	2.789868596 Hartree
284	RY*(20)C15	681	0.000005463	2.912376274 Hartree
285	RY*(21)C15	682	0.000001543	2.876309727 Hartree
286	RY*(22)C15	683	0.000000271	3.531527428 Hartree
287	RY*(1)H16	684	0.000768301	0.959993412 Hartree
288	RY*(2)H16	685	0.000169562	1.947518386 Hartree
289	RY*(3)H16	686	0.000101830	2.040613366 Hartree
290	RY*(4)H16	687	0.000075753	2.095789392 Hartree
291	RY*(5)H16	688	0.000028377	2.675339676 Hartree
292	RY*(1)H17	689	0.000745078	0.840174674 Hartree
293	RY*(2)H17	690	0.000177194	2.021810106 Hartree
294	RY*(3)H17	691	0.000120462	2.077447494 Hartree
295	RY*(4)H17	692	0.000060399	2.040418159 Hartree
296	RY*(5)H17	693	0.000031936	2.807596931 Hartree
297	RY*(1)H18	694	0.001439720	0.828705541 Hartree
298	RY*(2)H18	695	0.000142204	2.034022028 Hartree
299	RY*(3)H18	696	0.000123409	2.092534033 Hartree
300	RY*(4)H18	697	0.000084008	2.377567183 Hartree
301	RY*(5)H18	698	0.000033602	2.408445395 Hartree
302	RY*(1)O19	699	0.002647032	0.725842731 Hartree
303	RY*(2)O19	700	0.001040259	0.991729815 Hartree
304	RY*(3)O19	701	0.000468040	0.793033999 Hartree
305	RY*(4)O19	702	0.000094674	1.805599196 Hartree
306	RY*(5)O19	703	0.000049684	1.654526346 Hartree
307	RY*(6)O19	704	0.000033416	2.032098931 Hartree
308	RY*(7)O19	705	0.000041239	1.436745558 Hartree
309	RY*(8)O19	706	0.000011538	1.621795878 Hartree
310	RY*(9)O19	707	0.000019287	1.571063438 Hartree
311	RY*(10)O19	708	0.000010511	1.959629437 Hartree
312	RY*(11)O19	709	0.000001104	5.021021014 Hartree
313	RY*(12)O19	710	0.000000622	5.057975975 Hartree
314	RY*(13)O19	711	0.000007960	1.808051994 Hartree
315	RY*(14)O19	712	0.000000716	6.925172423 Hartree
316	RY*(15)O19	713	0.000002810	2.156501872 Hartree
317	RY*(16)O19	714	0.000000892	6.846458842 Hartree
318	RY*(17)O19	715	0.000002605	2.125930416 Hartree
319	RY*(18)O19	716	0.000000131	6.973670506 Hartree
320	RY*(19)O19	717	0.000000021	49.670284363 Hartree
321	RY*(20)O19	718	0.000001964	6.830537860 Hartree
322	RY*(21)O19	719	0.000001756	4.884636112 Hartree
323	RY*(22)O19	720	0.000001298	6.389993388 Hartree
324	RY*(1)H20	721	0.001698193	1.677664424 Hartree
325	RY*(2)H20	722	0.001069919	1.712705334 Hartree
326	RY*(3)H20	723	0.000714005	1.092797043 Hartree
327	RY*(4)H20	724	0.000296920	2.135253686 Hartree
328	RY*(5)H20	725	0.000008777	2.643176956 Hartree
329	RY*(1)H21	726	0.002194106	0.457166685 Hartree
330	RY*(2)H21	727	0.000232329	2.289578916 Hartree
331	RY*(3)H21	728	0.000186212	2.244121803 Hartree
332	RY*(4)H21	729	0.000053152	2.506662521 Hartree
333	RY*(5)H21	730	0.000051472	2.741284496 Hartree
334	RY*(1)H22	731	0.000821246	1.407085402 Hartree
335	RY*(2)H22	732	0.000203168	1.981185805 Hartree
336	RY*(3)H22	733	0.000170579	1.993094610 Hartree
