WebMO Job Summary

Overview

Quantity	Value
Route	#N B3LYP/6-311+G(2d,p) SP GFINPUT POP=(FULL,NBO6Read) Geom=Connectivit
Stoichiometry	C₈H₈O₃
Symmetry	CS
Basis	6-311+G(2d,p)
RB3LYP Energy	-535.491054583 Hartree
Dipole Moment	5.2182 Debye
Server	batch (154606)
CPU time	1637.6 sec

Rotational Constants

Constant	Frequency (GHz)	Frequency (cm^-1)
a	1.8869953	0.06294338799
b	0.7743963	0.02583108011
c	0.5509970	0.01837928158

Partial Charges

Atom	Symbol	Charge
1	C	-0.129205
2	O	-0.568917
3	C	0.217056
4	C	-0.377133
5	C	0.514907
6	C	-0.200116
7	C	-0.004755
8	C	0.182391
9	O	-0.458858
10	H	0.311013
11	H	0.103479
12	H	0.121568
13	C	0.110617
14	O	-0.416294
15	H	0.071461
16	H	0.094781
17	H	0.143878
18	H	0.142065
19	H	0.142065

Molecular Orbitals

Display Range		- / 345
Orbital	Symmetry	Occupancy	Energy	Actions
1	-	2	-19.18655 Hartree
2	-	2	-19.17415 Hartree
3	-	2	-19.11628 Hartree
4	-	2	-10.25754 Hartree
5	-	2	-10.25750 Hartree
6	-	2	-10.25472 Hartree
7	-	2	-10.24903 Hartree
8	-	2	-10.20006 Hartree
9	-	2	-10.19015 Hartree
10	-	2	-10.18887 Hartree
11	-	2	-10.18814 Hartree
12	-	2	-1.10712 Hartree
13	-	2	-1.07777 Hartree
14	-	2	-1.04594 Hartree
15	-	2	-0.87820 Hartree
16	-	2	-0.78471 Hartree
17	-	2	-0.77886 Hartree
18	-	2	-0.72718 Hartree
19	-	2	-0.66643 Hartree
20	-	2	-0.63458 Hartree
21	-	2	-0.59115 Hartree
22	-	2	-0.58044 Hartree
23	-	2	-0.52808 Hartree
24	-	2	-0.51782 Hartree
25	-	2	-0.50019 Hartree
26	-	2	-0.49410 Hartree
27	-	2	-0.47027 Hartree
28	-	2	-0.45220 Hartree
29	-	2	-0.43923 Hartree
30	-	2	-0.43905 Hartree
31	-	2	-0.41859 Hartree
32	-	2	-0.40682 Hartree
33	-	2	-0.40520 Hartree
34	-	2	-0.37486 Hartree
35	-	2	-0.37017 Hartree
36	-	2	-0.36943 Hartree
37	-	2	-0.34050 Hartree
38	-	2	-0.26818 Hartree
39	-	2	-0.26173 Hartree
40	-	2	-0.23679 Hartree
41	-	0	-0.06737 Hartree
42	-	0	-0.02457 Hartree
43	-	0	-0.01182 Hartree
44	-	0	-0.00570 Hartree
45	-	0	0.01729 Hartree
46	-	0	0.02163 Hartree
47	-	0	0.02243 Hartree
48	-	0	0.03935 Hartree
49	-	0	0.03962 Hartree
50	-	0	0.04211 Hartree
51	-	0	0.05467 Hartree
52	-	0	0.06467 Hartree
53	-	0	0.06580 Hartree
54	-	0	0.07349 Hartree
55	-	0	0.07730 Hartree
56	-	0	0.08830 Hartree
57	-	0	0.10245 Hartree
58	-	0	0.10600 Hartree
59	-	0	0.10960 Hartree
60	-	0	0.11436 Hartree
61	-	0	0.11743 Hartree
62	-	0	0.12758 Hartree
63	-	0	0.12929 Hartree
64	-	0	0.13812 Hartree
65	-	0	0.15080 Hartree
66	-	0	0.15121 Hartree
67	-	0	0.15895 Hartree
68	-	0	0.16286 Hartree
69	-	0	0.16540 Hartree
70	-	0	0.17032 Hartree
71	-	0	0.17558 Hartree
72	-	0	0.18541 Hartree
73	-	0	0.18726 Hartree
74	-	0	0.19341 Hartree
75	-	0	0.20163 Hartree
76	-	0	0.20299 Hartree
77	-	0	0.20999 Hartree
78	-	0	0.21973 Hartree
79	-	0	0.22119 Hartree
80	-	0	0.22860 Hartree
81	-	0	0.23762 Hartree
82	-	0	0.23800 Hartree
83	-	0	0.24076 Hartree
84	-	0	0.25351 Hartree
85	-	0	0.26458 Hartree
86	-	0	0.26697 Hartree
87	-	0	0.27549 Hartree
88	-	0	0.27921 Hartree
89	-	0	0.28067 Hartree
90	-	0	0.28818 Hartree
91	-	0	0.29695 Hartree
92	-	0	0.31079 Hartree
93	-	0	0.31098 Hartree
94	-	0	0.32503 Hartree
95	-	0	0.32750 Hartree
96	-	0	0.33166 Hartree
97	-	0	0.34243 Hartree
98	-	0	0.35210 Hartree
99	-	0	0.36146 Hartree
100	-	0	0.37204 Hartree
101	-	0	0.38432 Hartree
102	-	0	0.40030 Hartree
103	-	0	0.40673 Hartree
104	-	0	0.42350 Hartree
105	-	0	0.43236 Hartree
106	-	0	0.45829 Hartree
107	-	0	0.47197 Hartree
108	-	0	0.47937 Hartree
109	-	0	0.48370 Hartree
110	-	0	0.50535 Hartree
111	-	0	0.51413 Hartree
112	-	0	0.51823 Hartree
113	-	0	0.52109 Hartree
114	-	0	0.52920 Hartree
115	-	0	0.53522 Hartree
116	-	0	0.54904 Hartree
117	-	0	0.55887 Hartree
118	-	0	0.56375 Hartree
119	-	0	0.57056 Hartree
120	-	0	0.58150 Hartree
121	-	0	0.58886 Hartree
122	-	0	0.59966 Hartree
123	-	0	0.60692 Hartree
124	-	0	0.61274 Hartree
125	-	0	0.63230 Hartree
126	-	0	0.63388 Hartree
127	-	0	0.63946 Hartree
128	-	0	0.65918 Hartree
129	-	0	0.68215 Hartree
130	-	0	0.68835 Hartree
131	-	0	0.69422 Hartree
132	-	0	0.70794 Hartree
133	-	0	0.70898 Hartree
134	-	0	0.71136 Hartree
135	-	0	0.73304 Hartree
136	-	0	0.73792 Hartree
137	-	0	0.75210 Hartree
138	-	0	0.76232 Hartree
139	-	0	0.76851 Hartree
140	-	0	0.79742 Hartree
141	-	0	0.80141 Hartree
142	-	0	0.80866 Hartree
143	-	0	0.81855 Hartree
144	-	0	0.82387 Hartree
145	-	0	0.83429 Hartree
146	-	0	0.84878 Hartree
147	-	0	0.86670 Hartree
148	-	0	0.87517 Hartree
149	-	0	0.89454 Hartree
150	-	0	0.91015 Hartree
151	-	0	0.91200 Hartree
152	-	0	0.95292 Hartree
153	-	0	0.95967 Hartree
154	-	0	0.96557 Hartree
155	-	0	1.00584 Hartree
156	-	0	1.02141 Hartree
157	-	0	1.02821 Hartree
158	-	0	1.04479 Hartree
159	-	0	1.05630 Hartree
160	-	0	1.06679 Hartree
161	-	0	1.07252 Hartree
162	-	0	1.09343 Hartree
163	-	0	1.09732 Hartree
164	-	0	1.11113 Hartree
165	-	0	1.12247 Hartree
166	-	0	1.12949 Hartree
167	-	0	1.14690 Hartree
168	-	0	1.16984 Hartree
169	-	0	1.18710 Hartree
170	-	0	1.18949 Hartree
171	-	0	1.20064 Hartree
172	-	0	1.21642 Hartree
173	-	0	1.21951 Hartree
174	-	0	1.23717 Hartree
175	-	0	1.23744 Hartree
176	-	0	1.28350 Hartree
177	-	0	1.29254 Hartree
178	-	0	1.30824 Hartree
179	-	0	1.33218 Hartree
180	-	0	1.33336 Hartree
181	-	0	1.34310 Hartree
182	-	0	1.34898 Hartree
183	-	0	1.37727 Hartree
184	-	0	1.38550 Hartree
185	-	0	1.40508 Hartree
186	-	0	1.41783 Hartree
187	-	0	1.46414 Hartree
188	-	0	1.48267 Hartree
189	-	0	1.51095 Hartree
190	-	0	1.55298 Hartree
191	-	0	1.55633 Hartree
192	-	0	1.55655 Hartree
193	-	0	1.59317 Hartree
194	-	0	1.61128 Hartree
195	-	0	1.62386 Hartree
196	-	0	1.65149 Hartree
197	-	0	1.67420 Hartree
198	-	0	1.69664 Hartree
199	-	0	1.72556 Hartree
200	-	0	1.73558 Hartree
201	-	0	1.73647 Hartree
202	-	0	1.76983 Hartree
203	-	0	1.77833 Hartree
204	-	0	1.79582 Hartree
205	-	0	1.82363 Hartree
206	-	0	1.83275 Hartree
207	-	0	1.86415 Hartree
208	-	0	1.88845 Hartree
209	-	0	1.89839 Hartree
210	-	0	1.95397 Hartree
211	-	0	1.98632 Hartree
212	-	0	2.00734 Hartree
213	-	0	2.02179 Hartree
214	-	0	2.06041 Hartree
215	-	0	2.06333 Hartree
216	-	0	2.11781 Hartree
217	-	0	2.12422 Hartree
218	-	0	2.14395 Hartree
219	-	0	2.17627 Hartree
220	-	0	2.21984 Hartree
221	-	0	2.22331 Hartree
222	-	0	2.24901 Hartree
223	-	0	2.29556 Hartree
224	-	0	2.31624 Hartree
225	-	0	2.34428 Hartree
226	-	0	2.37105 Hartree
227	-	0	2.37230 Hartree
228	-	0	2.43466 Hartree
229	-	0	2.49722 Hartree
230	-	0	2.52738 Hartree
231	-	0	2.55509 Hartree
232	-	0	2.59432 Hartree
