WebMO Job Summary

Overview

Quantity	Value
Route	#N B3LYP/6-311+G(2d,p) SP GFINPUT POP=(FULL,NBO6Read) Geom=Connectivit
Stoichiometry	C₇H₈O
Symmetry	C1
Basis	6-311+G(2d,p)
RB3LYP Energy	-346.877092467 Hartree
Dipole Moment	1.3347 Debye
Server	batch (202831)
CPU time	498 sec

Rotational Constants

Constant	Frequency (GHz)	Frequency (cm^-1)
a	5.0698631	0.16911242977
b	1.5655821	0.05222219766
c	1.2053718	0.04020687538

Partial Charges

Atom	Symbol	Charge
1	C	-0.143385
2	O	-0.445121
3	C	0.304062
4	C	-0.160957
5	C	-0.056562
6	C	-0.090338
7	C	-0.311252
8	C	0.088940
9	H	0.084502
10	H	0.081193
11	H	0.079850
12	H	0.082900
13	H	0.089536
14	H	0.135433
15	H	0.130599
16	H	0.130601

Molecular Orbitals

Display Range		- / 264
Orbital	Symmetry	Occupancy	Energy	Actions
1	-	2	-19.15782 Hartree
2	-	2	-10.23519 Hartree
3	-	2	-10.22713 Hartree
4	-	2	-10.17656 Hartree
5	-	2	-10.17526 Hartree
6	-	2	-10.17362 Hartree
7	-	2	-10.16960 Hartree
8	-	2	-10.16746 Hartree
9	-	2	-1.07186 Hartree
10	-	2	-0.85723 Hartree
11	-	2	-0.76246 Hartree
12	-	2	-0.75129 Hartree
13	-	2	-0.70071 Hartree
14	-	2	-0.61499 Hartree
15	-	2	-0.59587 Hartree
16	-	2	-0.54283 Hartree
17	-	2	-0.49074 Hartree
18	-	2	-0.48513 Hartree
19	-	2	-0.47531 Hartree
20	-	2	-0.45116 Hartree
21	-	2	-0.42927 Hartree
22	-	2	-0.41940 Hartree
23	-	2	-0.38468 Hartree
24	-	2	-0.37263 Hartree
25	-	2	-0.36375 Hartree
26	-	2	-0.33408 Hartree
27	-	2	-0.32785 Hartree
28	-	2	-0.25925 Hartree
29	-	2	-0.22839 Hartree
30	-	0	-0.01618 Hartree
31	-	0	-0.00166 Hartree
32	-	0	0.00060 Hartree
33	-	0	0.01419 Hartree
34	-	0	0.02236 Hartree
35	-	0	0.03508 Hartree
36	-	0	0.03911 Hartree
37	-	0	0.04434 Hartree
38	-	0	0.05015 Hartree
39	-	0	0.06968 Hartree
40	-	0	0.07254 Hartree
41	-	0	0.07415 Hartree
42	-	0	0.08772 Hartree
43	-	0	0.09154 Hartree
44	-	0	0.10937 Hartree
45	-	0	0.11597 Hartree
46	-	0	0.12678 Hartree
47	-	0	0.13006 Hartree
48	-	0	0.13364 Hartree
49	-	0	0.14307 Hartree
50	-	0	0.14814 Hartree
51	-	0	0.15202 Hartree
52	-	0	0.15214 Hartree
53	-	0	0.15748 Hartree
54	-	0	0.17604 Hartree
55	-	0	0.17889 Hartree
56	-	0	0.18326 Hartree
57	-	0	0.19731 Hartree
58	-	0	0.20322 Hartree
59	-	0	0.20544 Hartree
60	-	0	0.20998 Hartree
61	-	0	0.21386 Hartree
62	-	0	0.22061 Hartree
63	-	0	0.22603 Hartree
64	-	0	0.23238 Hartree
65	-	0	0.24135 Hartree
66	-	0	0.24304 Hartree
67	-	0	0.25435 Hartree
68	-	0	0.25978 Hartree
69	-	0	0.27016 Hartree
70	-	0	0.27447 Hartree
71	-	0	0.28331 Hartree
72	-	0	0.31146 Hartree
73	-	0	0.32107 Hartree
74	-	0	0.33163 Hartree
75	-	0	0.34876 Hartree
76	-	0	0.35538 Hartree
77	-	0	0.36876 Hartree
78	-	0	0.38288 Hartree
79	-	0	0.41801 Hartree
80	-	0	0.43703 Hartree
81	-	0	0.46933 Hartree
82	-	0	0.48693 Hartree
83	-	0	0.49816 Hartree
84	-	0	0.51588 Hartree
85	-	0	0.51780 Hartree
86	-	0	0.52244 Hartree
87	-	0	0.53092 Hartree
88	-	0	0.53131 Hartree
89	-	0	0.53550 Hartree
90	-	0	0.55298 Hartree
91	-	0	0.57323 Hartree
92	-	0	0.57711 Hartree
93	-	0	0.58687 Hartree
94	-	0	0.59630 Hartree
95	-	0	0.61071 Hartree
96	-	0	0.61850 Hartree
97	-	0	0.63275 Hartree
98	-	0	0.63925 Hartree
99	-	0	0.64657 Hartree
100	-	0	0.64814 Hartree
101	-	0	0.67528 Hartree
102	-	0	0.68068 Hartree
103	-	0	0.69503 Hartree
104	-	0	0.70676 Hartree
105	-	0	0.72463 Hartree
106	-	0	0.72718 Hartree
107	-	0	0.74284 Hartree
108	-	0	0.76965 Hartree
109	-	0	0.77021 Hartree
110	-	0	0.78636 Hartree
111	-	0	0.79053 Hartree
112	-	0	0.80197 Hartree
113	-	0	0.81761 Hartree
114	-	0	0.82934 Hartree
115	-	0	0.83881 Hartree
116	-	0	0.84720 Hartree
117	-	0	0.85098 Hartree
118	-	0	0.86459 Hartree
119	-	0	0.87186 Hartree
120	-	0	0.89155 Hartree
121	-	0	0.91118 Hartree
122	-	0	0.97234 Hartree
123	-	0	0.99901 Hartree
124	-	0	1.00320 Hartree
125	-	0	1.04713 Hartree
126	-	0	1.05295 Hartree
127	-	0	1.10188 Hartree
128	-	0	1.12675 Hartree
129	-	0	1.14797 Hartree
130	-	0	1.15431 Hartree
131	-	0	1.17305 Hartree
132	-	0	1.19200 Hartree
133	-	0	1.22467 Hartree
134	-	0	1.23793 Hartree
135	-	0	1.24381 Hartree
136	-	0	1.28997 Hartree
137	-	0	1.30401 Hartree
138	-	0	1.30868 Hartree
139	-	0	1.32412 Hartree
140	-	0	1.34464 Hartree
141	-	0	1.35145 Hartree
142	-	0	1.36347 Hartree
143	-	0	1.38628 Hartree
144	-	0	1.40683 Hartree
145	-	0	1.43387 Hartree
146	-	0	1.48552 Hartree
147	-	0	1.50992 Hartree
148	-	0	1.51524 Hartree
149	-	0	1.53574 Hartree
150	-	0	1.56602 Hartree
151	-	0	1.57283 Hartree
152	-	0	1.58777 Hartree
153	-	0	1.62831 Hartree
154	-	0	1.64694 Hartree
155	-	0	1.66543 Hartree
156	-	0	1.67248 Hartree
157	-	0	1.77839 Hartree
158	-	0	1.79504 Hartree
159	-	0	1.80306 Hartree
160	-	0	1.83227 Hartree
161	-	0	1.89533 Hartree
162	-	0	1.91197 Hartree
163	-	0	1.93074 Hartree
164	-	0	1.99826 Hartree
165	-	0	2.05318 Hartree
166	-	0	2.05874 Hartree
167	-	0	2.16012 Hartree
168	-	0	2.16013 Hartree
169	-	0	2.22815 Hartree
170	-	0	2.24501 Hartree
171	-	0	2.24726 Hartree
172	-	0	2.30195 Hartree
173	-	0	2.32100 Hartree
174	-	0	2.34728 Hartree
175	-	0	2.37674 Hartree
176	-	0	2.39075 Hartree
177	-	0	2.40983 Hartree
178	-	0	2.50297 Hartree
179	-	0	2.62385 Hartree
180	-	0	2.63468 Hartree
181	-	0	2.63756 Hartree
182	-	0	2.64112 Hartree
183	-	0	2.66202 Hartree
184	-	0	2.67230 Hartree
185	-	0	2.74427 Hartree
186	-	0	2.75208 Hartree
187	-	0	2.75729 Hartree
188	-	0	2.77895 Hartree
189	-	0	2.79870 Hartree
190	-	0	2.84205 Hartree
191	-	0	2.84565 Hartree
192	-	0	2.85390 Hartree
193	-	0	2.87600 Hartree
194	-	0	2.89803 Hartree
195	-	0	2.98080 Hartree
196	-	0	2.98710 Hartree
197	-	0	3.05465 Hartree
198	-	0	3.05941 Hartree
199	-	0	3.10749 Hartree
200	-	0	3.12001 Hartree
201	-	0	3.13202 Hartree
202	-	0	3.17559 Hartree
203	-	0	3.17952 Hartree
204	-	0	3.22270 Hartree
205	-	0	3.25377 Hartree
206	-	0	3.26560 Hartree
207	-	0	3.27832 Hartree
208	-	0	3.29303 Hartree
209	-	0	3.30667 Hartree
210	-	0	3.32084 Hartree
211	-	0	3.34798 Hartree
212	-	0	3.35042 Hartree
213	-	0	3.38271 Hartree
214	-	0	3.39748 Hartree
215	-	0	3.40186 Hartree
216	-	0	3.44085 Hartree
217	-	0	3.47450 Hartree
218	-	0	3.48812 Hartree
219	-	0	3.56050 Hartree
220	-	0	3.57659 Hartree
221	-	0	3.58911 Hartree
222	-	0	3.59589 Hartree
223	-	0	3.60127 Hartree
224	-	0	3.60311 Hartree
225	-	0	3.62732 Hartree
226	-	0	3.66254 Hartree
227	-	0	3.74069 Hartree
228	-	0	3.74903 Hartree
229	-	0	3.75853 Hartree
230	-	0	3.76984 Hartree
231	-	0	3.82502 Hartree
232	-	0	3.85390 Hartree
233	-	0	3.88509 Hartree
234	-	0	3.91523 Hartree
235	-	0	3.93730 Hartree
236	-	0	3.94850 Hartree
237	-	0	3.95800 Hartree
238	-	0	3.97952 Hartree
239	-	0	4.04453 Hartree
240	-	0	4.12865 Hartree
241	-	0	4.16635 Hartree
242	-	0	4.25203 Hartree
243	-	0	4.44625 Hartree
244	-	0	4.54627 Hartree
245	-	0	4.63027 Hartree
246	-	0	4.81036 Hartree
247	-	0	4.84227 Hartree
248	-	0	5.03293 Hartree
249	-	0	5.26957 Hartree
250	-	0	5.49977 Hartree
251	-	0	5.89784 Hartree
252	-	0	6.98284 Hartree
253	-	0	7.03679 Hartree
254	-	0	7.07894 Hartree
255	-	0	7.44366 Hartree
256	-	0	7.51244 Hartree
257	-	0	23.67074 Hartree
258	-	0	23.98738 Hartree
259	-	0	24.00418 Hartree
260	-	0	24.00959 Hartree
261	-	0	24.10880 Hartree
262	-	0	24.11444 Hartree
263	-	0	24.14348 Hartree
264	-	0	50.04770 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom	Symbol	Charge
1	C	-0.20521
2	O	-0.55026
3	C	0.32624
4	C	-0.24434
5	C	-0.18688
6	C	-0.23755
7	C	-0.18378
8	C	-0.29458
9	H	0.21108
10	H	0.20396
11	H	0.20601
12	H	0.20555
13	H	0.21718
14	H	0.19143
15	H	0.17057
16	H	0.17057