337	RY*(4)H22	734	0.000058429	2.611948815 Hartree
338	RY*(5)H22	735	0.000035634	2.610005341 Hartree
339	RY*(1)H23	736	0.000810492	1.294744601 Hartree
340	RY*(2)H23	737	0.000205892	1.952796598 Hartree
341	RY*(3)H23	738	0.000159971	2.046280695 Hartree
342	RY*(4)H23	739	0.000051860	2.643607734 Hartree
343	RY*(5)H23	740	0.000044386	2.636465349 Hartree
344	RY*(1)H24	741	0.001255001	0.792486854 Hartree
345	RY*(2)H24	742	0.000178185	2.082817397 Hartree
346	RY*(3)H24	743	0.000144266	2.188374681 Hartree
347	RY*(4)H24	744	0.000041950	2.490024958 Hartree
348	RY*(5)H24	745	0.000045122	2.577594143 Hartree
349	RY*(1)H25	746	0.001245008	0.788521848 Hartree
350	RY*(2)H25	747	0.000177390	2.084774535 Hartree
351	RY*(3)H25	748	0.000144534	2.177821274 Hartree
352	RY*(4)H25	749	0.000052672	2.206193803 Hartree
353	RY*(5)H25	750	0.000034967	2.863064617 Hartree
354	BD*(1)C1-C2		0.005433180	0.384864871 Hartree
355	BD*(1)C1-C6		0.024354333	0.419703846 Hartree
356	BD*(1)C1-H24		0.016045707	0.389483247 Hartree
357	BD*(1)C1-H25		0.016794057	0.388855483 Hartree
358	BD*(1)C2-H3		0.005281764	0.403265744 Hartree
359	BD*(1)C2-H4		0.009036569	0.397956837 Hartree
360	BD*(1)C2-H5		0.009048349	0.398101816 Hartree
361	BD*(1)C6-C7		0.025166962	0.578879426 Hartree
362	BD*(1)C6-C11		0.022598270	0.577254034 Hartree
363	BD*(2)C6-C11		0.344975312	0.039295624 Hartree
364	BD*(1)C7-C8		0.014540787	0.584239036 Hartree
365	BD*(2)C7-C8		0.324084236	0.036069665 Hartree
366	BD*(1)C7-H23		0.015204173	0.441416681 Hartree
367	BD*(1)C8-C9		0.022936185	0.576080107 Hartree
368	BD*(1)C8-H22		0.014391589	0.441647672 Hartree
369	BD*(1)C9-C10		0.024601037	0.575814050 Hartree
370	BD*(2)C9-C10		0.361488075	0.037101678 Hartree
371	BD*(1)C9-C14		0.037394231	0.411454836 Hartree
372	BD*(1)C10-C11		0.014738597	0.581446172 Hartree
373	BD*(1)C10-H13		0.014915851	0.439422416 Hartree
374	BD*(1)C11-H12		0.015087801	0.429492448 Hartree
375	BD*(1)C14-C15		0.021872951	0.380928395 Hartree
376	BD*(1)C14-O19		0.034303375	0.276464541 Hartree
377	BD*(1)C14-H21		0.030744876	0.379257392 Hartree
378	BD*(1)C15-H16		0.005539557	0.410505671 Hartree
379	BD*(1)C15-H17		0.006762561	0.398428466 Hartree
380	BD*(1)C15-H18		0.009414022	0.392637882 Hartree
381	BD*(1)O19-H20		0.008767078	0.431720364 Hartree

Quote

"TIGER, TIGER BURNING BRIGHT IN THE FOREST OF THE NIGHT. WHAT IMMORTAL HAND OR EYE CAN FRAME THY FEARFUL SYMMETRYE?" - WILLIAM BLAKE

WebMO Job Summary

402540: C10H14O, Natural Bond Orbitals - Gaussian

Calculated Quantities

Overview

Rotational Constants

Partial Charges

Molecular Orbitals

Natural Population Analysis

Natural Atomic Orbitals

Natural Hybrid Orbitals

Natural Bond Orbitals

Quote