233	-	0	2.60668 Hartree
234	-	0	2.61094 Hartree
235	-	0	2.63048 Hartree
236	-	0	2.64641 Hartree
237	-	0	2.68079 Hartree
238	-	0	2.69533 Hartree
239	-	0	2.71474 Hartree
240	-	0	2.73018 Hartree
241	-	0	2.75228 Hartree
242	-	0	2.75501 Hartree
243	-	0	2.79675 Hartree
244	-	0	2.84305 Hartree
245	-	0	2.86505 Hartree
246	-	0	2.87217 Hartree
247	-	0	2.88535 Hartree
248	-	0	2.90606 Hartree
249	-	0	2.91103 Hartree
250	-	0	3.01060 Hartree
251	-	0	3.03490 Hartree
252	-	0	3.06643 Hartree
253	-	0	3.07035 Hartree
254	-	0	3.09058 Hartree
255	-	0	3.09286 Hartree
256	-	0	3.11406 Hartree
257	-	0	3.15028 Hartree
258	-	0	3.15969 Hartree
259	-	0	3.17530 Hartree
260	-	0	3.20799 Hartree
261	-	0	3.25475 Hartree
262	-	0	3.25713 Hartree
263	-	0	3.28733 Hartree
264	-	0	3.30889 Hartree
265	-	0	3.33464 Hartree
266	-	0	3.33742 Hartree
267	-	0	3.37137 Hartree
268	-	0	3.37283 Hartree
269	-	0	3.37849 Hartree
270	-	0	3.39486 Hartree
271	-	0	3.41794 Hartree
272	-	0	3.43661 Hartree
273	-	0	3.45021 Hartree
274	-	0	3.46561 Hartree
275	-	0	3.48085 Hartree
276	-	0	3.49826 Hartree
277	-	0	3.54164 Hartree
278	-	0	3.56440 Hartree
279	-	0	3.57863 Hartree
280	-	0	3.59137 Hartree
281	-	0	3.61112 Hartree
282	-	0	3.62098 Hartree
283	-	0	3.62613 Hartree
284	-	0	3.64619 Hartree
285	-	0	3.65987 Hartree
286	-	0	3.68532 Hartree
287	-	0	3.68737 Hartree
288	-	0	3.72364 Hartree
289	-	0	3.77123 Hartree
290	-	0	3.78335 Hartree
291	-	0	3.81222 Hartree
292	-	0	3.86875 Hartree
293	-	0	3.91572 Hartree
294	-	0	3.94750 Hartree
295	-	0	3.96316 Hartree
296	-	0	3.98713 Hartree
297	-	0	3.99871 Hartree
298	-	0	4.01142 Hartree
299	-	0	4.06830 Hartree
300	-	0	4.09261 Hartree
301	-	0	4.14928 Hartree
302	-	0	4.16274 Hartree
303	-	0	4.20200 Hartree
304	-	0	4.24150 Hartree
305	-	0	4.44225 Hartree
306	-	0	4.48211 Hartree
307	-	0	4.67156 Hartree
308	-	0	4.79978 Hartree
309	-	0	4.85705 Hartree
310	-	0	4.97458 Hartree
311	-	0	5.03547 Hartree
312	-	0	5.04753 Hartree
313	-	0	5.24162 Hartree
314	-	0	5.26539 Hartree
315	-	0	5.44086 Hartree
316	-	0	5.60215 Hartree
317	-	0	5.84712 Hartree
318	-	0	6.01181 Hartree
319	-	0	6.05571 Hartree
320	-	0	6.79757 Hartree
321	-	0	6.82654 Hartree
322	-	0	6.86678 Hartree
323	-	0	6.90302 Hartree
324	-	0	6.97736 Hartree
325	-	0	7.01566 Hartree
326	-	0	7.01814 Hartree
327	-	0	7.02526 Hartree
328	-	0	7.06401 Hartree
329	-	0	7.22425 Hartree
330	-	0	7.25738 Hartree
331	-	0	7.29148 Hartree
332	-	0	7.34270 Hartree
333	-	0	7.44374 Hartree
334	-	0	7.51338 Hartree
335	-	0	23.70649 Hartree
336	-	0	23.96132 Hartree
337	-	0	23.98150 Hartree
338	-	0	24.03788 Hartree
339	-	0	24.07828 Hartree
340	-	0	24.15588 Hartree
341	-	0	24.17458 Hartree
342	-	0	24.19896 Hartree
343	-	0	49.97235 Hartree
344	-	0	50.00711 Hartree
345	-	0	50.04892 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom	Symbol	Charge
1	C	-0.19761
2	O	-0.57290
3	C	0.25547
4	C	-0.23845
5	C	-0.18453
6	C	-0.15074
7	C	-0.24456
8	C	0.31855
9	O	-0.67170
10	H	0.49480
11	H	0.22480
12	H	0.23114
13	C	0.42362
14	O	-0.54804
15	H	0.10160
16	H	0.21553
17	H	0.19379
18	H	0.17461
19	H	0.17461

Natural Atomic Orbitals

Display Range		- / 345
Orbital	Description	Occupancy	Energy	Actions
1	C1 Cor(1s)	1.999986250	-10.248913975 Hartree
2	C1 Val(2s)	1.086720701	-0.227002066 Hartree
3	C1 Ryd(3s)	0.001850870	0.951115200 Hartree
4	C1 Ryd(4s)	0.000026649	14.900070580 Hartree
5	C1 Ryd(5s)	0.000012712	6.860604972 Hartree
6	C1 Val(2p)	1.152690796	-0.137146410 Hartree
7	C1 Ryd(3p)	0.001945075	0.874985671 Hartree
8	C1 Ryd(4p)	0.000207614	2.155190524 Hartree
9	C1 Ryd(5p)	0.000066832	1.958945308 Hartree
10	C1 Val(2p)	0.759525049	-0.090287805 Hartree
11	C1 Ryd(3p)	0.003194942	0.703827019 Hartree
12	C1 Ryd(4p)	0.000139808	1.917203646 Hartree
13	C1 Ryd(5p)	0.000059348	1.871317356 Hartree
14	C1 Val(2p)	1.184473954	-0.135840752 Hartree
15	C1 Ryd(3p)	0.000335588	0.651673494 Hartree
16	C1 Ryd(4p)	0.000081793	1.556527546 Hartree
17	C1 Ryd(5p)	0.000023329	1.643949205 Hartree
18	C1 Ryd(3d)	0.001021184	2.081065189 Hartree
19	C1 Ryd(4d)	0.000055698	2.812629774 Hartree
20	C1 Ryd(3d)	0.000628428	1.938333380 Hartree
21	C1 Ryd(4d)	0.000051812	2.544068201 Hartree
22	C1 Ryd(3d)	0.001701149	1.928446993 Hartree
23	C1 Ryd(4d)	0.000012102	2.726716143 Hartree
24	C1 Ryd(3d)	0.001540154	2.129269373 Hartree
25	C1 Ryd(4d)	0.000103142	3.125203643 Hartree
26	C1 Ryd(3d)	0.001119814	2.116891123 Hartree
27	C1 Ryd(4d)	0.000032841	2.933855892 Hartree
28	O2 Cor(1s)	1.999995094	-19.186488780 Hartree
29	O2 Val(2s)	1.593742278	-0.741966761 Hartree
30	O2 Ryd(3s)	0.001503941	2.181078461 Hartree
31	O2 Ryd(4s)	0.000111498	1.585858499 Hartree
32	O2 Ryd(5s)	0.000000181	48.843222981 Hartree
33	O2 Val(2p)	1.525805170	-0.336112506 Hartree
34	O2 Ryd(3p)	0.002863905	0.936241756 Hartree
35	O2 Ryd(4p)	0.000676016	1.016456327 Hartree
36	O2 Ryd(5p)	0.000026778	5.135555507 Hartree
37	O2 Val(2p)	1.568810837	-0.340060699 Hartree
38	O2 Ryd(3p)	0.002542956	1.329976378 Hartree
39	O2 Ryd(4p)	0.000376092	1.162142435 Hartree
40	O2 Ryd(5p)	0.000019518	4.724458314 Hartree
41	O2 Val(2p)	1.861627245	-0.345572050 Hartree
42	O2 Ryd(3p)	0.005140619	0.496422883 Hartree
43	O2 Ryd(4p)	0.000161232	0.893063817 Hartree
44	O2 Ryd(5p)	0.000025874	4.936344107 Hartree
45	O2 Ryd(3d)	0.001585522	2.164272790 Hartree
46	O2 Ryd(4d)	0.000078631	7.160600803 Hartree
47	O2 Ryd(3d)	0.001327611	1.807454353 Hartree
48	O2 Ryd(4d)	0.000024336	6.913844903 Hartree
49	O2 Ryd(3d)	0.000805636	1.763646901 Hartree
50	O2 Ryd(4d)	0.000028735	6.908422794 Hartree
51	O2 Ryd(3d)	0.003703291	2.339476877 Hartree
52	O2 Ryd(4d)	0.000037381	7.167963183 Hartree
53	O2 Ryd(3d)	0.001875408	1.958457722 Hartree
54	O2 Ryd(4d)	0.000007550	6.964396330 Hartree
55	C3 Cor(1s)	1.999985401	-10.254624040 Hartree
56	C3 Val(2s)	0.823359160	-0.085798051 Hartree
57	C3 Ryd(3s)	0.000979681	2.204301890 Hartree
58	C3 Ryd(4s)	0.000172724	8.788356897 Hartree
59	C3 Ryd(5s)	0.000026272	6.032112953 Hartree
60	C3 Val(2p)	0.783213118	-0.020269740 Hartree
61	C3 Ryd(3p)	0.007161853	1.263282450 Hartree
62	C3 Ryd(4p)	0.000400340	1.086643042 Hartree
63	C3 Ryd(5p)	0.000188179	3.430053858 Hartree
64	C3 Val(2p)	1.073360847	-0.059320655 Hartree
65	C3 Ryd(3p)	0.003126469	1.336772326 Hartree
66	C3 Ryd(4p)	0.000287120	1.928864592 Hartree
67	C3 Ryd(5p)	0.000281005	3.179890595 Hartree
68	C3 Val(2p)	1.043957856	-0.144059130 Hartree
69	C3 Ryd(3p)	0.000696488	0.693584967 Hartree