Natural Atomic Orbitals

Display Range		- / 264
Orbital	Description	Occupancy	Energy	Actions
1	C1 Cor(1s)	1.999985089	-10.227003149 Hartree
2	C1 Val(2s)	1.085272833	-0.204373499 Hartree
3	C1 Ryd(3s)	0.001711071	0.998754548 Hartree
4	C1 Ryd(4s)	0.000084638	13.260697497 Hartree
5	C1 Ryd(5s)	0.000007795	7.567748081 Hartree
6	C1 Val(2p)	0.949845264	-0.094772341 Hartree
7	C1 Ryd(3p)	0.001965747	0.968957326 Hartree
8	C1 Ryd(4p)	0.000225149	2.808593529 Hartree
9	C1 Ryd(5p)	0.000081256	2.302263681 Hartree
10	C1 Val(2p)	0.974111281	-0.089629683 Hartree
11	C1 Ryd(3p)	0.003212102	0.778651682 Hartree
12	C1 Ryd(4p)	0.000106055	1.180197720 Hartree
13	C1 Ryd(5p)	0.000058919	2.111607896 Hartree
14	C1 Val(2p)	1.181520232	-0.115486645 Hartree
15	C1 Ryd(3p)	0.000270826	0.719476302 Hartree
16	C1 Ryd(4p)	0.000067321	1.113848806 Hartree
17	C1 Ryd(5p)	0.000022740	2.027467712 Hartree
18	C1 Ryd(3d)	0.001673502	2.285939925 Hartree
19	C1 Ryd(4d)	0.000059689	3.026238999 Hartree
20	C1 Ryd(3d)	0.000740038	1.660973000 Hartree
21	C1 Ryd(4d)	0.000061274	2.603024213 Hartree
22	C1 Ryd(3d)	0.001773480	2.096424791 Hartree
23	C1 Ryd(4d)	0.000017651	2.814903831 Hartree
24	C1 Ryd(3d)	0.001133925	1.860225384 Hartree
25	C1 Ryd(4d)	0.000086766	2.861658494 Hartree
26	C1 Ryd(3d)	0.001075351	2.105878921 Hartree
27	C1 Ryd(4d)	0.000042301	2.960502922 Hartree
28	O2 Cor(1s)	1.999993484	-19.157729504 Hartree
29	O2 Val(2s)	1.593233857	-0.709766165 Hartree
30	O2 Ryd(3s)	0.002206536	1.812055560 Hartree
31	O2 Ryd(4s)	0.000078816	1.717242210 Hartree
32	O2 Ryd(5s)	0.000000222	49.000688412 Hartree
33	O2 Val(2p)	1.385140883	-0.291116113 Hartree
34	O2 Ryd(3p)	0.001851556	1.183567186 Hartree
35	O2 Ryd(4p)	0.000611285	1.009038500 Hartree
36	O2 Ryd(5p)	0.000005708	5.086288361 Hartree
37	O2 Val(2p)	1.703678509	-0.322095844 Hartree
38	O2 Ryd(3p)	0.003884101	0.813414089 Hartree
39	O2 Ryd(4p)	0.000379368	1.021512530 Hartree
40	O2 Ryd(5p)	0.000017729	5.151178817 Hartree
41	O2 Val(2p)	1.844510016	-0.314930884 Hartree
42	O2 Ryd(3p)	0.003836188	0.515351980 Hartree
43	O2 Ryd(4p)	0.000156791	0.885503594 Hartree
44	O2 Ryd(5p)	0.000002552	4.964230817 Hartree
45	O2 Ryd(3d)	0.003471771	2.334491928 Hartree
46	O2 Ryd(4d)	0.000044047	7.242218720 Hartree
47	O2 Ryd(3d)	0.000412166	1.829828285 Hartree
48	O2 Ryd(4d)	0.000042473	6.967414551 Hartree
49	O2 Ryd(3d)	0.002024679	1.753688428 Hartree
50	O2 Ryd(4d)	0.000016309	6.917349419 Hartree
51	O2 Ryd(3d)	0.002428687	2.129861294 Hartree
52	O2 Ryd(4d)	0.000058500	7.193649676 Hartree
53	O2 Ryd(3d)	0.002172067	1.944214393 Hartree
54	O2 Ryd(4d)	0.000004988	6.979392875 Hartree
55	C3 Cor(1s)	1.999985052	-10.235066893 Hartree
56	C3 Val(2s)	0.831356774	-0.063594880 Hartree
57	C3 Ryd(3s)	0.001014113	1.533859413 Hartree
58	C3 Ryd(4s)	0.000243120	1.559889798 Hartree
59	C3 Ryd(5s)	0.000013300	17.460208909 Hartree
60	C3 Val(2p)	0.775519431	0.004761888 Hartree
61	C3 Ryd(3p)	0.006798441	1.251170872 Hartree
62	C3 Ryd(4p)	0.000278656	1.158702025 Hartree
63	C3 Ryd(5p)	0.000135685	3.477933917 Hartree
64	C3 Val(2p)	1.068484554	-0.017876879 Hartree
65	C3 Ryd(3p)	0.005274941	1.276618754 Hartree
66	C3 Ryd(4p)	0.000443792	0.537893393 Hartree
67	C3 Ryd(5p)	0.000189331	3.125657799 Hartree
68	C3 Val(2p)	0.976766851	-0.115982353 Hartree
69	C3 Ryd(3p)	0.000792887	0.591760805 Hartree
70	C3 Ryd(4p)	0.000319036	0.302552618 Hartree
71	C3 Ryd(5p)	0.000019734	2.759582076 Hartree
72	C3 Ryd(3d)	0.001085445	2.910927087 Hartree
73	C3 Ryd(4d)	0.000347659	3.635309410 Hartree
74	C3 Ryd(3d)	0.001365413	2.243882542 Hartree
75	C3 Ryd(4d)	0.000084969	2.412749621 Hartree
76	C3 Ryd(3d)	0.000542369	2.177486857 Hartree
77	C3 Ryd(4d)	0.000036058	2.435687408 Hartree
78	C3 Ryd(3d)	0.001066524	2.856495662 Hartree
79	C3 Ryd(4d)	0.000456457	3.555859690 Hartree
80	C3 Ryd(3d)	0.000783374	2.744012315 Hartree
81	C3 Ryd(4d)	0.000352420	3.082034597 Hartree
82	C4 Cor(1s)	1.999985599	-10.169508620 Hartree
83	C4 Val(2s)	0.954404565	-0.084062533 Hartree
84	C4 Ryd(3s)	0.001303838	1.493749155 Hartree
85	C4 Ryd(4s)	0.000057398	4.081583099 Hartree
86	C4 Ryd(5s)	0.000005300	17.664713940 Hartree
87	C4 Val(2p)	1.076416191	-0.015055436 Hartree
88	C4 Ryd(3p)	0.004670672	0.987052464 Hartree
89	C4 Ryd(4p)	0.000345553	1.022513575 Hartree
90	C4 Ryd(5p)	0.000100841	3.212255982 Hartree
91	C4 Val(2p)	1.159032133	-0.043383723 Hartree
92	C4 Ryd(3p)	0.005506311	1.311133760 Hartree
93	C4 Ryd(4p)	0.000229674	0.581455026 Hartree
94	C4 Ryd(5p)	0.000056556	3.564617604 Hartree
95	C4 Val(2p)	1.035493686	-0.107421443 Hartree
96	C4 Ryd(3p)	0.001394186	0.522910277 Hartree
97	C4 Ryd(4p)	0.000442336	0.399929117 Hartree
98	C4 Ryd(5p)	0.000012478	2.684362064 Hartree
99	C4 Ryd(3d)	0.001065378	2.464897087 Hartree
100	C4 Ryd(4d)	0.000328375	3.779224970 Hartree
101	C4 Ryd(3d)	0.000263136	1.451530385 Hartree
102	C4 Ryd(4d)	0.000093499	3.047260514 Hartree
103	C4 Ryd(3d)	0.000598098	1.416169063 Hartree
104	C4 Ryd(4d)	0.000038397	2.997626880 Hartree
105	C4 Ryd(3d)	0.000594574	2.411345644 Hartree
106	C4 Ryd(4d)	0.000382750	3.751801662 Hartree
107	C4 Ryd(3d)	0.001437980	2.041083610 Hartree
108	C4 Ryd(4d)	0.000083688	3.414121302 Hartree
109	C5 Cor(1s)	1.999986240	-10.175132424 Hartree
110	C5 Val(2s)	0.954529372	-0.085840229 Hartree
111	C5 Ryd(3s)	0.000981107	1.261272362 Hartree
112	C5 Ryd(4s)	0.000008499	0.903354712 Hartree
113	C5 Ryd(5s)	0.000004454	20.320601874 Hartree
114	C5 Val(2p)	1.104642624	-0.019665648 Hartree
115	C5 Ryd(3p)	0.004776052	1.045962928 Hartree
116	C5 Ryd(4p)	0.000252771	0.469992798 Hartree
117	C5 Ryd(5p)	0.000085316	3.435265311 Hartree
118	C5 Val(2p)	1.121953288	-0.024853777 Hartree
119	C5 Ryd(3p)	0.005021543	1.124383306 Hartree
120	C5 Ryd(4p)	0.000204297	0.470803479 Hartree
121	C5 Ryd(5p)	0.000070385	3.516985678 Hartree
122	C5 Val(2p)	0.988262157	-0.105765364 Hartree
123	C5 Ryd(3p)	0.001081509	0.526289540 Hartree
124	C5 Ryd(4p)	0.000495031	0.342117094 Hartree
125	C5 Ryd(5p)	0.000003882	2.718143161 Hartree
126	C5 Ryd(3d)	0.000609994	2.543762468 Hartree
127	C5 Ryd(4d)	0.000518657	3.649801059 Hartree
128	C5 Ryd(3d)	0.000472753	1.614973220 Hartree
129	C5 Ryd(4d)	0.000049463	2.856866445 Hartree
130	C5 Ryd(3d)	0.000317860	1.605896318 Hartree
131	C5 Ryd(4d)	0.000055316	2.844884733 Hartree
132	C5 Ryd(3d)	0.000971970	2.420401729 Hartree