70	C3 Ryd(4p)	0.000159595	0.427559193 Hartree
71	C3 Ryd(5p)	0.000062055	2.531180299 Hartree
72	C3 Ryd(4d)	0.000809074	2.887745456 Hartree
73	C3 Ryd(3d)	0.000884615	3.727648176 Hartree
74	C3 Ryd(3d)	0.001480830	1.798015154 Hartree
75	C3 Ryd(4d)	0.000163554	2.825458377 Hartree
76	C3 Ryd(3d)	0.000575130	1.725995640 Hartree
77	C3 Ryd(4d)	0.000030489	2.824013494 Hartree
78	C3 Ryd(3d)	0.000993272	2.683561770 Hartree
79	C3 Ryd(4d)	0.000983434	3.782241475 Hartree
80	C3 Ryd(3d)	0.001003892	2.618969255 Hartree
81	C3 Ryd(4d)	0.000182564	3.405197811 Hartree
82	C4 Cor(1s)	1.999985299	-10.199936080 Hartree
83	C4 Val(2s)	0.937712929	-0.100680621 Hartree
84	C4 Ryd(3s)	0.000778697	3.830569438 Hartree
85	C4 Ryd(4s)	0.000107159	10.616213368 Hartree
86	C4 Ryd(5s)	0.000018020	11.022533456 Hartree
87	C4 Val(2p)	1.075412351	-0.043811706 Hartree
88	C4 Ryd(3p)	0.002493358	0.914577940 Hartree
89	C4 Ryd(4p)	0.000330914	1.567337900 Hartree
90	C4 Ryd(5p)	0.000197794	3.620507029 Hartree
91	C4 Val(2p)	1.171960966	-0.070257188 Hartree
92	C4 Ryd(3p)	0.004309599	1.437955642 Hartree
93	C4 Ryd(4p)	0.000602358	0.574190436 Hartree
94	C4 Ryd(5p)	0.000065619	3.769934402 Hartree
95	C4 Val(2p)	1.036840748	-0.136359359 Hartree
96	C4 Ryd(3p)	0.001474830	0.524904764 Hartree
97	C4 Ryd(4p)	0.000323370	0.333998414 Hartree
98	C4 Ryd(5p)	0.000031114	2.765471201 Hartree
99	C4 Ryd(3d)	0.001139846	2.456800713 Hartree
100	C4 Ryd(4d)	0.000345226	3.925382561 Hartree
101	C4 Ryd(3d)	0.000517098	1.223520182 Hartree
102	C4 Ryd(4d)	0.000091685	3.268291583 Hartree
103	C4 Ryd(3d)	0.000631172	1.248322857 Hartree
104	C4 Ryd(4d)	0.000030420	3.170675828 Hartree
105	C4 Ryd(3d)	0.000902562	2.354518548 Hartree
106	C4 Ryd(4d)	0.000589436	3.898809912 Hartree
107	C4 Ryd(3d)	0.001542599	1.988350645 Hartree
108	C4 Ryd(4d)	0.000017685	3.570541098 Hartree
109	C5 Cor(1s)	1.999986758	-10.189993215 Hartree
110	C5 Val(2s)	0.911594090	-0.078807665 Hartree
111	C5 Ryd(3s)	0.000968233	1.495618001 Hartree
112	C5 Ryd(4s)	0.000258876	8.813382849 Hartree
113	C5 Ryd(5s)	0.000011239	13.239115387 Hartree
114	C5 Val(2p)	1.079928046	-0.039551110 Hartree
115	C5 Ryd(3p)	0.006787222	1.277329473 Hartree
116	C5 Ryd(4p)	0.000327864	2.401391272 Hartree
117	C5 Ryd(5p)	0.000125667	3.533153665 Hartree
118	C5 Val(2p)	1.103794047	-0.042510899 Hartree
119	C5 Ryd(3p)	0.003729561	1.083611748 Hartree
120	C5 Ryd(4p)	0.000278933	2.216284505 Hartree
121	C5 Ryd(5p)	0.000087994	3.337024756 Hartree
122	C5 Val(2p)	1.070468017	-0.119862353 Hartree
123	C5 Ryd(3p)	0.000853843	0.566608509 Hartree
124	C5 Ryd(5p)	0.000040572	0.846398564 Hartree
125	C5 Ryd(4p)	0.000076977	2.283973160 Hartree
126	C5 Ryd(3d)	0.000816130	2.795299758 Hartree
127	C5 Ryd(4d)	0.000798977	3.669941801 Hartree
128	C5 Ryd(3d)	0.000387988	1.197127940 Hartree
129	C5 Ryd(4d)	0.000119757	3.441845401 Hartree
130	C5 Ryd(3d)	0.000284677	1.210168671 Hartree
131	C5 Ryd(4d)	0.000160158	3.444082804 Hartree
132	C5 Ryd(3d)	0.000765625	2.760359563 Hartree
133	C5 Ryd(4d)	0.000731829	3.655735881 Hartree
134	C5 Ryd(3d)	0.001111654	2.234993756 Hartree
135	C5 Ryd(4d)	0.000037099	3.703136712 Hartree
136	C6 Cor(1s)	1.999986029	-10.188665113 Hartree
137	C6 Val(2s)	0.943312358	-0.087729220 Hartree
138	C6 Ryd(3s)	0.000988362	1.787795292 Hartree
139	C6 Ryd(4s)	0.000058452	12.675727974 Hartree
140	C6 Ryd(5s)	0.000012988	6.559199762 Hartree
141	C6 Val(2p)	1.174502264	-0.051290413 Hartree
142	C6 Ryd(3p)	0.005721299	1.307718300 Hartree
143	C6 Ryd(4p)	0.000306441	0.626483575 Hartree
144	C6 Ryd(5p)	0.000056444	3.693833961 Hartree
145	C6 Val(2p)	1.059530409	-0.019940911 Hartree
146	C6 Ryd(3p)	0.004005470	0.879895275 Hartree
147	C6 Ryd(5p)	0.000142450	1.434721267 Hartree
148	C6 Ryd(4p)	0.000152754	3.453255583 Hartree
149	C6 Val(2p)	0.955082141	-0.115970929 Hartree
150	C6 Ryd(3p)	0.000927600	0.543045599 Hartree
151	C6 Ryd(4p)	0.000349523	0.302297705 Hartree
152	C6 Ryd(5p)	0.000019441	2.768561661 Hartree
153	C6 Ryd(3d)	0.001142025	2.285031765 Hartree
154	C6 Ryd(4d)	0.000390479	3.850651480 Hartree
155	C6 Ryd(3d)	0.000585290	1.252923133 Hartree
156	C6 Ryd(4d)	0.000032429	3.140516838 Hartree
157	C6 Ryd(3d)	0.000258245	1.250336601 Hartree
158	C6 Ryd(4d)	0.000146438	3.243996738 Hartree
159	C6 Ryd(3d)	0.000953224	2.257360711 Hartree
160	C6 Ryd(4d)	0.000584736	3.856678705 Hartree
161	C6 Ryd(3d)	0.001465125	1.859188071 Hartree
162	C6 Ryd(4d)	0.000025471	3.504790619 Hartree
163	C7 Cor(1s)	1.999986406	-10.188194586 Hartree
164	C7 Val(2s)	0.951569775	-0.099717792 Hartree
165	C7 Ryd(3s)	0.001103878	1.460155313 Hartree
166	C7 Ryd(4s)	0.000037003	17.765233981 Hartree
167	C7 Ryd(5s)	0.000020813	2.582523966 Hartree
168	C7 Val(2p)	1.054454068	-0.032216033 Hartree
169	C7 Ryd(3p)	0.003701886	0.853158302 Hartree
170	C7 Ryd(4p)	0.000154962	2.003105376 Hartree
171	C7 Ryd(5p)	0.000124437	3.309617086 Hartree
172	C7 Val(2p)	1.183911915	-0.064045918 Hartree
173	C7 Ryd(3p)	0.005591171	1.315916176 Hartree
174	C7 Ryd(4p)	0.000208071	0.568058527 Hartree
175	C7 Ryd(5p)	0.000058738	3.657458678 Hartree
176	C7 Val(2p)	1.036028439	-0.125067078 Hartree
177	C7 Ryd(3p)	0.001259922	0.553052918 Hartree
178	C7 Ryd(4p)	0.000358304	0.333390481 Hartree
179	C7 Ryd(5p)	0.000018763	2.700868948 Hartree
180	C7 Ryd(3d)	0.001056660	2.311852344 Hartree
181	C7 Ryd(4d)	0.000307337	3.847649257 Hartree
182	C7 Ryd(3d)	0.000433982	1.215793840 Hartree
183	C7 Ryd(4d)	0.000091564	3.274316375 Hartree
184	C7 Ryd(3d)	0.000713040	1.217191524 Hartree
185	C7 Ryd(4d)	0.000043122	3.184114986 Hartree
186	C7 Ryd(3d)	0.001147207	2.338618926 Hartree
187	C7 Ryd(4d)	0.000635329	3.876371730 Hartree
188	C7 Ryd(3d)	0.001518878	1.884741863 Hartree
189	C7 Ryd(4d)	0.000019763	3.525758195 Hartree
190	C8 Cor(1s)	1.999986162	-10.257407284 Hartree
191	C8 Val(2s)	0.831616119	-0.088865377 Hartree
192	C8 Ryd(3s)	0.001216156	1.462001461 Hartree
193	C8 Ryd(4s)	0.000220445	12.929381599 Hartree
194	C8 Ryd(5s)	0.000016166	3.976300407 Hartree
195	C8 Val(2p)	0.934761738	-0.045528091 Hartree
196	C8 Ryd(3p)	0.004254293	1.144786889 Hartree
197	C8 Ryd(5p)	0.000242722	1.563829341 Hartree
198	C8 Ryd(4p)	0.000249738	2.919759842 Hartree
199	C8 Val(2p)	0.926045898	-0.032968860 Hartree
200	C8 Ryd(3p)	0.007554558	1.297335511 Hartree
201	C8 Ryd(4p)	0.000401377	2.309903927 Hartree
202	C8 Ryd(5p)	0.000126412	2.495321359 Hartree
203	C8 Val(2p)	0.966295420	-0.136888420 Hartree
204	C8 Ryd(3p)	0.000549311	0.737325848 Hartree
205	C8 Ryd(4p)	0.000259389	0.875806943 Hartree
206	C8 Ryd(5p)	0.000040022	1.980961265 Hartree
207	C8 Ryd(4d)	0.000874977	2.495523284 Hartree
208	C8 Ryd(3d)	0.001120733	3.752591557 Hartree
209	C8 Ryd(3d)	0.001487800	1.691190361 Hartree
210	C8 Ryd(4d)	0.000062233	2.859932357 Hartree
211	C8 Ryd(3d)	0.000991849	1.692983107 Hartree
212	C8 Ryd(4d)	0.000110270	2.873326338 Hartree
213	C8 Ryd(3d)	0.001093182	2.762958506 Hartree
214	C8 Ryd(4d)	0.000598951	3.738875350 Hartree
215	C8 Ryd(3d)	0.001082687	2.497081738 Hartree
216	C8 Ryd(4d)	0.000187233	3.414320172 Hartree
217	O9 Cor(1s)	1.999995014	-19.173994004 Hartree
218	O9 Val(2s)	1.653911207	-0.754170313 Hartree
219	O9 Ryd(3s)	0.000190951	2.769021581 Hartree
220	O9 Ryd(4s)	0.000029410	2.468409547 Hartree
221	O9 Ryd(5s)	0.000000481	47.361659148 Hartree
222	O9 Val(2p)	1.436225300	-0.315479307 Hartree
223	O9 Ryd(3p)	0.002176247	0.699742014 Hartree
224	O9 Ryd(4p)	0.000193356	1.130305758 Hartree
225	O9 Ryd(5p)	0.000020253	5.541806250 Hartree
226	O9 Val(2p)	1.705937808	-0.341955830 Hartree
227	O9 Ryd(3p)	0.001526282	0.607273984 Hartree
228	O9 Ryd(4p)	0.000234968	1.089645069 Hartree
229	O9 Ryd(5p)	0.000022634	5.269431145 Hartree
230	O9 Val(2p)	1.852876051	-0.338195606 Hartree
231	O9 Ryd(3p)	0.003705714	0.439262112 Hartree
232	O9 Ryd(4p)	0.000050257	1.030156177 Hartree
233	O9 Ryd(5p)	0.000026035	4.861503856 Hartree
234	O9 Ryd(3d)	0.005812663	2.251893778 Hartree
235	O9 Ryd(4d)	0.000022013	7.022268544 Hartree
236	O9 Ryd(3d)	0.000165715	1.675575313 Hartree
237	O9 Ryd(4d)	0.000008014	6.845982643 Hartree
238	O9 Ryd(3d)	0.003486850	1.668525346 Hartree
239	O9 Ryd(4d)	0.000015161	6.835072193 Hartree
240	O9 Ryd(3d)	0.002334106	2.071397027 Hartree
241	O9 Ryd(4d)	0.000054413	7.100659747 Hartree
242	O9 Ryd(3d)	0.002669595	1.918158008 Hartree
243	O9 Ryd(4d)	0.000006767	6.918023904 Hartree
244	H10 Val(1s)	0.502333999	0.107341939 Hartree
245	H10 Ryd(2s)	0.000929093	1.801012480 Hartree
246	H10 Ryd(3s)	0.000144002	1.519649414 Hartree
247	H10 Ryd(2p)	0.000433740	2.711406099 Hartree
248	H10 Ryd(2p)	0.000451302	2.184239615 Hartree
249	H10 Ryd(2p)	0.000907938	1.757054491 Hartree
250	H11 Val(1s)	0.772948101	0.052095370 Hartree
251	H11 Ryd(2s)	0.001119296	0.705807269 Hartree
252	H11 Ryd(3s)	0.000149122	2.384057308 Hartree
253	H11 Ryd(2p)	0.000098044	2.301944627 Hartree
254	H11 Ryd(2p)	0.000748513	2.552726021 Hartree
255	H11 Ryd(2p)	0.000138208	1.812026733 Hartree
256	H12 Val(1s)	0.766413866	0.070297759 Hartree
257	H12 Ryd(2s)	0.001235777	0.911162943 Hartree
258	H12 Ryd(3s)	0.000193478	2.314404048 Hartree
259	H12 Ryd(2p)	0.000757510	2.554553569 Hartree
260	H12 Ryd(2p)	0.000134970	2.335137061 Hartree
261	H12 Ryd(2p)	0.000124848	1.819167109 Hartree
262	C13 Cor(1s)	1.999985147	-10.257396855 Hartree
263	C13 Val(2s)	0.908339921	-0.126831279 Hartree
264	C13 Ryd(3s)	0.008222604	0.941235730 Hartree
265	C13 Ryd(4s)	0.000079266	14.583341362 Hartree
266	C13 Ryd(5s)	0.000016799	3.547849600 Hartree
267	C13 Val(2p)	0.828385162	0.020971813 Hartree
268	C13 Ryd(3p)	0.014560899	1.161244312 Hartree
269	C13 Ryd(4p)	0.000207446	2.093363838 Hartree
270	C13 Ryd(5p)	0.000102950	2.668238487 Hartree
271	C13 Val(2p)	1.070984422	-0.061362350 Hartree
272	C13 Ryd(3p)	0.002142731	1.194082579 Hartree
273	C13 Ryd(5p)	0.000082129	1.819080872 Hartree
274	C13 Ryd(4p)	0.000110952	2.378568559 Hartree
275	C13 Val(2p)	0.735238707	-0.122817717 Hartree
276	C13 Ryd(3p)	0.000725803	0.799024075 Hartree
277	C13 Ryd(4p)	0.000140229	0.965587868 Hartree
278	C13 Ryd(5p)	0.000009979	1.726779900 Hartree
279	C13 Ryd(3d)	0.002646386	2.656114447 Hartree
280	C13 Ryd(4d)	0.000191174	3.118792918 Hartree
281	C13 Ryd(3d)	0.001516462	2.303672332 Hartree
282	C13 Ryd(4d)	0.000145271	2.186593402 Hartree
283	C13 Ryd(3d)	0.000194990	2.239563336 Hartree
284	C13 Ryd(4d)	0.000040262	2.032587217 Hartree
285	C13 Ryd(3d)	0.001105712	2.674045930 Hartree
286	C13 Ryd(4d)	0.000539289	3.143962050 Hartree
287	C13 Ryd(3d)	0.000550064	2.519453800 Hartree
288	C13 Ryd(4d)	0.000113570	2.621066778 Hartree
289	O14 Cor(1s)	1.999995320	-19.115570535 Hartree
290	O14 Val(2s)	1.703117996	-0.673369342 Hartree
291	O14 Ryd(3s)	0.000615779	2.701756114 Hartree
292	O14 Ryd(4s)	0.000048340	1.365432818 Hartree
293	O14 Ryd(5s)	0.000000393	47.854657600 Hartree
294	O14 Val(2p)	1.587675572	-0.276707701 Hartree
295	O14 Ryd(3p)	0.000575623	0.881232511 Hartree
296	O14 Ryd(4p)	0.000254302	1.320079426 Hartree
297	O14 Ryd(5p)	0.000031702	5.613987021 Hartree
298	O14 Val(2p)	1.861445635	-0.263671853 Hartree
299	O14 Ryd(3p)	0.003830389	0.680537002 Hartree
300	O14 Ryd(4p)	0.000037479	1.409353445 Hartree
301	O14 Ryd(5p)	0.000005352	4.937965719 Hartree
302	O14 Val(2p)	1.372682943	-0.250461265 Hartree
303	O14 Ryd(3p)	0.001045041	0.492837153 Hartree
304	O14 Ryd(4p)	0.000023512	1.185350979 Hartree
305	O14 Ryd(5p)	0.000012334	4.720513836 Hartree
306	O14 Ryd(3d)	0.004753264	2.005438101 Hartree
307	O14 Ryd(4d)	0.000057658	7.149610282 Hartree
308	O14 Ryd(3d)	0.004309860	1.834691785 Hartree
309	O14 Ryd(4d)	0.000007731	6.976917457 Hartree
310	O14 Ryd(3d)	0.000177200	1.624261279 Hartree
311	O14 Ryd(4d)	0.000001399	6.747461326 Hartree
312	O14 Ryd(3d)	0.005498321	2.132120782 Hartree
313	O14 Ryd(4d)	0.000012113	7.042530592 Hartree
314	O14 Ryd(3d)	0.001825514	1.859232431 Hartree
315	O14 Ryd(4d)	0.000001887	6.913903372 Hartree
316	H15 Val(1s)	0.894533387	-0.016857493 Hartree
317	H15 Ryd(2s)	0.002493726	0.548659271 Hartree
318	H15 Ryd(3s)	0.000076673	2.341867814 Hartree
319	H15 Ryd(2p)	0.000118917	2.234898948 Hartree
320	H15 Ryd(2p)	0.001102679	2.540927810 Hartree
321	H15 Ryd(2p)	0.000078784	1.745327554 Hartree
322	H16 Val(1s)	0.781699086	0.036177289 Hartree
323	H16 Ryd(2s)	0.001498236	0.981362373 Hartree
324	H16 Ryd(3s)	0.000192775	2.220464527 Hartree
325	H16 Ryd(2p)	0.000086411	2.316489777 Hartree
326	H16 Ryd(2p)	0.000781270	2.553988304 Hartree
327	H16 Ryd(2p)	0.000208634	1.801599850 Hartree
328	H17 Val(1s)	0.805111118	0.008189782 Hartree
329	H17 Ryd(2s)	0.000303087	0.498909514 Hartree
330	H17 Ryd(3s)	0.000019407	2.312263048 Hartree
331	H17 Ryd(2p)	0.000694560	2.553674277 Hartree
332	H17 Ryd(2p)	0.000025176	1.893423215 Hartree
333	H17 Ryd(2p)	0.000054316	1.798076597 Hartree
334	H18 Val(1s)	0.823325447	-0.003200368 Hartree
335	H18 Ryd(2s)	0.001306028	0.439711980 Hartree
336	H18 Ryd(3s)	0.000054703	2.325914311 Hartree