133	C5 Ryd(4d)	0.000191067	3.610913652 Hartree
134	C5 Ryd(3d)	0.001234437	2.105667261 Hartree
135	C5 Ryd(4d)	0.000097145	3.261925549 Hartree
136	C6 Cor(1s)	1.999986163	-10.167380912 Hartree
137	C6 Val(2s)	0.952376756	-0.080911625 Hartree
138	C6 Ryd(3s)	0.001083278	1.432833555 Hartree
139	C6 Ryd(4s)	0.000014813	7.816989914 Hartree
140	C6 Ryd(5s)	0.000004433	13.902498737 Hartree
141	C6 Val(2p)	1.167497530	-0.036552169 Hartree
142	C6 Ryd(3p)	0.005916667	1.260967433 Hartree
143	C6 Ryd(4p)	0.000303593	0.544975737 Hartree
144	C6 Ryd(5p)	0.000041240	3.548468762 Hartree
145	C6 Val(2p)	1.063054083	-0.009186930 Hartree
146	C6 Ryd(3p)	0.004079186	0.772258538 Hartree
147	C6 Ryd(4p)	0.000333324	0.982467080 Hartree
148	C6 Ryd(5p)	0.000104916	3.195005354 Hartree
149	C6 Val(2p)	1.035986265	-0.104351047 Hartree
150	C6 Ryd(3p)	0.001922177	0.495434496 Hartree
151	C6 Ryd(4p)	0.000508835	0.440470190 Hartree
152	C6 Ryd(5p)	0.000003029	2.646592744 Hartree
153	C6 Ryd(3d)	0.000918436	2.438236312 Hartree
154	C6 Ryd(4d)	0.000230072	3.588867432 Hartree
155	C6 Ryd(3d)	0.000374762	1.612191546 Hartree
156	C6 Ryd(4d)	0.000051209	2.792601914 Hartree
157	C6 Ryd(3d)	0.000262252	1.652436935 Hartree
158	C6 Ryd(4d)	0.000057223	2.854665443 Hartree
159	C6 Ryd(3d)	0.000656849	2.502810549 Hartree
160	C6 Ryd(4d)	0.000436210	3.600307728 Hartree
161	C6 Ryd(3d)	0.001238638	2.098210973 Hartree
162	C6 Ryd(4d)	0.000106731	3.231124679 Hartree
163	C7 Cor(1s)	1.999986152	-10.176418073 Hartree
164	C7 Val(2s)	0.952390491	-0.086529159 Hartree
165	C7 Ryd(3s)	0.001176165	1.240195873 Hartree
166	C7 Ryd(4s)	0.000021690	4.352677696 Hartree
167	C7 Ryd(5s)	0.000003381	16.534982588 Hartree
168	C7 Val(2p)	1.061713281	-0.008708149 Hartree
169	C7 Ryd(3p)	0.003768846	0.831914117 Hartree
170	C7 Ryd(4p)	0.000208838	0.923672156 Hartree
171	C7 Ryd(5p)	0.000084313	3.140724410 Hartree
172	C7 Val(2p)	1.162772131	-0.037591766 Hartree
173	C7 Ryd(3p)	0.006398525	1.265191973 Hartree
174	C7 Ryd(4p)	0.000146195	0.658901811 Hartree
175	C7 Ryd(5p)	0.000043144	3.475067692 Hartree
176	C7 Val(2p)	0.989132647	-0.106727913 Hartree
177	C7 Ryd(3p)	0.001087376	0.516337173 Hartree
178	C7 Ryd(4p)	0.000402605	0.492330779 Hartree
179	C7 Ryd(5p)	0.000002539	2.594934005 Hartree
180	C7 Ryd(3d)	0.000818106	2.470494497 Hartree
181	C7 Ryd(4d)	0.000279836	3.596804379 Hartree
182	C7 Ryd(3d)	0.000363658	1.655577330 Hartree
183	C7 Ryd(4d)	0.000068604	2.854640527 Hartree
184	C7 Ryd(3d)	0.000339876	1.616000763 Hartree
185	C7 Ryd(4d)	0.000051726	2.780390467 Hartree
186	C7 Ryd(3d)	0.000741141	2.528270921 Hartree
187	C7 Ryd(4d)	0.000421301	3.638911373 Hartree
188	C7 Ryd(3d)	0.001238510	2.130215880 Hartree
189	C7 Ryd(4d)	0.000114638	3.244875733 Hartree
190	C8 Cor(1s)	1.999985213	-10.173541616 Hartree
191	C8 Val(2s)	0.952637511	-0.088565695 Hartree
192	C8 Ryd(3s)	0.001175530	0.867441869 Hartree
193	C8 Ryd(4s)	0.000137313	2.058593846 Hartree
194	C8 Ryd(5s)	0.000005443	20.503250434 Hartree
195	C8 Val(2p)	1.125653066	-0.035944755 Hartree
196	C8 Ryd(3p)	0.003040949	1.109479154 Hartree
197	C8 Ryd(4p)	0.000438832	1.052742089 Hartree
198	C8 Ryd(5p)	0.000074564	3.340738595 Hartree
199	C8 Val(2p)	1.123729439	-0.034047755 Hartree
200	C8 Ryd(3p)	0.004239911	1.140385031 Hartree
201	C8 Ryd(4p)	0.000277371	0.910868310 Hartree
202	C8 Ryd(5p)	0.000068839	3.337285674 Hartree
203	C8 Val(2p)	1.075913271	-0.115629524 Hartree
204	C8 Ryd(3p)	0.001952276	0.488415813 Hartree
205	C8 Ryd(4p)	0.000500851	0.471008834 Hartree
206	C8 Ryd(5p)	0.000002985	2.659823023 Hartree
207	C8 Ryd(3d)	0.000732345	2.426044534 Hartree
208	C8 Ryd(4d)	0.000494693	3.732276485 Hartree
209	C8 Ryd(3d)	0.000303059	1.483703247 Hartree
210	C8 Ryd(4d)	0.000072200	2.983934775 Hartree
211	C8 Ryd(3d)	0.000527577	1.497064733 Hartree
212	C8 Ryd(4d)	0.000027003	2.980888936 Hartree
213	C8 Ryd(3d)	0.000991002	2.517863430 Hartree
214	C8 Ryd(4d)	0.000151329	3.748079170 Hartree
215	C8 Ryd(3d)	0.001380932	2.074756564 Hartree
216	C8 Ryd(4d)	0.000066577	3.416295376 Hartree
217	H9 Val(1s)	0.786853537	0.059819351 Hartree
218	H9 Ryd(2s)	0.001008555	0.684361737 Hartree
219	H9 Ryd(3s)	0.000156096	2.355070895 Hartree
220	H9 Ryd(2p)	0.000287406	2.397493514 Hartree
221	H9 Ryd(2p)	0.000412658	2.461362951 Hartree
222	H9 Ryd(2p)	0.000200343	1.817927139 Hartree
223	H10 Val(1s)	0.793886835	0.062061732 Hartree
224	H10 Ryd(2s)	0.001186125	0.701535463 Hartree
225	H10 Ryd(3s)	0.000105385	2.327497822 Hartree
226	H10 Ryd(2p)	0.000101699	2.236477663 Hartree
227	H10 Ryd(2p)	0.000624294	2.570314940 Hartree
228	H10 Ryd(2p)	0.000138568	1.803794827 Hartree
229	H11 Val(1s)	0.792135023	0.067097802 Hartree
230	H11 Ryd(2s)	0.000910815	0.738592216 Hartree
231	H11 Ryd(3s)	0.000098395	2.288990627 Hartree
232	H11 Ryd(2p)	0.000627261	2.601215916 Hartree
233	H11 Ryd(2p)	0.000070248	2.226445891 Hartree
234	H11 Ryd(2p)	0.000145846	1.813801360 Hartree
235	H12 Val(1s)	0.792530359	0.064617479 Hartree
236	H12 Ryd(2s)	0.000965357	0.751761206 Hartree
237	H12 Ryd(3s)	0.000104499	2.312458034 Hartree
238	H12 Ryd(2p)	0.000324267	2.386882392 Hartree
239	H12 Ryd(2p)	0.000396608	2.433944431 Hartree
240	H12 Ryd(2p)	0.000132447	1.807079513 Hartree
241	H13 Val(1s)	0.780383126	0.066473161 Hartree
242	H13 Ryd(2s)	0.001385829	0.674791691 Hartree
243	H13 Ryd(3s)	0.000188902	2.368025988 Hartree
244	H13 Ryd(2p)	0.000125651	2.261317438 Hartree
245	H13 Ryd(2p)	0.000598825	2.577328349 Hartree
246	H13 Ryd(2p)	0.000135067	1.821868751 Hartree
247	H14 Val(1s)	0.807536602	0.029189833 Hartree
248	H14 Ryd(2s)	0.000341352	0.517336875 Hartree
249	H14 Ryd(3s)	0.000020922	2.293855226 Hartree
250	H14 Ryd(2p)	0.000442383	2.551734804 Hartree
251	H14 Ryd(2p)	0.000162348	2.060272013 Hartree
252	H14 Ryd(2p)	0.000063570	1.835890933 Hartree
253	H15 Val(1s)	0.827279469	0.014664953 Hartree
254	H15 Ryd(2s)	0.001433747	0.456350745 Hartree
255	H15 Ryd(3s)	0.000056141	2.353813621 Hartree
256	H15 Ryd(2p)	0.000071680	1.948287444 Hartree
257	H15 Ryd(2p)	0.000195486	2.168055173 Hartree
258	H15 Ryd(2p)	0.000392248	2.383818072 Hartree
259	H16 Val(1s)	0.827277790	0.014664220 Hartree
260	H16 Ryd(2s)	0.001433871	0.456346750 Hartree
261	H16 Ryd(3s)	0.000056147	2.353800618 Hartree
262	H16 Ryd(2p)	0.000071689	1.948286799 Hartree
263	H16 Ryd(2p)	0.000195534	2.168144633 Hartree
264	H16 Ryd(2p)	0.000392178	2.383742014 Hartree