337	H18 Ryd(2p)	0.000120656	1.957113925 Hartree
338	H18 Ryd(2p)	0.000159554	2.128906857 Hartree
339	H18 Ryd(2p)	0.000424543	2.333068228 Hartree
340	H19 Val(1s)	0.823325447	-0.003200368 Hartree
341	H19 Ryd(2s)	0.001306028	0.439711980 Hartree
342	H19 Ryd(3s)	0.000054703	2.325914311 Hartree
343	H19 Ryd(2p)	0.000120656	1.957113925 Hartree
344	H19 Ryd(2p)	0.000159554	2.128906857 Hartree
345	H19 Ryd(2p)	0.000424543	2.333068227 Hartree

Natural Hybrid Orbitals

Display Range		- / 345
Orbital	Description	Occupancy	Energy	Actions
1	CR(1)C1 s(100.00%)	1.999986250	-10.248913975 Hartree
2	CR(1)O2 s(100.00%)	1.999995094	-19.186488780 Hartree
3	CR(1)C3 s(100.00%)	1.999985401	-10.254624040 Hartree
4	CR(1)C4 s(100.00%)	1.999985299	-10.199936080 Hartree
5	CR(1)C5 s(100.00%)	1.999986758	-10.189993215 Hartree
6	CR(1)C6 s(100.00%)	1.999986029	-10.188665113 Hartree
7	CR(1)C7 s(100.00%)	1.999986406	-10.188194586 Hartree
8	CR(1)C8 s(100.00%)	1.999986162	-10.257407284 Hartree
9	CR(1)O9 s(100.00%)	1.999995014	-19.173994004 Hartree
10	CR(1)C13 s(100.00%)	1.999985147	-10.257396855 Hartree
11	CR(1)O14 s(100.00%)	1.999995320	-19.115570535 Hartree
12	LP(1)O2 s(38.40%)p1.60(61.52%)d0.00(0.08%)	1.960470934	-0.522991281 Hartree
13	LP(2)O2 s(0.00%)p1.00(99.90%)d0.00(0.10%)	1.863658608	-0.347018522 Hartree
14	LP(1)O9 s(44.75%)p1.23(55.13%)d0.00(0.12%)	1.978801980	-0.541371428 Hartree
15	LP(2)O9 s(0.00%)p1.00(99.81%)d0.00(0.19%)	1.856970359	-0.340870954 Hartree
16	LP(1)O14 s(58.79%)p0.70(41.13%)d0.00(0.08%)	1.984833133	-0.562822507 Hartree
17	LP(2)O14 s(0.03%)p99.99(99.74%)d9.06(0.24%)	1.877931007	-0.267444243 Hartree
18	BD(1)C1(O2) 1s(21.00%)p3.75(78.81%)d0.01(0.20%)	0.619903119	-0.062063144 Hartree
19	BD(1)O2(C1) 2s(28.67%)p2.48(71.13%)d0.01(0.20%)	1.380740649	-0.444467531 Hartree
20	BD(1)C1(H17) 1s(25.76%)p2.88(74.15%)d0.00(0.10%)	1.194380087	-0.164473003 Hartree
21	BD(1)H17(C1) 17s(99.92%)p0.00(0.08%)	0.805755191	0.008767322 Hartree
22	BD(1)C1(H18) 1s(26.69%)p2.74(73.21%)d0.00(0.10%)	1.188983268	-0.170534715 Hartree
23	BD(1)H18(C1) 18s(99.94%)p0.00(0.06%)	0.823843823	-0.001201459 Hartree
24	BD(1)C1(H19) 1s(26.69%)p2.74(73.21%)d0.00(0.10%)	1.188983268	-0.170534715 Hartree
25	BD(1)H19(C1) 19s(99.94%)p0.00(0.06%)	0.823843823	-0.001201459 Hartree
26	BD(1)O2(C3) 2s(32.93%)p2.03(66.89%)d0.01(0.18%)	1.357212495	-0.449193443 Hartree
27	BD(1)C3(O2) 3s(24.82%)p3.02(75.04%)d0.01(0.14%)	0.661861809	-0.039573088 Hartree
28	BD(1)C3(C4) 3s(40.00%)p1.50(59.94%)d0.00(0.07%)	1.013104073	-0.051265385 Hartree
29	BD(1)C4(C3) 4s(34.97%)p1.86(64.90%)d0.00(0.13%)	0.987836472	-0.032377230 Hartree
30	BD(2)C3(C4) 3s(0.00%)p1.00(99.95%)d0.00(0.05%)	1.044419858	-0.144403081 Hartree
31	BD(2)C4(C3) 4s(0.00%)p1.00(99.94%)d0.00(0.06%)	1.037594319	-0.136849807 Hartree
32	BD(1)C3(C8) 3s(34.89%)p1.86(65.02%)d0.00(0.09%)	1.009882983	-0.060020352 Hartree
33	BD(1)C8(C3) 8s(35.92%)p1.78(64.00%)d0.00(0.08%)	0.998780063	-0.057682285 Hartree
34	BD(1)C4(C5) 4s(36.54%)p1.73(63.36%)d0.00(0.11%)	0.992382827	-0.025220148 Hartree
35	BD(1)C5(C4) 5s(34.16%)p1.93(65.76%)d0.00(0.08%)	0.998617108	-0.030578529 Hartree
36	BD(1)C4(H16) 4s(28.34%)p2.53(71.62%)d0.00(0.04%)	1.209644280	-0.138479394 Hartree
37	BD(1)H16(C4) 16s(99.92%)p0.00(0.08%)	0.782360331	0.039069128 Hartree
38	BD(1)C5(C6) 5s(35.10%)p1.85(64.83%)d0.00(0.07%)	1.023130338	-0.032103782 Hartree
39	BD(1)C6(C5) 6s(35.53%)p1.81(64.34%)d0.00(0.13%)	0.973070593	-0.005295529 Hartree
40	BD(2)C5(C6) 5s(0.00%)p1.00(99.99%)d0.00(0.01%)	1.070674149	-0.120819781 Hartree
41	BD(2)C6(C5) 6s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.955577328	-0.115545427 Hartree
42	BD(1)C5(C13) 5s(30.63%)p2.26(69.32%)d0.00(0.05%)	1.076393492	-0.086328085 Hartree
43	BD(1)C13(C5) 13s(37.64%)p1.65(62.27%)d0.00(0.10%)	0.964543597	-0.055132086 Hartree
44	BD(1)C6(C7) 6s(35.80%)p1.79(64.07%)d0.00(0.13%)	0.984115317	-0.012026447 Hartree
45	BD(1)C7(C6) 7s(36.98%)p1.70(62.89%)d0.00(0.13%)	1.001750623	-0.018366232 Hartree
46	BD(1)C6(H12) 6s(28.52%)p2.51(71.45%)d0.00(0.03%)	1.226435729	-0.124084058 Hartree
47	BD(1)H12(C6) 12s(99.92%)p0.00(0.08%)	0.767048309	0.072319922 Hartree
48	BD(1)C7(C8) 7s(34.23%)p1.92(65.63%)d0.00(0.14%)	0.976557330	-0.025880252 Hartree
49	BD(1)C8(C7) 8s(38.23%)p1.61(61.71%)d0.00(0.06%)	1.019959022	-0.052858016 Hartree
50	BD(2)C7(C8) 7s(0.00%)p1.00(99.92%)d0.00(0.08%)	1.037311857	-0.126124886 Hartree
51	BD(2)C8(C7) 8s(0.00%)p1.00(99.93%)d0.00(0.07%)	0.966845429	-0.137785169 Hartree
52	BD(1)C7(H11) 7s(28.63%)p2.49(71.33%)d0.00(0.04%)	1.218183116	-0.132641760 Hartree
53	BD(1)H11(C7) 11s(99.93%)p0.00(0.07%)	0.773561354	0.053692046 Hartree
54	BD(1)C8(O9) 8s(25.52%)p2.91(74.33%)d0.01(0.14%)	0.679438679	-0.044290332 Hartree
55	BD(1)O9(C8) 9s(34.00%)p1.93(65.75%)d0.01(0.24%)	1.332733578	-0.437076715 Hartree
56	BD(1)O9(H10) 9s(21.18%)p3.71(78.49%)d0.02(0.33%)	1.497073871	-0.433793540 Hartree
57	BD(1)H10(O9) 10s(99.91%)p0.00(0.09%)	0.502725956	0.116673921 Hartree
58	BD(1)C13(O14) 13s(32.77%)p2.05(67.10%)d0.00(0.14%)	0.695359652	0.079904476 Hartree
59	BD(1)O14(C13) 14s(41.16%)p1.42(58.38%)d0.01(0.46%)	1.302949799	-0.381333196 Hartree
60	BD(2)C13(O14) 13s(0.00%)p1.00(99.86%)d0.00(0.14%)	0.736233335	-0.122253607 Hartree
61	BD(2)O14(C13) 14s(0.00%)p1.00(99.67%)d0.00(0.33%)	1.377388055	-0.252109199 Hartree
62	BD(1)C13(H15) 13s(29.83%)p2.35(70.09%)d0.00(0.08%)	1.160318101	-0.151839256 Hartree
63	BD(1)H15(C13) 15s(99.90%)p0.00(0.10%)	0.895415410	-0.011598428 Hartree
64	RY(1)C1 s(24.66%)p2.20(54.28%)d0.85(21.06%)	0.002338004	1.361120755 Hartree
65	RY(2)C1 s(0.12%)p99.99(93.35%)d55.93(6.53%)	0.001279865	0.901674876 Hartree
66	RY(3)C1 s(0.00%)p1.00(19.26%)d4.19(80.74%)	0.001158285	1.494373557 Hartree
67	RY(4)C1 s(0.00%)p1.00(75.94%)d0.32(24.06%)	0.000215446	0.956124927 Hartree
68	RY(5)C1 s(2.81%)p15.01(42.20%)d19.56(54.99%)	0.000160715	2.057260291 Hartree
69	RY(6)C1 s(7.09%)p2.83(20.09%)d10.26(72.81%)	0.000110308	2.422884047 Hartree
70	RY(7)C1 s(1.54%)p24.85(38.15%)d39.29(60.32%)	0.000037146	1.743442964 Hartree
71	RY(8)C1 s(0.00%)p1.00(22.70%)d3.41(77.30%)	0.000031755	1.397988285 Hartree
72	RY(9)C1 s(42.08%)p0.30(12.56%)d1.08(45.35%)	0.000014261	1.433734372 Hartree
73	RY(10)C1 s(33.08%)p1.60(52.94%)d0.42(13.97%)	0.000008586	2.623525909 Hartree
74	RY(11)C1 s(49.86%)p0.63(31.42%)d0.38(18.72%)	0.000005136	2.425107039 Hartree