Natural Hybrid Orbitals

Display Range		- / 264
Orbital	Description	Occupancy	Energy	Actions
1	CR(1)C1 s(100.00%)	1.999985089	-10.227003149 Hartree
2	CR(1)O2 s(100.00%)	1.999993484	-19.157729504 Hartree
3	CR(1)C3 s(100.00%)	1.999985052	-10.235066893 Hartree
4	CR(1)C4 s(100.00%)	1.999985599	-10.169508620 Hartree
5	CR(1)C5 s(100.00%)	1.999986240	-10.175132424 Hartree
6	CR(1)C6 s(100.00%)	1.999986163	-10.167380912 Hartree
7	CR(1)C7 s(100.00%)	1.999986152	-10.176418073 Hartree
8	CR(1)C8 s(100.00%)	1.999985213	-10.173541616 Hartree
9	LP(1)O2 s(38.33%)p1.61(61.56%)d0.00(0.10%)	1.963774775	-0.485053607 Hartree
10	LP(2)O2 s(0.00%)p1.00(99.88%)d0.00(0.12%)	1.846949615	-0.316572641 Hartree
11	BD(1)C1(O2) 1s(21.36%)p3.67(78.43%)d0.01(0.21%)	0.633719857	-0.041965718 Hartree
12	BD(1)O2(C1) 2s(28.20%)p2.54(71.59%)d0.01(0.21%)	1.367440569	-0.412723742 Hartree
13	BD(1)C1(H14) 1s(25.62%)p2.90(74.29%)d0.00(0.10%)	1.192807757	-0.141958544 Hartree
14	BD(1)H14(C1) 14s(99.94%)p0.00(0.06%)	0.808077279	0.030186570 Hartree
15	BD(1)C1(H15) 1s(26.56%)p2.76(73.33%)d0.00(0.10%)	1.186447219	-0.149882406 Hartree
16	BD(1)H15(C1) 15s(99.94%)p0.00(0.06%)	0.827746011	0.016881060 Hartree
17	BD(1)C1(H16) 1s(26.56%)p2.76(73.33%)d0.00(0.10%)	1.186449372	-0.149883692 Hartree
18	BD(1)H16(C1) 16s(99.94%)p0.00(0.06%)	0.827744320	0.016880439 Hartree
19	BD(1)O2(C3) 2s(33.49%)p1.98(66.30%)d0.01(0.21%)	1.362304843	-0.423829613 Hartree
20	BD(1)C3(O2) 3s(24.97%)p3.00(74.89%)d0.01(0.14%)	0.659488055	-0.004839962 Hartree
21	BD(1)C3(C4) 3s(36.60%)p1.73(63.33%)d0.00(0.07%)	1.011730328	-0.027162185 Hartree
22	BD(1)C4(C3) 4s(34.69%)p1.88(65.18%)d0.00(0.14%)	0.983690057	-0.009334067 Hartree
23	BD(1)C3(C8) 3s(38.15%)p1.62(61.79%)d0.00(0.07%)	1.009113051	-0.028717830 Hartree
24	BD(1)C8(C3) 8s(34.81%)p1.87(65.06%)d0.00(0.13%)	0.997858959	-0.015069539 Hartree
25	BD(2)C3(C8) 3s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.977219443	-0.116487875 Hartree
26	BD(2)C8(C3) 8s(0.00%)p1.00(99.95%)d0.00(0.05%)	1.077150212	-0.117032505 Hartree
27	BD(1)C4(C5) 4s(36.89%)p1.71(63.01%)d0.00(0.11%)	1.002566891	-0.004041589 Hartree
28	BD(1)C5(C4) 5s(36.00%)p1.77(63.88%)d0.00(0.12%)	0.987084039	0.000846927 Hartree
29	BD(2)C4(C5) 4s(0.00%)p1.00(99.96%)d0.00(0.04%)	1.036738097	-0.108721352 Hartree
30	BD(2)C5(C4) 5s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.989249282	-0.107084459 Hartree
31	BD(1)C4(H13) 4s(28.31%)p2.53(71.65%)d0.00(0.04%)	1.210287542	-0.110020434 Hartree
32	BD(1)H13(C4) 13s(99.93%)p0.00(0.07%)	0.780924808	0.068266267 Hartree
33	BD(1)C5(C6) 5s(36.13%)p1.76(63.76%)d0.00(0.11%)	0.999595684	-0.005675712 Hartree
34	BD(1)C6(C5) 6s(35.65%)p1.80(64.23%)d0.00(0.12%)	0.994660479	-0.003584669 Hartree
35	BD(1)C5(H12) 5s(27.75%)p2.60(72.20%)d0.00(0.04%)	1.201279283	-0.107269024 Hartree
36	BD(1)H12(C5) 12s(99.93%)p0.00(0.07%)	0.793082937	0.066244889 Hartree
37	BD(1)C6(C7) 6s(35.98%)p1.78(63.91%)d0.00(0.12%)	0.993488789	0.000456019 Hartree
38	BD(1)C7(C6) 7s(36.50%)p1.74(63.39%)d0.00(0.11%)	1.000812245	-0.003488274 Hartree
39	BD(2)C6(C7) 6s(0.00%)p1.00(99.97%)d0.00(0.03%)	1.037272243	-0.105942622 Hartree
40	BD(2)C7(C6) 7s(0.00%)p1.00(99.97%)d0.00(0.03%)	0.989919728	-0.107784963 Hartree
41	BD(1)C6(H11) 6s(28.26%)p2.54(71.70%)d0.00(0.04%)	1.202050893	-0.104220903 Hartree
42	BD(1)H11(C6) 11s(99.94%)p0.00(0.06%)	0.792661787	0.068605475 Hartree
43	BD(1)C7(C8) 7s(35.79%)p1.79(64.09%)d0.00(0.12%)	0.982871511	-0.002925434 Hartree
44	BD(1)C8(C7) 8s(36.65%)p1.73(63.25%)d0.00(0.11%)	1.006303413	-0.010686944 Hartree
45	BD(1)C7(H10) 7s(27.60%)p2.62(72.35%)d0.00(0.05%)	1.200109068	-0.108542873 Hartree
46	BD(1)H10(C7) 10s(99.93%)p0.00(0.07%)	0.794439216	0.063715001 Hartree
47	BD(1)C8(H9) 8s(28.42%)p2.52(71.53%)d0.00(0.05%)	1.203989201	-0.113689196 Hartree
48	BD(1)H9(C8) 9s(99.94%)p0.00(0.06%)	0.787368953	0.061762788 Hartree
49	RY(1)C1 s(22.93%)p2.22(50.92%)d1.14(26.15%)	0.002380266	1.510227870 Hartree
50	RY(2)C1 s(0.22%)p99.99(95.00%)d21.39(4.78%)	0.001430242	0.963124615 Hartree
51	RY(3)C1 s(0.00%)p1.00(8.26%)d11.11(91.74%)	0.001305786	1.548723403 Hartree
52	RY(4)C1 s(0.00%)p1.00(87.44%)d0.14(12.56%)	0.000246455	0.716195005 Hartree
53	RY(5)C1 s(5.56%)p8.92(49.61%)d8.06(44.82%)	0.000244009	2.775269107 Hartree
54	RY(6)C1 s(10.19%)p1.82(18.58%)d6.99(71.23%)	0.000132037	1.903364224 Hartree
55	RY(7)C1 s(0.00%)p1.00(11.88%)d7.42(88.12%)	0.000022239	1.886444500 Hartree
56	RY(8)C1 s(7.96%)p5.19(41.34%)d6.37(50.70%)	0.000016436	2.485341042 Hartree
57	RY(9)C1 s(35.40%)p1.45(51.34%)d0.37(13.26%)	0.000011332	3.737806992 Hartree
58	RY(10)C1 s(30.57%)p1.94(59.40%)d0.33(10.03%)	0.000007102	5.318447603 Hartree
59	RY(11)C1 s(7.41%)p4.11(30.49%)d8.38(62.10%)	0.000001850	3.308735348 Hartree
60	RY(12)C1 s(28.05%)p1.81(50.74%)d0.76(21.21%)	0.000002248	0.746248659 Hartree
61	RY(13)C1 s(25.17%)p1.46(36.83%)d1.51(38.00%)	0.000001091	3.196902071 Hartree
62	RY(14)C1 s(0.00%)p1.00(12.92%)d6.74(87.08%)	0.000000000	2.914498492 Hartree
63	RY(15)C1 s(0.00%)p1.00(91.99%)d0.09(8.01%)	0.000000000	1.341817739 Hartree
64	RY(16)C1 s(14.11%)p1.39(19.64%)d4.70(66.25%)	0.000000006	2.730104026 Hartree
65	RY(17)C1 s(0.00%)p1.00(40.92%)d1.44(59.08%)	0.000000000	2.417348276 Hartree
66	RY(18)C1 s(26.59%)p0.86(22.86%)d1.90(50.55%)	0.000000075	7.284194672 Hartree
67	RY(19)C1 s(0.00%)p1.00(46.72%)d1.14(53.28%)	0.000000909	2.207988066 Hartree
68	RY(20)C1 s(64.99%)p0.19(12.24%)d0.35(22.77%)	0.000000263	5.306137789 Hartree
69	RY(21)C1 s(16.31%)p2.85(46.54%)d2.28(37.15%)	0.000000634	2.467967687 Hartree
70	RY(22)C1 s(4.42%)p3.38(14.97%)d18.22(80.60%)	0.000000022	3.326576268 Hartree
71	RY(1)O2 s(13.70%)p6.11(83.72%)d0.19(2.58%)	0.004252302	0.727570025 Hartree
72	RY(2)O2 s(0.00%)p1.00(98.44%)d0.02(1.56%)	0.003832373	0.615334509 Hartree
73	RY(3)O2 s(6.89%)p10.79(74.38%)d2.72(18.73%)	0.000782018	1.372137277 Hartree
74	RY(4)O2 s(4.68%)p19.53(91.33%)d0.85(3.99%)	0.000313519	0.958507876 Hartree
75	RY(5)O2 s(4.74%)p13.89(65.88%)d6.19(29.38%)	0.000253039	1.915599919 Hartree
76	RY(6)O2 s(0.00%)p1.00(4.93%)d19.30(95.07%)	0.000147842	3.184437803 Hartree
77	RY(7)O2 s(9.30%)p1.81(16.79%)d7.95(73.91%)	0.000064055	2.862810572 Hartree
78	RY(8)O2 s(0.00%)p1.00(45.67%)d1.19(54.33%)	0.000057784	2.135394022 Hartree
79	RY(9)O2 s(70.59%)p0.33(23.44%)d0.08(5.97%)	0.000041723	1.767147776 Hartree
80	RY(10)O2 s(9.76%)p0.75(7.36%)d8.50(82.89%)	0.000024199	2.697755781 Hartree
81	RY(11)O2 s(0.00%)p1.00(44.96%)d1.22(55.04%)	0.000013562	1.321855065 Hartree
82	RY(12)O2 s(42.47%)p0.17(7.30%)d1.18(50.24%)	0.000007580	1.848389968 Hartree
83	RY(13)O2 s(25.83%)p1.21(31.27%)d1.66(42.89%)	0.000006422	1.803953531 Hartree
84	RY(14)O2 s(2.58%)p14.24(36.71%)d23.55(60.71%)	0.000001675	6.797665394 Hartree
85	RY(15)O2 s(6.46%)p12.03(77.69%)d2.45(15.85%)	0.000001465	5.016813037 Hartree
86	RY(16)O2 s(94.65%)p0.01(0.76%)d0.05(4.59%)	0.000000005	47.196948416 Hartree
87	RY(17)O2 s(0.00%)p1.00(5.28%)d17.94(94.72%)	0.000000000	4.894508653 Hartree
88	RY(18)O2 s(4.34%)p16.64(72.19%)d5.41(23.47%)	0.000000304	5.241184829 Hartree
89	RY(19)O2 s(0.00%)p1.00(1.02%)d96.68(98.98%)	0.000000000	6.727173958 Hartree
90	RY(20)O2 s(0.00%)p1.00(99.81%)d0.00(0.19%)	0.000000000	4.956305166 Hartree
91	RY(21)O2 s(0.69%)p14.59(10.08%)d99.99(89.23%)	0.000000100	6.433120663 Hartree
92	RY(22)O2 s(3.31%)p0.49(1.63%)d28.76(95.06%)	0.000000034	7.977837983 Hartree
93	RY(1)C3 s(0.33%)p99.99(95.15%)d13.56(4.52%)	0.006437432	1.378462268 Hartree
94	RY(2)C3 s(0.14%)p99.99(92.12%)d55.25(7.74%)	0.003850856	1.574999863 Hartree
95	RY(3)C3 s(46.17%)p0.23(10.49%)d0.94(43.34%)	0.001889884	1.770167292 Hartree
96	RY(4)C3 s(0.00%)p1.00(13.04%)d6.67(86.96%)	0.001603972	1.752070889 Hartree
97	RY(5)C3 s(0.00%)p1.00(9.79%)d9.21(90.21%)	0.000635139	2.024874227 Hartree
98	RY(6)C3 s(29.95%)p0.53(15.99%)d1.80(54.05%)	0.000494339	2.497209830 Hartree
99	RY(7)C3 s(0.00%)p1.00(76.75%)d0.30(23.25%)	0.000382201	1.156275927 Hartree
100	RY(8)C3 s(4.49%)p7.34(32.91%)d13.96(62.61%)	0.000336640	3.620158374 Hartree
101	RY(9)C3 s(29.30%)p0.74(21.69%)d1.67(49.01%)	0.000214278	3.020265290 Hartree
102	RY(10)C3 s(4.97%)p10.67(53.05%)d8.44(41.97%)	0.000153116	2.411875666 Hartree
103	RY(11)C3 s(0.00%)p1.00(61.61%)d0.62(38.39%)	0.000086562	1.241863507 Hartree
104	RY(12)C3 s(25.44%)p1.82(46.28%)d1.11(28.28%)	0.000080520	2.831395786 Hartree
105	RY(13)C3 s(13.66%)p2.48(33.93%)d3.84(52.42%)	0.000023354	2.558392946 Hartree
106	RY(14)C3 s(0.23%)p99.99(34.42%)d99.99(65.35%)	0.000020212	2.756793724 Hartree
107	RY(15)C3 s(21.22%)p1.81(38.48%)d1.90(40.30%)	0.000007501	1.907738286 Hartree
108	RY(16)C3 s(15.03%)p3.26(49.05%)d2.39(35.92%)	0.000002048	2.616198556 Hartree
109	RY(17)C3 s(64.57%)p0.31(19.90%)d0.24(15.53%)	0.000000893	11.453999887 Hartree
110	RY(18)C3 s(10.05%)p1.26(12.71%)d7.69(77.25%)	0.000001259	4.014340552 Hartree
111	RY(19)C3 s(0.00%)p1.00(65.76%)d0.52(34.24%)	0.000000000	2.398276703 Hartree
112	RY(20)C3 s(0.00%)p1.00(40.17%)d1.49(59.83%)	0.000000000	2.111362808 Hartree
113	RY(21)C3 s(0.00%)p1.00(32.93%)d2.04(67.07%)	0.000000000	2.239485411 Hartree
114	RY(22)C3 s(34.73%)p1.26(43.82%)d0.62(21.44%)	0.000000248	5.738583406 Hartree
115	RY(1)C4 s(0.07%)p99.99(93.39%)d92.35(6.54%)	0.005851566	1.397366488 Hartree
116	RY(2)C4 s(0.71%)p99.99(96.40%)d4.06(2.88%)	0.002284983	1.145211670 Hartree
117	RY(3)C4 s(0.00%)p1.00(81.63%)d0.23(18.37%)	0.001042834	0.443295760 Hartree
118	RY(4)C4 s(52.37%)p0.08(4.09%)d0.83(43.54%)	0.000650949	2.175073256 Hartree
119	RY(5)C4 s(0.00%)p1.00(11.14%)d7.98(88.86%)	0.000408750	2.354316508 Hartree
120	RY(6)C4 s(2.44%)p26.21(64.07%)d13.70(33.48%)	0.000315829	1.549243714 Hartree
121	RY(7)C4 s(2.15%)p19.42(41.77%)d26.07(56.08%)	0.000198360	3.398100011 Hartree
122	RY(8)C4 s(0.00%)p1.00(34.14%)d1.93(65.86%)	0.000141909	1.011440628 Hartree
123	RY(9)C4 s(38.53%)p0.88(33.82%)d0.72(27.65%)	0.000073902	3.060799870 Hartree
124	RY(10)C4 s(59.47%)p0.26(15.62%)d0.42(24.91%)	0.000032399	1.605305244 Hartree
125	RY(11)C4 s(6.88%)p7.00(48.13%)d6.54(44.99%)	0.000024480	2.226687133 Hartree
126	RY(12)C4 s(12.90%)p2.23(28.78%)d4.52(58.32%)	0.000023380	4.425598186 Hartree
127	RY(13)C4 s(10.52%)p4.85(51.03%)d3.65(38.44%)	0.000014982	1.432554315 Hartree
128	RY(14)C4 s(0.36%)p99.99(80.48%)d52.96(19.15%)	0.000004228	1.195701295 Hartree
129	RY(15)C4 s(16.39%)p0.95(15.55%)d4.15(68.06%)	0.000004224	3.077181502 Hartree
130	RY(16)C4 s(5.29%)p2.09(11.06%)d15.82(83.65%)	0.000001782	3.621500306 Hartree
131	RY(17)C4 s(37.98%)p1.00(38.15%)d0.63(23.87%)	0.000000321	10.069566109 Hartree
132	RY(18)C4 s(3.84%)p12.90(49.54%)d12.14(46.62%)	0.000000089	3.144060250 Hartree
133	RY(19)C4 s(50.21%)p0.20(10.21%)d0.79(39.58%)	0.000000038	9.391729529 Hartree
134	RY(20)C4 s(0.00%)p1.00(3.08%)d31.44(96.92%)	0.000000000	2.080703958 Hartree
135	RY(21)C4 s(0.00%)p1.00(4.56%)d20.93(95.44%)	0.000000000	3.275669500 Hartree
136	RY(22)C4 s(0.00%)p1.00(83.54%)d0.20(16.46%)	0.000000000	2.202426255 Hartree
137	RY(1)C5 s(0.07%)p99.99(93.02%)d96.93(6.91%)	0.005583295	1.382131354 Hartree
138	RY(2)C5 s(0.01%)p99.99(99.58%)d29.15(0.41%)	0.001684028	1.351245441 Hartree
139	RY(3)C5 s(0.00%)p1.00(78.12%)d0.28(21.88%)	0.000866053	0.458354853 Hartree
140	RY(4)C5 s(0.00%)p1.00(2.88%)d33.75(97.12%)	0.000568245	2.177842718 Hartree
141	RY(5)C5 s(46.68%)p0.08(3.90%)d1.06(49.42%)	0.000474205	2.082509121 Hartree
142	RY(6)C5 s(0.06%)p99.99(40.86%)d99.99(59.08%)	0.000258033	2.580680507 Hartree
143	RY(7)C5 s(3.61%)p5.30(19.13%)d21.42(77.27%)	0.000083014	2.516079327 Hartree
144	RY(8)C5 s(0.00%)p1.00(47.63%)d1.10(52.37%)	0.000053948	1.481908091 Hartree
145	RY(9)C5 s(42.48%)p0.08(3.57%)d1.27(53.95%)	0.000045817	1.600415147 Hartree
146	RY(10)C5 s(1.13%)p69.04(77.81%)d18.69(21.06%)	0.000032349	1.577654779 Hartree
147	RY(11)C5 s(2.91%)p11.33(32.93%)d22.07(64.16%)	0.000016668	3.358645984 Hartree
148	RY(12)C5 s(28.47%)p0.47(13.42%)d2.04(58.11%)	0.000008352	2.593169912 Hartree
149	RY(13)C5 s(27.99%)p2.04(57.21%)d0.53(14.80%)	0.000003891	6.476358745 Hartree
150	RY(14)C5 s(5.44%)p6.75(36.76%)d10.62(57.79%)	0.000002760	3.490429700 Hartree
151	RY(15)C5 s(0.00%)p1.00(42.65%)d1.34(57.35%)	0.000000000	2.256004864 Hartree
152	RY(16)C5 s(60.77%)p0.19(11.31%)d0.46(27.92%)	0.000000126	3.041695863 Hartree
153	RY(17)C5 s(12.54%)p3.44(43.13%)d3.53(44.32%)	0.000000763	3.888786661 Hartree
154	RY(18)C5 s(42.49%)p0.56(23.75%)d0.79(33.75%)	0.000000610	8.083131555 Hartree
155	RY(19)C5 s(0.00%)p1.00(29.86%)d2.35(70.14%)	0.000000000	2.501503858 Hartree
156	RY(20)C5 s(0.00%)p1.00(36.15%)d1.77(63.85%)	0.000000000	2.899385944 Hartree
157	RY(21)C5 s(25.48%)p1.72(43.76%)d1.21(30.76%)	0.000000060	6.099894599 Hartree
158	RY(22)C5 s(0.00%)p1.00(62.77%)d0.59(37.23%)	0.000000444	0.735492904 Hartree
159	RY(1)C6 s(0.24%)p99.99(92.95%)d28.04(6.80%)	0.005587717	1.394114430 Hartree
160	RY(2)C6 s(0.07%)p99.99(99.44%)d7.53(0.49%)	0.001718475	1.380477109 Hartree
161	RY(3)C6 s(0.00%)p1.00(83.47%)d0.20(16.53%)	0.001522460	0.395201327 Hartree
162	RY(4)C6 s(45.04%)p0.06(2.55%)d1.16(52.41%)	0.000423389	2.195961295 Hartree
163	RY(5)C6 s(0.00%)p1.00(0.08%)d99.99(99.92%)	0.000367912	2.660916321 Hartree
164	RY(6)C6 s(0.53%)p93.97(50.06%)d92.75(49.41%)	0.000269257	2.143605443 Hartree
165	RY(7)C6 s(7.85%)p3.04(23.89%)d8.69(68.26%)	0.000091900	3.534693612 Hartree
166	RY(8)C6 s(37.67%)p0.36(13.61%)d1.29(48.72%)	0.000041497	2.494358304 Hartree
167	RY(9)C6 s(4.15%)p16.78(69.68%)d6.30(26.17%)	0.000033489	2.039252486 Hartree
168	RY(10)C6 s(48.08%)p0.91(43.58%)d0.17(8.34%)	0.000012060	2.693533820 Hartree
169	RY(11)C6 s(0.16%)p51.68(8.36%)d99.99(91.48%)	0.000009908	2.607159561 Hartree
170	RY(12)C6 s(16.86%)p3.32(55.92%)d1.62(27.23%)	0.000005613	3.769393235 Hartree
171	RY(13)C6 s(0.00%)p1.00(61.52%)d0.63(38.48%)	0.000002513	0.811107052 Hartree
172	RY(14)C6 s(30.97%)p1.23(38.24%)d0.99(30.79%)	0.000001981	1.630390992 Hartree