75	RY(12)C1 s(0.00%)p1.00(71.21%)d0.40(28.79%)	0.000003804	2.357484339 Hartree
76	RY(13)C1 s(11.15%)p3.88(43.27%)d4.09(45.58%)	0.000002605	2.443594908 Hartree
77	RY(14)C1 s(38.63%)p0.78(30.00%)d0.81(31.37%)	0.000002905	6.966575912 Hartree
78	RY(15)C1 s(0.00%)p1.00(90.61%)d0.10(9.39%)	0.000000203	1.461358405 Hartree
79	RY(16)C1 s(5.87%)p11.45(67.21%)d4.58(26.92%)	0.000001065	2.131810687 Hartree
80	RY(17)C1 s(0.00%)p1.00(1.50%)d65.73(98.50%)	0.000000000	3.426582837 Hartree
81	RY(18)C1 s(0.00%)p1.00(18.91%)d4.29(81.09%)	0.000000101	1.892532900 Hartree
82	RY(19)C1 s(13.12%)p4.28(56.20%)d2.34(30.69%)	0.000000805	3.536666139 Hartree
83	RY(20)C1 s(11.27%)p2.05(23.12%)d5.82(65.61%)	0.000000114	3.199746701 Hartree
84	RY(21)C1 s(58.34%)p0.40(23.12%)d0.32(18.54%)	0.000000491	10.812592281 Hartree
85	RY(22)C1 s(0.24%)p52.02(12.59%)d99.99(87.17%)	0.000000043	3.313036644 Hartree
86	RY(1)O2 s(0.00%)p1.00(97.82%)d0.02(2.18%)	0.005205873	0.504321195 Hartree
87	RY(2)O2 s(6.31%)p14.36(90.60%)d0.49(3.09%)	0.003522849	0.783968926 Hartree
88	RY(3)O2 s(9.69%)p7.38(71.52%)d1.94(18.79%)	0.000879932	1.461537082 Hartree
89	RY(4)O2 s(8.53%)p10.08(86.03%)d0.64(5.43%)	0.000412454	1.444273674 Hartree
90	RY(5)O2 s(42.04%)p0.35(14.60%)d1.03(43.36%)	0.000190350	2.416565307 Hartree
91	RY(6)O2 s(0.00%)p1.00(12.94%)d6.73(87.06%)	0.000169303	3.151568106 Hartree
92	RY(7)O2 s(1.24%)p64.68(79.89%)d15.28(18.87%)	0.000169215	2.076948062 Hartree
93	RY(8)O2 s(6.33%)p1.12(7.11%)d13.69(86.57%)	0.000089730	2.770970148 Hartree
94	RY(9)O2 s(0.00%)p1.00(71.83%)d0.39(28.17%)	0.000085314	1.210386521 Hartree
95	RY(10)O2 s(35.04%)p0.53(18.66%)d1.32(46.30%)	0.000042092	1.952065140 Hartree
96	RY(11)O2 s(0.00%)p1.00(13.27%)d6.54(86.73%)	0.000021870	1.710028792 Hartree
97	RY(12)O2 s(66.71%)p0.20(13.54%)d0.30(19.75%)	0.000017629	1.661635830 Hartree
98	RY(13)O2 s(10.56%)p1.65(17.38%)d6.82(72.06%)	0.000010377	2.364665217 Hartree
99	RY(14)O2 s(1.26%)p23.18(29.18%)d55.25(69.56%)	0.000004566	5.599739705 Hartree
100	RY(15)O2 s(1.72%)p53.83(92.41%)d3.42(5.87%)	0.000002117	4.970959505 Hartree
101	RY(16)O2 s(7.23%)p0.90(6.51%)d11.94(86.26%)	0.000000445	6.676856691 Hartree
102	RY(17)O2 s(0.00%)p1.00(1.69%)d58.29(98.31%)	0.000000307	6.075314468 Hartree
103	RY(18)O2 s(5.96%)p11.82(70.49%)d3.95(23.54%)	0.000001052	6.017427610 Hartree
104	RY(19)O2 s(0.00%)p1.00(8.15%)d11.26(91.85%)	0.000000014	6.046212397 Hartree
105	RY(20)O2 s(0.00%)p1.00(94.39%)d0.06(5.61%)	0.000000000	5.022814751 Hartree
106	RY(21)O2 s(96.57%)p0.01(0.93%)d0.03(2.50%)	0.000000013	47.721888029 Hartree
107	RY(22)O2 s(0.83%)p1.91(1.59%)d99.99(97.58%)	0.000000054	6.749169725 Hartree
108	RY(1)C3 s(0.60%)p99.99(91.00%)d14.02(8.40%)	0.005481453	1.376792983 Hartree
109	RY(2)C3 s(0.05%)p99.99(87.76%)d99.99(12.20%)	0.003637434	1.572983499 Hartree
110	RY(3)C3 s(32.46%)p0.43(14.08%)d1.65(53.46%)	0.001517570	2.592084437 Hartree
111	RY(4)C3 s(0.00%)p1.00(4.32%)d22.14(95.68%)	0.001427206	1.855467652 Hartree
112	RY(5)C3 s(27.45%)p0.48(13.28%)d2.16(59.27%)	0.000812836	2.602444477 Hartree
113	RY(6)C3 s(0.00%)p1.00(38.07%)d1.63(61.93%)	0.000805181	1.404742036 Hartree
114	RY(7)C3 s(18.61%)p0.72(13.35%)d3.66(68.04%)	0.000399717	3.991914879 Hartree
115	RY(8)C3 s(0.00%)p1.00(63.84%)d0.57(36.16%)	0.000331509	1.123372550 Hartree
116	RY(9)C3 s(5.92%)p11.16(66.04%)d4.74(28.04%)	0.000271585	2.504886955 Hartree
117	RY(10)C3 s(11.49%)p6.09(70.01%)d1.61(18.50%)	0.000144340	3.027973666 Hartree
118	RY(11)C3 s(37.65%)p1.02(38.37%)d0.64(23.98%)	0.000109658	3.603125397 Hartree
119	RY(12)C3 s(0.00%)p1.00(1.17%)d84.30(98.83%)	0.000092296	2.320953560 Hartree
120	RY(13)C3 s(28.40%)p0.73(20.59%)d1.80(51.01%)	0.000065870	5.826447874 Hartree
121	RY(14)C3 s(0.00%)p1.00(58.06%)d0.72(41.94%)	0.000047660	1.269773370 Hartree
122	RY(15)C3 s(17.76%)p2.34(41.64%)d2.29(40.60%)	0.000045364	2.641326798 Hartree
123	RY(16)C3 s(11.79%)p3.73(43.93%)d3.76(44.28%)	0.000038152	2.898488307 Hartree
124	RY(17)C3 s(51.78%)p0.48(25.06%)d0.45(23.16%)	0.000019812	5.476550754 Hartree
125	RY(18)C3 s(16.64%)p1.29(21.43%)d3.72(61.92%)	0.000012288	3.587168868 Hartree
126	RY(19)C3 s(35.76%)p1.35(48.30%)d0.45(15.94%)	0.000006667	3.176262893 Hartree
127	RY(20)C3 s(0.00%)p1.00(37.37%)d1.68(62.63%)	0.000002287	2.157279687 Hartree
128	RY(21)C3 s(3.95%)p1.30(5.14%)d23.02(90.91%)	0.000002005	3.462661139 Hartree
129	RY(22)C3 s(0.00%)p1.00(97.22%)d0.03(2.78%)	0.000000000	2.694562222 Hartree
130	RY(1)C4 s(0.88%)p94.06(83.15%)d18.06(15.97%)	0.004686260	1.557011477 Hartree
131	RY(2)C4 s(2.39%)p36.35(87.04%)d4.41(10.57%)	0.002035232	1.092625087 Hartree
132	RY(3)C4 s(0.00%)p1.00(92.43%)d0.08(7.57%)	0.001310387	0.381947102 Hartree
133	RY(4)C4 s(0.00%)p1.00(1.72%)d57.22(98.28%)	0.000852845	1.717680383 Hartree
134	RY(5)C4 s(20.75%)p1.14(23.72%)d2.68(55.53%)	0.000690722	4.041885901 Hartree
135	RY(6)C4 s(10.96%)p7.10(77.76%)d1.03(11.28%)	0.000346235	1.365889150 Hartree
136	RY(7)C4 s(7.48%)p7.87(58.81%)d4.51(33.71%)	0.000303023	1.886263903 Hartree
137	RY(8)C4 s(4.61%)p15.64(72.13%)d5.04(23.26%)	0.000244821	3.514009631 Hartree
138	RY(9)C4 s(0.00%)p1.00(7.48%)d12.37(92.52%)	0.000160784	1.125093673 Hartree
139	RY(10)C4 s(33.79%)p0.46(15.55%)d1.50(50.66%)	0.000154977	5.345769320 Hartree
140	RY(11)C4 s(14.75%)p2.40(35.45%)d3.38(49.80%)	0.000075538	3.044650616 Hartree
141	RY(12)C4 s(32.99%)p0.41(13.62%)d1.62(53.39%)	0.000059657	2.089806308 Hartree
142	RY(13)C4 s(7.44%)p7.27(54.06%)d5.17(38.50%)	0.000034933	4.511263492 Hartree
143	RY(14)C4 s(0.00%)p1.00(42.57%)d1.35(57.43%)	0.000016232	1.820474585 Hartree
144	RY(15)C4 s(3.82%)p10.13(38.74%)d15.02(57.43%)	0.000011288	3.327573223 Hartree
145	RY(16)C4 s(38.51%)p0.53(20.49%)d1.06(41.00%)	0.000008732	5.709839384 Hartree
146	RY(17)C4 s(84.01%)p0.05(3.79%)d0.15(12.21%)	0.000006304	7.865280454 Hartree
147	RY(18)C4 s(0.00%)p1.00(64.58%)d0.55(35.42%)	0.000005788	1.545473897 Hartree
148	RY(19)C4 s(31.41%)p0.39(12.33%)d1.79(56.26%)	0.000003454	5.891863295 Hartree
149	RY(20)C4 s(6.37%)p0.55(3.49%)d14.16(90.15%)	0.000002361	4.285819103 Hartree
150	RY(21)C4 s(0.00%)p1.00(45.25%)d1.21(54.75%)	0.000000082	2.897725567 Hartree
151	RY(22)C4 s(0.00%)p1.00(46.03%)d1.17(53.97%)	0.000000000	3.047280070 Hartree
152	RY(1)C5 s(1.86%)p47.75(88.85%)d4.99(9.29%)	0.007953152	1.308636381 Hartree
153	RY(2)C5 s(1.85%)p43.56(80.61%)d9.48(17.54%)	0.003557286	1.609393619 Hartree