173	RY(15)C6 s(0.00%)p1.00(99.64%)d0.00(0.36%)	0.000000000	2.790236167 Hartree
174	RY(16)C6 s(0.00%)p1.00(48.58%)d1.06(51.42%)	0.000000000	0.688367278 Hartree
175	RY(17)C6 s(0.00%)p1.00(0.50%)d99.99(99.50%)	0.000000000	3.368716547 Hartree
176	RY(18)C6 s(0.00%)p1.00(6.24%)d15.03(93.76%)	0.000000624	1.781440744 Hartree
177	RY(19)C6 s(4.13%)p5.40(22.32%)d17.80(73.55%)	0.000000995	3.009351479 Hartree
178	RY(20)C6 s(12.34%)p2.01(24.78%)d5.10(62.89%)	0.000000078	3.395079456 Hartree
179	RY(21)C6 s(75.95%)p0.10(7.81%)d0.21(16.23%)	0.000000048	13.959952209 Hartree
180	RY(22)C6 s(16.07%)p2.92(46.97%)d2.30(36.97%)	0.000000189	4.649397587 Hartree
181	RY(1)C7 s(0.07%)p99.99(93.42%)d91.82(6.51%)	0.005866417	1.349223906 Hartree
182	RY(2)C7 s(0.64%)p99.99(98.75%)d0.96(0.61%)	0.001772872	1.319550976 Hartree
183	RY(3)C7 s(0.00%)p1.00(77.33%)d0.29(22.67%)	0.001001367	0.468378432 Hartree
184	RY(4)C7 s(0.00%)p1.00(3.61%)d26.67(96.39%)	0.000499983	2.496932593 Hartree
185	RY(5)C7 s(50.44%)p0.07(3.31%)d0.92(46.24%)	0.000489389	2.013669549 Hartree
186	RY(6)C7 s(0.83%)p29.47(24.58%)d89.42(74.58%)	0.000208798	3.150873781 Hartree
187	RY(7)C7 s(2.53%)p8.76(22.17%)d29.75(75.30%)	0.000095160	2.508963243 Hartree
188	RY(8)C7 s(29.23%)p0.73(21.20%)d1.70(49.58%)	0.000041820	2.419983112 Hartree
189	RY(9)C7 s(27.86%)p1.97(55.01%)d0.61(17.13%)	0.000030155	2.164317542 Hartree
190	RY(10)C7 s(0.00%)p1.00(43.28%)d1.31(56.72%)	0.000025523	1.097967009 Hartree
191	RY(11)C7 s(58.47%)p0.49(28.36%)d0.23(13.17%)	0.000016264	1.776919059 Hartree
192	RY(12)C7 s(0.75%)p34.97(26.40%)d96.49(72.84%)	0.000013029	2.825585715 Hartree
193	RY(13)C7 s(10.35%)p2.04(21.10%)d6.62(68.55%)	0.000005739	5.028492492 Hartree
194	RY(14)C7 s(6.28%)p10.35(65.03%)d4.56(28.68%)	0.000003957	2.696093166 Hartree
195	RY(15)C7 s(8.29%)p4.08(33.84%)d6.98(57.87%)	0.000002328	3.022403322 Hartree
196	RY(16)C7 s(0.00%)p1.00(57.57%)d0.74(42.43%)	0.000002430	1.215593950 Hartree
197	RY(17)C7 s(70.54%)p0.23(16.53%)d0.18(12.93%)	0.000000438	12.558094518 Hartree
198	RY(18)C7 s(16.70%)p2.66(44.36%)d2.33(38.94%)	0.000001309	3.905015328 Hartree
199	RY(19)C7 s(0.00%)p1.00(25.31%)d2.95(74.69%)	0.000000000	1.643391028 Hartree
200	RY(20)C7 s(0.00%)p1.00(3.59%)d26.83(96.41%)	0.000000000	3.342639672 Hartree
201	RY(21)C7 s(0.00%)p1.00(89.33%)d0.12(10.67%)	0.000000000	2.246369636 Hartree
202	RY(22)C7 s(17.11%)p2.69(46.09%)d2.15(36.80%)	0.000000034	3.275838672 Hartree
203	RY(1)C8 s(0.30%)p99.99(92.47%)d24.48(7.24%)	0.004543173	1.361651166 Hartree
204	RY(2)C8 s(0.00%)p1.00(91.73%)d0.09(8.27%)	0.001501279	0.362899049 Hartree
205	RY(3)C8 s(2.05%)p46.14(94.62%)d1.62(3.32%)	0.001271084	1.703136095 Hartree
206	RY(4)C8 s(53.43%)p0.12(6.67%)d0.75(39.90%)	0.000639399	1.324501333 Hartree
207	RY(5)C8 s(0.00%)p1.00(10.57%)d8.46(89.43%)	0.000520138	1.991744591 Hartree
208	RY(6)C8 s(7.01%)p10.50(73.58%)d2.77(19.41%)	0.000281521	1.095324148 Hartree
209	RY(7)C8 s(28.76%)p0.70(20.05%)d1.78(51.18%)	0.000159115	2.187672011 Hartree
210	RY(8)C8 s(13.19%)p2.29(30.24%)d4.29(56.57%)	0.000132904	2.086345320 Hartree
211	RY(9)C8 s(0.00%)p1.00(9.79%)d9.21(90.21%)	0.000119062	0.983325883 Hartree
212	RY(10)C8 s(8.41%)p3.10(26.10%)d7.78(65.49%)	0.000039703	4.003201802 Hartree
213	RY(11)C8 s(5.96%)p7.49(44.66%)d8.28(49.38%)	0.000032023	2.163325674 Hartree
214	RY(12)C8 s(38.26%)p1.01(38.62%)d0.60(23.12%)	0.000023259	2.122397159 Hartree
215	RY(13)C8 s(11.33%)p3.18(36.02%)d4.65(52.65%)	0.000011342	2.528433625 Hartree
216	RY(14)C8 s(0.00%)p1.00(5.69%)d16.57(94.31%)	0.000008531	2.458947244 Hartree
217	RY(15)C8 s(34.79%)p1.08(37.72%)d0.79(27.49%)	0.000005518	3.556706319 Hartree
218	RY(16)C8 s(41.14%)p0.46(19.08%)d0.97(39.78%)	0.000001995	8.549607643 Hartree
219	RY(17)C8 s(5.40%)p2.99(16.13%)d14.54(78.47%)	0.000002673	4.292936311 Hartree
220	RY(18)C8 s(17.43%)p2.30(40.13%)d2.44(42.44%)	0.000000107	5.427538930 Hartree
221	RY(19)C8 s(0.00%)p1.00(3.33%)d28.99(96.67%)	0.000000000	3.339926187 Hartree
222	RY(20)C8 s(0.00%)p1.00(86.99%)d0.15(13.01%)	0.000000000	1.977690104 Hartree
223	RY(21)C8 s(0.00%)p1.00(91.94%)d0.09(8.06%)	0.000000000	1.451710556 Hartree
224	RY(22)C8 s(32.66%)p0.74(24.08%)d1.32(43.26%)	0.000000255	9.814209225 Hartree
225	RY(1)H9 s(97.93%)p0.02(2.07%)	0.001028475	0.750784967 Hartree
226	RY(2)H9 s(61.48%)p0.63(38.52%)	0.000235853	2.663184693 Hartree
227	RY(3)H9 s(0.00%)p1.00(100.00%)	0.000200343	1.817927412 Hartree
228	RY(4)H9 s(0.36%)p99.99(99.64%)	0.000049089	2.221949882 Hartree
229	RY(5)H9 s(40.29%)p1.48(59.71%)	0.000035882	2.260425845 Hartree
230	RY(1)H10 s(95.09%)p0.05(4.91%)	0.001244019	0.859124768 Hartree
231	RY(2)H10 s(65.36%)p0.53(34.64%)	0.000154752	2.523011033 Hartree
232	RY(3)H10 s(0.00%)p1.00(100.00%)	0.000138568	1.803794827 Hartree
233	RY(4)H10 s(0.19%)p99.99(99.81%)	0.000044201	2.200532100 Hartree
234	RY(5)H10 s(39.43%)p1.54(60.57%)	0.000022150	2.251504719 Hartree
235	RY(1)H11 s(92.43%)p0.08(7.57%)	0.000980280	0.965437557 Hartree
236	RY(2)H11 s(0.00%)p1.00(100.00%)	0.000145846	1.813801395 Hartree
237	RY(3)H11 s(69.44%)p0.44(30.56%)	0.000138796	2.416315178 Hartree
238	RY(4)H11 s(0.09%)p99.99(99.91%)	0.000040600	2.207029891 Hartree
239	RY(5)H11 s(38.10%)p1.62(61.90%)	0.000020279	2.264954317 Hartree
240	RY(1)H12 s(94.18%)p0.06(5.82%)	0.001020681	0.930871600 Hartree
241	RY(2)H12 s(66.17%)p0.51(33.83%)	0.000152343	2.479396371 Hartree
242	RY(3)H12 s(0.00%)p1.00(100.00%)	0.000132447	1.807079523 Hartree
243	RY(4)H12 s(0.36%)p99.99(99.64%)	0.000042728	2.203761364 Hartree
244	RY(5)H12 s(39.35%)p1.54(60.65%)	0.000022401	2.269389307 Hartree
245	RY(1)H13 s(97.66%)p0.02(2.34%)	0.001417575	0.735381759 Hartree
246	RY(2)H13 s(69.61%)p0.44(30.39%)	0.000263736	2.657731130 Hartree
247	RY(3)H13 s(0.00%)p1.00(100.00%)	0.000135067	1.821868751 Hartree
248	RY(4)H13 s(0.29%)p99.99(99.71%)	0.000049110	2.219087711 Hartree
249	RY(5)H13 s(32.51%)p2.08(67.49%)	0.000027105	2.267469758 Hartree
250	RY(1)H14 s(99.31%)p0.01(0.69%)	0.000343627	0.543850033 Hartree
251	RY(2)H14 s(0.00%)p1.00(100.00%)	0.000063570	1.835891008 Hartree
252	RY(3)H14 s(7.37%)p12.57(92.63%)	0.000061710	2.270083764 Hartree
253	RY(4)H14 s(92.23%)p0.08(7.77%)	0.000018182	2.404044955 Hartree
254	RY(5)H14 s(1.15%)p85.95(98.85%)	0.000002808	2.204223355 Hartree
255	RY(1)H15 s(99.41%)p0.01(0.59%)	0.001456521	0.465709577 Hartree
256	RY(2)H15 s(33.93%)p1.95(66.07%)	0.000099204	2.102837825 Hartree
257	RY(3)H15 s(8.52%)p10.73(91.48%)	0.000068502	2.270037974 Hartree
258	RY(4)H15 s(29.11%)p2.43(70.89%)	0.000042444	2.217480238 Hartree
259	RY(5)H15 s(29.08%)p2.44(70.92%)	0.000016090	2.252043334 Hartree
260	RY(1)H16 s(99.41%)p0.01(0.59%)	0.001456640	0.465697558 Hartree
261	RY(2)H16 s(33.94%)p1.95(66.06%)	0.000099218	2.102900322 Hartree
262	RY(3)H16 s(8.52%)p10.74(91.48%)	0.000068495	2.269932955 Hartree
263	RY(4)H16 s(29.10%)p2.44(70.90%)	0.000042451	2.217516307 Hartree
264	RY(5)H16 s(29.08%)p2.44(70.92%)	0.000016087	2.252057454 Hartree

Natural Bond Orbitals

Display Range		- / 264
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	CR(1)C1	876	1.999985089	-10.227003149 Hartree
2	CR(1)O2	877	1.999993484	-19.157729504 Hartree
3	CR(1)C3	878	1.999985052	-10.235066893 Hartree
4	CR(1)C4	879	1.999985599	-10.169508620 Hartree
5	CR(1)C5	880	1.999986240	-10.175132424 Hartree
6	CR(1)C6	881	1.999986163	-10.167380912 Hartree
7	CR(1)C7	882	1.999986152	-10.176418073 Hartree
8	CR(1)C8	883	1.999985213	-10.173541616 Hartree
9	LP(1)O2	884	1.963774775	-0.485053607 Hartree
10	LP(2)O2	885	1.846949615	-0.316572641 Hartree
11	BD(1)C1-O2	886, 887	1.992541596	-0.736012620 Hartree
12	BD(1)C1-H14	888, 889	1.991738997	-0.501550994 Hartree
13	BD(1)C1-H15	890, 891	1.994676544	-0.504472987 Hartree
14	BD(1)C1-H16	892, 893	1.994676619	-0.504472916 Hartree
15	BD(1)O2-C3	894, 895	1.991746894	-0.794550096 Hartree
16	BD(1)C3-C4	896, 897	1.973056613	-0.599258540 Hartree
17	BD(1)C3-C8	898, 899	1.978485137	-0.608652661 Hartree
18	BD(2)C3-C8	900, 901	1.665788400	-0.259124527 Hartree
19	BD(1)C4-C5	902, 903	1.976799170	-0.592331072 Hartree
20	BD(2)C4-C5	904, 905	1.704566203	-0.250673071 Hartree
21	BD(1)C4-H13	906, 907	1.977972972	-0.477975968 Hartree
22	BD(1)C5-C6	908, 909	1.978793515	-0.585578697 Hartree
23	BD(1)C5-H12	910, 911	1.980603627	-0.479630643 Hartree
24	BD(1)C6-C7	912, 913	1.979267525	-0.589690146 Hartree
25	BD(2)C6-C7	914, 915	1.690855433	-0.248424727 Hartree
26	BD(1)C6-H11	916, 917	1.980695017	-0.477006419 Hartree
27	BD(1)C7-C8	918, 919	1.975091891	-0.589913105 Hartree
28	BD(1)C7-H10	920, 921	1.980558060	-0.480444506 Hartree
29	BD(1)C8-H9	922, 923	1.977254869	-0.488623783 Hartree
30	BD*(1)C1-O2		0.008618831	0.281323161 Hartree
31	BD*(1)C1-H14		0.009146039	0.389779020 Hartree
32	BD*(1)C1-H15		0.019516686	0.371471640 Hartree
33	BD*(1)C1-H16		0.019517073	0.371469662 Hartree
34	BD*(1)O2-C3		0.030046004	0.365880521 Hartree
35	BD*(1)C3-C4		0.022363773	0.562762288 Hartree
36	BD*(1)C3-C8		0.028486872	0.564865292 Hartree
37	BD*(2)C3-C8		0.388581254	0.025604148 Hartree
38	BD*(1)C4-C5		0.012851759	0.589136410 Hartree
39	BD*(2)C4-C5		0.321421176	0.034867260 Hartree
40	BD*(1)C4-H13		0.013239378	0.436221801 Hartree
41	BD*(1)C5-C6		0.015462647	0.576318317 Hartree
42	BD*(1)C5-H12		0.013758593	0.438606509 Hartree
43	BD*(1)C6-C7		0.015033509	0.586657891 Hartree
44	BD*(2)C6-C7		0.336336539	0.034697141 Hartree
45	BD*(1)C6-H11		0.014017664	0.441390990 Hartree
46	BD*(1)C7-C8		0.014083033	0.576300728 Hartree
47	BD*(1)C7-H10		0.013990223	0.435616633 Hartree
48	BD*(1)C8-H9		0.014103285	0.436697376 Hartree
49	RY(1)C1	924	0.002380266	1.510227870 Hartree
50	RY(2)C1	925	0.001430242	0.963124615 Hartree
51	RY(3)C1	926	0.001305786	1.548723403 Hartree
52	RY(4)C1	927	0.000246455	0.716195005 Hartree
53	RY(5)C1	928	0.000244009	2.775269107 Hartree
54	RY(6)C1	929	0.000132037	1.903364224 Hartree
55	RY(7)C1	930	0.000022239	1.886444500 Hartree
56	RY(8)C1	931	0.000016436	2.485341042 Hartree
57	RY(9)C1	932	0.000011332	3.737806992 Hartree
58	RY(10)C1	933	0.000007102	5.318447603 Hartree
59	RY(11)C1	934	0.000001850	3.308735348 Hartree
60	RY(12)C1	935	0.000002248	0.746248659 Hartree
61	RY(13)C1	936	0.000001091	3.196902071 Hartree
62	RY(14)C1	937	0.000000000	2.914498492 Hartree
63	RY(15)C1	938	0.000000000	1.341817739 Hartree
64	RY(16)C1	939	0.000000006	2.730104026 Hartree
65	RY(17)C1	940	0.000000000	2.417348276 Hartree
66	RY(18)C1	941	0.000000075	7.284194672 Hartree
67	RY(19)C1	942	0.000000909	2.207988066 Hartree
68	RY(20)C1	943	0.000000263	5.306137789 Hartree
69	RY(21)C1	944	0.000000634	2.467967687 Hartree
70	RY(22)C1	945	0.000000022	3.326576268 Hartree
71	RY(1)O2	946	0.004252302	0.727570025 Hartree
72	RY(2)O2	947	0.003832373	0.615334509 Hartree
73	RY(3)O2	948	0.000782018	1.372137277 Hartree
74	RY(4)O2	949	0.000313519	0.958507876 Hartree
75	RY(5)O2	950	0.000253039	1.915599919 Hartree
76	RY(6)O2	951	0.000147842	3.184437803 Hartree
77	RY(7)O2	952	0.000064055	2.862810572 Hartree
78	RY(8)O2	953	0.000057784	2.135394022 Hartree
79	RY(9)O2	954	0.000041723	1.767147776 Hartree
80	RY(10)O2	955	0.000024199	2.697755781 Hartree
81	RY(11)O2	956	0.000013562	1.321855065 Hartree
82	RY(12)O2	957	0.000007580	1.848389968 Hartree
83	RY(13)O2	958	0.000006422	1.803953531 Hartree
84	RY(14)O2	959	0.000001675	6.797665394 Hartree
85	RY(15)O2	960	0.000001465	5.016813037 Hartree
86	RY(16)O2	961	0.000000005	47.196948416 Hartree
87	RY(17)O2	962	0.000000000	4.894508653 Hartree
88	RY(18)O2	963	0.000000304	5.241184829 Hartree
89	RY(19)O2	964	0.000000000	6.727173958 Hartree
90	RY(20)O2	965	0.000000000	4.956305166 Hartree
91	RY(21)O2	966	0.000000100	6.433120663 Hartree
92	RY(22)O2	967	0.000000034	7.977837983 Hartree
93	RY(1)C3	968	0.006437432	1.378462268 Hartree
94	RY(2)C3	969	0.003850856	1.574999863 Hartree
95	RY(3)C3	970	0.001889884	1.770167292 Hartree
96	RY(4)C3	971	0.001603972	1.752070889 Hartree
97	RY(5)C3	972	0.000635139	2.024874227 Hartree
98	RY(6)C3	973	0.000494339	2.497209830 Hartree
99	RY(7)C3	974	0.000382201	1.156275927 Hartree
100	RY(8)C3	975	0.000336640	3.620158374 Hartree
101	RY(9)C3	976	0.000214278	3.020265290 Hartree
102	RY(10)C3	977	0.000153116	2.411875666 Hartree
103	RY(11)C3	978	0.000086562	1.241863507 Hartree
104	RY(12)C3	979	0.000080520	2.831395786 Hartree
105	RY(13)C3	980	0.000023354	2.558392946 Hartree
106	RY(14)C3	981	0.000020212	2.756793724 Hartree
107	RY(15)C3	982	0.000007501	1.907738286 Hartree
108	RY(16)C3	983	0.000002048	2.616198556 Hartree
109	RY(17)C3	984	0.000000893	11.453999887 Hartree
110	RY(18)C3	985	0.000001259	4.014340552 Hartree
111	RY(19)C3	986	0.000000000	2.398276703 Hartree
112	RY(20)C3	987	0.000000000	2.111362808 Hartree
113	RY(21)C3	988	0.000000000	2.239485411 Hartree
114	RY(22)C3	989	0.000000248	5.738583406 Hartree
115	RY(1)C4	990	0.005851566	1.397366488 Hartree
116	RY(2)C4	991	0.002284983	1.145211670 Hartree
117	RY(3)C4	992	0.001042834	0.443295760 Hartree
118	RY(4)C4	993	0.000650949	2.175073256 Hartree
119	RY(5)C4	994	0.000408750	2.354316508 Hartree
120	RY(6)C4	995	0.000315829	1.549243714 Hartree
121	RY(7)C4	996	0.000198360	3.398100011 Hartree
122	RY(8)C4	997	0.000141909	1.011440628 Hartree
123	RY(9)C4	998	0.000073902	3.060799870 Hartree
124	RY(10)C4	999	0.000032399	1.605305244 Hartree
125	RY(11)C4	1000	0.000024480	2.226687133 Hartree
126	RY(12)C4	1001	0.000023380	4.425598186 Hartree
127	RY(13)C4	1002	0.000014982	1.432554315 Hartree
128	RY(14)C4	1003	0.000004228	1.195701295 Hartree
129	RY(15)C4	1004	0.000004224	3.077181502 Hartree
130	RY(16)C4	1005	0.000001782	3.621500306 Hartree
131	RY(17)C4	1006	0.000000321	10.069566109 Hartree
132	RY(18)C4	1007	0.000000089	3.144060250 Hartree
133	RY(19)C4	1008	0.000000038	9.391729529 Hartree
134	RY(20)C4	1009	0.000000000	2.080703958 Hartree