154	RY(3)C5 s(0.00%)p1.00(74.36%)d0.34(25.64%)	0.000842689	0.728714883 Hartree
155	RY(4)C5 s(72.55%)p0.12(8.51%)d0.26(18.94%)	0.000810711	1.321811198 Hartree
156	RY(5)C5 s(12.19%)p2.76(33.68%)d4.44(54.13%)	0.000573384	3.355719845 Hartree
157	RY(6)C5 s(0.00%)p1.00(4.19%)d22.85(95.81%)	0.000533593	2.252405760 Hartree
158	RY(7)C5 s(8.99%)p4.57(41.06%)d5.56(49.95%)	0.000396959	3.459961613 Hartree
159	RY(8)C5 s(0.00%)p1.00(19.30%)d4.18(80.70%)	0.000327274	1.646472215 Hartree
160	RY(9)C5 s(1.26%)p55.64(70.36%)d22.43(28.37%)	0.000269142	2.926694245 Hartree
161	RY(10)C5 s(56.52%)p0.15(8.32%)d0.62(35.17%)	0.000169041	5.065399994 Hartree
162	RY(11)C5 s(13.85%)p1.16(16.01%)d5.06(70.14%)	0.000139726	4.692587513 Hartree
163	RY(12)C5 s(3.95%)p10.67(42.19%)d13.63(53.86%)	0.000079022	3.512524074 Hartree
164	RY(13)C5 s(1.52%)p46.71(70.87%)d18.20(27.61%)	0.000027538	2.036713640 Hartree
165	RY(14)C5 s(18.22%)p2.64(48.09%)d1.85(33.69%)	0.000018706	2.698261269 Hartree
166	RY(15)C5 s(0.00%)p1.00(42.95%)d1.33(57.05%)	0.000010405	1.541729219 Hartree
167	RY(16)C5 s(16.99%)p1.54(26.10%)d3.35(56.91%)	0.000009319	3.280739288 Hartree
168	RY(17)C5 s(0.00%)p1.00(37.73%)d1.65(62.27%)	0.000003020	1.996454081 Hartree
169	RY(18)C5 s(3.41%)p13.15(44.80%)d15.20(51.79%)	0.000003941	4.076157908 Hartree
170	RY(19)C5 s(28.11%)p0.69(19.29%)d1.87(52.60%)	0.000002952	6.984157761 Hartree
171	RY(20)C5 s(0.00%)p1.00(27.52%)d2.63(72.48%)	0.000000859	2.027665467 Hartree
172	RY(21)C5 s(58.85%)p0.02(1.34%)d0.68(39.81%)	0.000001270	9.875761501 Hartree
173	RY(22)C5 s(0.00%)p1.00(93.95%)d0.06(6.05%)	0.000000000	2.797720851 Hartree
174	RY(1)C6 s(0.75%)p99.99(86.98%)d16.38(12.27%)	0.005729712	1.457663368 Hartree
175	RY(2)C6 s(0.31%)p99.99(93.12%)d20.85(6.57%)	0.002614965	0.971039341 Hartree
176	RY(3)C6 s(0.00%)p1.00(73.91%)d0.35(26.09%)	0.001295869	0.786713269 Hartree
177	RY(4)C6 s(0.00%)p1.00(5.96%)d15.79(94.04%)	0.000476141	1.734365783 Hartree
178	RY(5)C6 s(18.10%)p0.94(16.95%)d3.59(64.96%)	0.000386446	3.259229205 Hartree
179	RY(6)C6 s(0.75%)p35.33(26.67%)d96.15(72.57%)	0.000324654	2.688761656 Hartree
180	RY(7)C6 s(28.98%)p1.81(52.46%)d0.64(18.56%)	0.000258425	2.700778655 Hartree
181	RY(8)C6 s(32.33%)p1.40(45.19%)d0.70(22.48%)	0.000166216	1.946223094 Hartree
182	RY(9)C6 s(10.80%)p1.44(15.50%)d6.83(73.71%)	0.000136264	2.773719167 Hartree
183	RY(10)C6 s(22.13%)p0.36(7.92%)d3.16(69.95%)	0.000055933	4.527121154 Hartree
184	RY(11)C6 s(0.00%)p1.00(43.19%)d1.32(56.81%)	0.000050007	1.509392403 Hartree
185	RY(12)C6 s(0.86%)p95.27(81.91%)d20.03(17.23%)	0.000029224	2.097182045 Hartree
186	RY(13)C6 s(34.41%)p0.67(22.99%)d1.24(42.61%)	0.000010691	6.006897262 Hartree
187	RY(14)C6 s(33.08%)p1.43(47.30%)d0.59(19.61%)	0.000007716	7.584262705 Hartree
188	RY(15)C6 s(35.61%)p1.09(38.82%)d0.72(25.57%)	0.000004488	4.032774247 Hartree
189	RY(16)C6 s(0.00%)p1.00(10.21%)d8.79(89.79%)	0.000001403	1.622163396 Hartree
190	RY(17)C6 s(38.96%)p0.66(25.74%)d0.91(35.30%)	0.000002081	2.975095171 Hartree
191	RY(18)C6 s(0.00%)p1.00(59.58%)d0.68(40.42%)	0.000000043	1.169232079 Hartree
192	RY(19)C6 s(0.00%)p1.00(27.09%)d2.69(72.91%)	0.000000316	3.008722915 Hartree
193	RY(20)C6 s(15.64%)p2.13(33.27%)d3.27(51.09%)	0.000000734	3.323607592 Hartree
194	RY(21)C6 s(27.44%)p0.19(5.33%)d2.45(67.23%)	0.000001566	3.670423168 Hartree
195	RY(22)C6 s(0.00%)p1.00(80.11%)d0.25(19.89%)	0.000000000	2.670662927 Hartree
196	RY(1)C7 s(1.78%)p46.76(83.10%)d8.51(15.13%)	0.005777797	1.426351101 Hartree
197	RY(2)C7 s(0.26%)p99.99(91.33%)d32.23(8.41%)	0.002138807	1.064886563 Hartree
198	RY(3)C7 s(0.00%)p1.00(95.90%)d0.04(4.10%)	0.000854858	0.359581445 Hartree
199	RY(4)C7 s(34.83%)p0.38(13.17%)d1.49(52.00%)	0.000587814	2.361526332 Hartree
200	RY(5)C7 s(0.00%)p1.00(2.37%)d41.11(97.63%)	0.000563295	1.907004582 Hartree
201	RY(6)C7 s(4.05%)p12.65(51.27%)d11.02(44.67%)	0.000226440	4.327043879 Hartree
202	RY(7)C7 s(0.00%)p1.00(9.82%)d9.18(90.18%)	0.000200801	1.263430129 Hartree
203	RY(8)C7 s(30.85%)p0.81(25.02%)d1.43(44.12%)	0.000168204	2.197348783 Hartree
204	RY(9)C7 s(16.58%)p2.03(33.59%)d3.01(49.83%)	0.000078540	3.046847996 Hartree
205	RY(10)C7 s(1.31%)p29.83(39.10%)d45.45(59.59%)	0.000059348	2.298089776 Hartree
206	RY(11)C7 s(14.46%)p2.48(35.89%)d3.43(49.65%)	0.000037149	2.692373301 Hartree
207	RY(12)C7 s(15.05%)p3.56(53.61%)d2.08(31.33%)	0.000019826	3.709195773 Hartree
208	RY(13)C7 s(0.00%)p1.00(33.71%)d1.97(66.29%)	0.000015821	1.632889008 Hartree
209	RY(14)C7 s(83.46%)p0.13(10.59%)d0.07(5.95%)	0.000013751	10.280232862 Hartree
210	RY(15)C7 s(77.10%)p0.11(8.32%)d0.19(14.58%)	0.000010868	6.408433224 Hartree
211	RY(16)C7 s(3.48%)p13.42(46.70%)d14.32(49.82%)	0.000005175	3.335246842 Hartree
212	RY(17)C7 s(6.31%)p11.22(70.76%)d3.64(22.93%)	0.000004438	1.516363341 Hartree
213	RY(18)C7 s(4.65%)p2.14(9.96%)d18.36(85.39%)	0.000001901	3.425570757 Hartree
214	RY(19)C7 s(0.00%)p1.00(1.14%)d86.59(98.86%)	0.000000000	3.357907800 Hartree
215	RY(20)C7 s(0.00%)p1.00(61.95%)d0.61(38.05%)	0.000000426	1.383536369 Hartree
216	RY(21)C7 s(5.99%)p4.63(27.71%)d11.07(66.30%)	0.000000762	3.191617692 Hartree
217	RY(22)C7 s(0.00%)p1.00(95.18%)d0.05(4.82%)	0.000000079	2.575437546 Hartree
218	RY(1)C8 s(1.80%)p51.95(93.32%)d2.72(4.89%)	0.006209936	1.151696767 Hartree
219	RY(2)C8 s(6.12%)p13.28(81.28%)d2.06(12.60%)	0.003560968	1.394034222 Hartree
220	RY(3)C8 s(0.00%)p1.00(3.43%)d28.16(96.57%)	0.001979414	1.663562098 Hartree
221	RY(4)C8 s(15.61%)p1.41(22.02%)d3.99(62.37%)	0.001768469	2.718240170 Hartree
222	RY(5)C8 s(0.00%)p1.00(19.77%)d4.06(80.23%)	0.000703081	1.728406200 Hartree
223	RY(6)C8 s(33.06%)p0.57(18.85%)d1.45(48.09%)	0.000668878	2.276862115 Hartree
224	RY(7)C8 s(7.44%)p3.46(25.72%)d8.98(66.83%)	0.000519043	3.275097637 Hartree
225	RY(8)C8 s(28.56%)p1.59(45.47%)d0.91(25.98%)	0.000357159	5.966109350 Hartree
226	RY(9)C8 s(9.96%)p1.53(15.21%)d7.51(74.82%)	0.000228483	3.346310760 Hartree
227	RY(10)C8 s(0.00%)p1.00(80.09%)d0.25(19.91%)	0.000213142	1.035927582 Hartree
228	RY(11)C8 s(1.95%)p37.20(72.52%)d13.09(25.53%)	0.000063912	2.368793424 Hartree
229	RY(12)C8 s(0.00%)p1.00(33.82%)d1.96(66.18%)	0.000049874	2.059455634 Hartree
230	RY(13)C8 s(60.26%)p0.63(38.14%)d0.03(1.60%)	0.000040754	5.073286358 Hartree
231	RY(14)C8 s(30.89%)p1.01(31.17%)d1.23(37.94%)	0.000033027	2.937589889 Hartree
232	RY(15)C8 s(7.49%)p7.54(56.45%)d4.82(36.06%)	0.000015681	2.852833279 Hartree