135	RY(21)C4	1010	0.000000000	3.275669500 Hartree
136	RY(22)C4	1011	0.000000000	2.202426255 Hartree
137	RY(1)C5	1012	0.005583295	1.382131354 Hartree
138	RY(2)C5	1013	0.001684028	1.351245441 Hartree
139	RY(3)C5	1014	0.000866053	0.458354853 Hartree
140	RY(4)C5	1015	0.000568245	2.177842718 Hartree
141	RY(5)C5	1016	0.000474205	2.082509121 Hartree
142	RY(6)C5	1017	0.000258033	2.580680507 Hartree
143	RY(7)C5	1018	0.000083014	2.516079327 Hartree
144	RY(8)C5	1019	0.000053948	1.481908091 Hartree
145	RY(9)C5	1020	0.000045817	1.600415147 Hartree
146	RY(10)C5	1021	0.000032349	1.577654779 Hartree
147	RY(11)C5	1022	0.000016668	3.358645984 Hartree
148	RY(12)C5	1023	0.000008352	2.593169912 Hartree
149	RY(13)C5	1024	0.000003891	6.476358745 Hartree
150	RY(14)C5	1025	0.000002760	3.490429700 Hartree
151	RY(15)C5	1026	0.000000000	2.256004864 Hartree
152	RY(16)C5	1027	0.000000126	3.041695863 Hartree
153	RY(17)C5	1028	0.000000763	3.888786661 Hartree
154	RY(18)C5	1029	0.000000610	8.083131555 Hartree
155	RY(19)C5	1030	0.000000000	2.501503858 Hartree
156	RY(20)C5	1031	0.000000000	2.899385944 Hartree
157	RY(21)C5	1032	0.000000060	6.099894599 Hartree
158	RY(22)C5	1033	0.000000444	0.735492904 Hartree
159	RY(1)C6	1034	0.005587717	1.394114430 Hartree
160	RY(2)C6	1035	0.001718475	1.380477109 Hartree
161	RY(3)C6	1036	0.001522460	0.395201327 Hartree
162	RY(4)C6	1037	0.000423389	2.195961295 Hartree
163	RY(5)C6	1038	0.000367912	2.660916321 Hartree
164	RY(6)C6	1039	0.000269257	2.143605443 Hartree
165	RY(7)C6	1040	0.000091900	3.534693612 Hartree
166	RY(8)C6	1041	0.000041497	2.494358304 Hartree
167	RY(9)C6	1042	0.000033489	2.039252486 Hartree
168	RY(10)C6	1043	0.000012060	2.693533820 Hartree
169	RY(11)C6	1044	0.000009908	2.607159561 Hartree
170	RY(12)C6	1045	0.000005613	3.769393235 Hartree
171	RY(13)C6	1046	0.000002513	0.811107052 Hartree
172	RY(14)C6	1047	0.000001981	1.630390992 Hartree
173	RY(15)C6	1048	0.000000000	2.790236167 Hartree
174	RY(16)C6	1049	0.000000000	0.688367278 Hartree
175	RY(17)C6	1050	0.000000000	3.368716547 Hartree
176	RY(18)C6	1051	0.000000624	1.781440744 Hartree
177	RY(19)C6	1052	0.000000995	3.009351479 Hartree
178	RY(20)C6	1053	0.000000078	3.395079456 Hartree
179	RY(21)C6	1054	0.000000048	13.959952209 Hartree
180	RY(22)C6	1055	0.000000189	4.649397587 Hartree
181	RY(1)C7	1056	0.005866417	1.349223906 Hartree
182	RY(2)C7	1057	0.001772872	1.319550976 Hartree
183	RY(3)C7	1058	0.001001367	0.468378432 Hartree
184	RY(4)C7	1059	0.000499983	2.496932593 Hartree
185	RY(5)C7	1060	0.000489389	2.013669549 Hartree
186	RY(6)C7	1061	0.000208798	3.150873781 Hartree
187	RY(7)C7	1062	0.000095160	2.508963243 Hartree
188	RY(8)C7	1063	0.000041820	2.419983112 Hartree
189	RY(9)C7	1064	0.000030155	2.164317542 Hartree
190	RY(10)C7	1065	0.000025523	1.097967009 Hartree
191	RY(11)C7	1066	0.000016264	1.776919059 Hartree
192	RY(12)C7	1067	0.000013029	2.825585715 Hartree
193	RY(13)C7	1068	0.000005739	5.028492492 Hartree
194	RY(14)C7	1069	0.000003957	2.696093166 Hartree
195	RY(15)C7	1070	0.000002328	3.022403322 Hartree
196	RY(16)C7	1071	0.000002430	1.215593950 Hartree
197	RY(17)C7	1072	0.000000438	12.558094518 Hartree
198	RY(18)C7	1073	0.000001309	3.905015328 Hartree
199	RY(19)C7	1074	0.000000000	1.643391028 Hartree
200	RY(20)C7	1075	0.000000000	3.342639672 Hartree
201	RY(21)C7	1076	0.000000000	2.246369636 Hartree
202	RY(22)C7	1077	0.000000034	3.275838672 Hartree
203	RY(1)C8	1078	0.004543173	1.361651166 Hartree
204	RY(2)C8	1079	0.001501279	0.362899049 Hartree
205	RY(3)C8	1080	0.001271084	1.703136095 Hartree
206	RY(4)C8	1081	0.000639399	1.324501333 Hartree
207	RY(5)C8	1082	0.000520138	1.991744591 Hartree
208	RY(6)C8	1083	0.000281521	1.095324148 Hartree
209	RY(7)C8	1084	0.000159115	2.187672011 Hartree
210	RY(8)C8	1085	0.000132904	2.086345320 Hartree
211	RY(9)C8	1086	0.000119062	0.983325883 Hartree
212	RY(10)C8	1087	0.000039703	4.003201802 Hartree
213	RY(11)C8	1088	0.000032023	2.163325674 Hartree
214	RY(12)C8	1089	0.000023259	2.122397159 Hartree
215	RY(13)C8	1090	0.000011342	2.528433625 Hartree
216	RY(14)C8	1091	0.000008531	2.458947244 Hartree
217	RY(15)C8	1092	0.000005518	3.556706319 Hartree
218	RY(16)C8	1093	0.000001995	8.549607643 Hartree
219	RY(17)C8	1094	0.000002673	4.292936311 Hartree
220	RY(18)C8	1095	0.000000107	5.427538930 Hartree
221	RY(19)C8	1096	0.000000000	3.339926187 Hartree
222	RY(20)C8	1097	0.000000000	1.977690104 Hartree
223	RY(21)C8	1098	0.000000000	1.451710556 Hartree
224	RY(22)C8	1099	0.000000255	9.814209225 Hartree
225	RY(1)H9	1100	0.001028475	0.750784967 Hartree
226	RY(2)H9	1101	0.000235853	2.663184693 Hartree
227	RY(3)H9	1102	0.000200343	1.817927412 Hartree
228	RY(4)H9	1103	0.000049089	2.221949882 Hartree
229	RY(5)H9	1104	0.000035882	2.260425845 Hartree
230	RY(1)H10	1105	0.001244019	0.859124768 Hartree
231	RY(2)H10	1106	0.000154752	2.523011033 Hartree
232	RY(3)H10	1107	0.000138568	1.803794827 Hartree
233	RY(4)H10	1108	0.000044201	2.200532100 Hartree
234	RY(5)H10	1109	0.000022150	2.251504719 Hartree
235	RY(1)H11	1110	0.000980280	0.965437557 Hartree
236	RY(2)H11	1111	0.000145846	1.813801395 Hartree
237	RY(3)H11	1112	0.000138796	2.416315178 Hartree
238	RY(4)H11	1113	0.000040600	2.207029891 Hartree
239	RY(5)H11	1114	0.000020279	2.264954317 Hartree
240	RY(1)H12	1115	0.001020681	0.930871600 Hartree
241	RY(2)H12	1116	0.000152343	2.479396371 Hartree
242	RY(3)H12	1117	0.000132447	1.807079523 Hartree
243	RY(4)H12	1118	0.000042728	2.203761364 Hartree
244	RY(5)H12	1119	0.000022401	2.269389307 Hartree
245	RY(1)H13	1120	0.001417575	0.735381759 Hartree
246	RY(2)H13	1121	0.000263736	2.657731130 Hartree
247	RY(3)H13	1122	0.000135067	1.821868751 Hartree
248	RY(4)H13	1123	0.000049110	2.219087711 Hartree
249	RY(5)H13	1124	0.000027105	2.267469758 Hartree
250	RY(1)H14	1125	0.000343627	0.543850033 Hartree
251	RY(2)H14	1126	0.000063570	1.835891008 Hartree
252	RY(3)H14	1127	0.000061710	2.270083764 Hartree
253	RY(4)H14	1128	0.000018182	2.404044955 Hartree
254	RY(5)H14	1129	0.000002808	2.204223355 Hartree
255	RY(1)H15	1130	0.001456521	0.465709577 Hartree
256	RY(2)H15	1131	0.000099204	2.102837825 Hartree
257	RY(3)H15	1132	0.000068502	2.270037974 Hartree
258	RY(4)H15	1133	0.000042444	2.217480238 Hartree
259	RY(5)H15	1134	0.000016090	2.252043334 Hartree
260	RY(1)H16	1135	0.001456640	0.465697558 Hartree
261	RY(2)H16	1136	0.000099218	2.102900322 Hartree
262	RY(3)H16	1137	0.000068495	2.269932955 Hartree
263	RY(4)H16	1138	0.000042451	2.217516307 Hartree
264	RY(5)H16	1139	0.000016087	2.252057454 Hartree

Quote

FROM AN ANONYMOUS WRITER, ON PERSPECTIVE: MAN, DESPITE HIS ARTISTIC PRETENSIONS, HIS SOPHISTICATION AND MANY ACCOMPLISHMENTS, OWES THE FACT OF HIS EXISTENCE TO A SIX-INCH LAYER OF TOPSOIL AND THE FACT THAT IT RAINS.