233	RY(16)C8 s(6.18%)p5.96(36.84%)d9.22(56.98%)	0.000011211	3.071178168 Hartree
234	RY(17)C8 s(75.00%)p0.24(17.90%)d0.09(7.10%)	0.000004106	5.085447919 Hartree
235	RY(18)C8 s(0.00%)p1.00(71.22%)d0.40(28.78%)	0.000004388	1.640351436 Hartree
236	RY(19)C8 s(14.55%)p1.41(20.47%)d4.47(64.98%)	0.000002926	4.054132218 Hartree
237	RY(20)C8 s(0.00%)p1.00(69.48%)d0.44(30.52%)	0.000000964	2.160979120 Hartree
238	RY(21)C8 s(1.46%)p16.82(24.59%)d50.58(73.95%)	0.000001069	3.175826973 Hartree
239	RY(22)C8 s(0.00%)p1.00(22.26%)d3.49(77.74%)	0.000000000	2.423740898 Hartree
240	RY(1)O9 s(0.00%)p1.00(94.92%)d0.05(5.08%)	0.003262723	0.514181447 Hartree
241	RY(2)O9 s(2.15%)p44.35(95.54%)d1.07(2.31%)	0.001911417	0.939273438 Hartree
242	RY(3)O9 s(0.97%)p81.81(79.60%)d19.96(19.43%)	0.000413595	0.842441553 Hartree
243	RY(4)O9 s(33.06%)p1.27(42.12%)d0.75(24.82%)	0.000194427	1.978545159 Hartree
244	RY(5)O9 s(5.44%)p1.31(7.12%)d16.08(87.44%)	0.000120296	2.161648054 Hartree
245	RY(6)O9 s(3.43%)p17.20(58.93%)d10.99(37.65%)	0.000069563	2.099340469 Hartree
246	RY(7)O9 s(0.00%)p1.00(13.35%)d6.49(86.65%)	0.000054954	1.471312041 Hartree
247	RY(8)O9 s(0.00%)p1.00(72.03%)d0.39(27.97%)	0.000045029	1.311776195 Hartree
248	RY(9)O9 s(24.80%)p1.74(43.18%)d1.29(32.02%)	0.000027145	1.584176722 Hartree
249	RY(10)O9 s(13.83%)p1.76(24.30%)d4.47(61.87%)	0.000009522	1.765701601 Hartree
250	RY(11)O9 s(20.78%)p3.00(62.30%)d0.81(16.92%)	0.000005999	2.686187900 Hartree
251	RY(12)O9 s(70.11%)p0.10(7.04%)d0.33(22.85%)	0.000004355	2.270935393 Hartree
252	RY(13)O9 s(2.70%)p22.39(60.47%)d13.64(36.83%)	0.000001003	6.012233743 Hartree
253	RY(14)O9 s(0.00%)p1.00(92.88%)d0.08(7.12%)	0.000000005	4.790199335 Hartree
254	RY(15)O9 s(79.37%)p0.04(3.36%)d0.22(17.28%)	0.000000068	40.350149234 Hartree
255	RY(16)O9 s(0.89%)p3.20(2.86%)d99.99(96.25%)	0.000000280	6.796854335 Hartree
256	RY(17)O9 s(0.00%)p1.00(15.37%)d5.51(84.63%)	0.000000433	2.972301611 Hartree
257	RY(18)O9 s(0.00%)p1.00(11.52%)d7.68(88.48%)	0.000000295	5.563453936 Hartree
258	RY(19)O9 s(0.00%)p1.00(0.11%)d99.99(99.89%)	0.000000000	6.735528421 Hartree
259	RY(20)O9 s(22.53%)p3.35(75.40%)d0.09(2.07%)	0.000000484	3.957196718 Hartree
260	RY(21)O9 s(6.14%)p5.61(34.41%)d9.68(59.45%)	0.000000857	8.358260073 Hartree
261	RY(22)O9 s(13.86%)p0.29(3.99%)d5.93(82.15%)	0.000000015	12.417387343 Hartree
262	RY(1)H10 s(84.60%)p0.18(15.40%)	0.001076367	1.736091875 Hartree
263	RY(2)H10 s(0.00%)p1.00(100.00%)	0.000907938	1.757054491 Hartree
264	RY(3)H10 s(20.30%)p3.93(79.70%)	0.000317723	2.066280405 Hartree
265	RY(4)H10 s(67.05%)p0.49(32.95%)	0.000165074	2.124610250 Hartree
266	RY(5)H10 s(28.13%)p2.55(71.87%)	0.000007014	2.279993095 Hartree
267	RY(1)H11 s(96.65%)p0.03(3.35%)	0.001154279	0.807033909 Hartree
268	RY(2)H11 s(57.73%)p0.73(42.27%)	0.000241331	2.682912722 Hartree
269	RY(3)H11 s(0.00%)p1.00(100.00%)	0.000138208	1.812026733 Hartree
270	RY(4)H11 s(0.43%)p99.99(99.57%)	0.000072239	2.288642274 Hartree
271	RY(5)H11 s(45.26%)p1.21(54.74%)	0.000033874	2.164349643 Hartree
272	RY(1)H12 s(98.07%)p0.02(1.93%)	0.001261025	0.944663083 Hartree
273	RY(2)H12 s(56.38%)p0.77(43.62%)	0.000323034	2.730290707 Hartree
274	RY(3)H12 s(0.00%)p1.00(100.00%)	0.000124848	1.819167109 Hartree
275	RY(4)H12 s(2.09%)p46.86(97.91%)	0.000073286	2.297544282 Hartree
276	RY(5)H12 s(43.54%)p1.30(56.46%)	0.000029948	2.140737385 Hartree
277	RY(1)C13 s(15.67%)p5.35(83.77%)d0.04(0.56%)	0.011485752	1.087863114 Hartree
278	RY(2)C13 s(37.13%)p0.39(14.40%)d1.31(48.46%)	0.003997712	1.870433021 Hartree
279	RY(3)C13 s(4.47%)p15.64(69.96%)d5.72(25.57%)	0.001920213	1.450003061 Hartree
280	RY(4)C13 s(0.00%)p1.00(0.17%)d99.99(99.83%)	0.001504381	1.703315090 Hartree
281	RY(5)C13 s(1.41%)p10.10(14.21%)d59.96(84.38%)	0.000280703	2.585722528 Hartree
282	RY(6)C13 s(7.01%)p3.69(25.85%)d9.57(67.14%)	0.000237033	2.744497428 Hartree
283	RY(7)C13 s(0.00%)p1.00(87.63%)d0.14(12.37%)	0.000213019	0.546530671 Hartree
284	RY(8)C13 s(23.79%)p1.32(31.37%)d1.89(44.84%)	0.000177314	1.391282986 Hartree
285	RY(9)C13 s(0.00%)p1.00(12.81%)d6.81(87.19%)	0.000058395	1.051796876 Hartree
286	RY(10)C13 s(60.64%)p0.31(18.65%)d0.34(20.71%)	0.000021833	1.818472203 Hartree
287	RY(11)C13 s(38.16%)p1.03(39.14%)d0.59(22.70%)	0.000014678	8.778585967 Hartree
288	RY(12)C13 s(24.51%)p1.94(47.65%)d1.14(27.85%)	0.000009134	5.904992570 Hartree
289	RY(13)C13 s(19.08%)p2.67(50.94%)d1.57(29.98%)	0.000006194	2.780361613 Hartree
290	RY(14)C13 s(1.55%)p11.37(17.65%)d52.07(80.80%)	0.000004617	3.255714432 Hartree
291	RY(15)C13 s(0.00%)p1.00(93.97%)d0.06(6.03%)	0.000002335	0.419599634 Hartree
292	RY(16)C13 s(52.82%)p0.51(26.86%)d0.38(20.32%)	0.000002717	5.156779004 Hartree
293	RY(17)C13 s(5.14%)p14.62(75.12%)d3.84(19.74%)	0.000000289	1.420665626 Hartree
294	RY(18)C13 s(0.00%)p1.00(11.29%)d7.86(88.71%)	0.000000235	2.665995760 Hartree
295	RY(19)C13 s(0.00%)p1.00(5.63%)d16.76(94.37%)	0.000000000	3.163199402 Hartree
296	RY(20)C13 s(1.11%)p15.56(17.22%)d73.83(81.68%)	0.000000593	3.001110574 Hartree
297	RY(21)C13 s(7.29%)p9.29(67.76%)d3.42(24.95%)	0.000001344	3.833802185 Hartree
298	RY(22)C13 s(0.00%)p1.00(88.64%)d0.13(11.36%)	0.000000001	2.702806586 Hartree
299	RY(1)O14 s(0.03%)p99.99(98.29%)d63.97(1.68%)	0.003486666	0.851558785 Hartree
300	RY(2)O14 s(0.00%)p1.00(96.12%)d0.04(3.88%)	0.000851181	0.587937722 Hartree
301	RY(3)O14 s(32.72%)p2.02(66.02%)d0.04(1.25%)	0.000464517	1.066043472 Hartree
302	RY(4)O14 s(7.71%)p1.67(12.88%)d10.30(79.40%)	0.000078149	2.442909322 Hartree
303	RY(5)O14 s(2.09%)p20.73(43.28%)d26.16(54.63%)	0.000018595	1.774826145 Hartree
304	RY(6)O14 s(0.00%)p1.00(81.26%)d0.23(18.74%)	0.000016482	1.024198928 Hartree
305	RY(7)O14 s(43.87%)p0.90(39.68%)d0.37(16.45%)	0.000010095	2.425373693 Hartree
306	RY(8)O14 s(19.36%)p1.39(26.87%)d2.78(53.77%)	0.000006578	1.800988250 Hartree
307	RY(9)O14 s(8.56%)p10.39(88.94%)d0.29(2.50%)	0.000004533	3.671745948 Hartree
308	RY(10)O14 s(0.00%)p1.00(20.59%)d3.86(79.41%)	0.000004283	1.563115747 Hartree
309	RY(11)O14 s(66.07%)p0.39(25.62%)d0.13(8.31%)	0.000001676	2.597383535 Hartree
310	RY(12)O14 s(5.97%)p8.78(52.46%)d6.96(41.57%)	0.000000892	3.754991199 Hartree
311	RY(13)O14 s(15.48%)p3.73(57.75%)d1.73(26.76%)	0.000000319	8.791952285 Hartree
312	RY(14)O14 s(18.93%)p2.45(46.44%)d1.83(34.63%)	0.000001206	6.063211801 Hartree
313	RY(15)O14 s(0.00%)p1.00(98.39%)d0.02(1.61%)	0.000000013	5.017459178 Hartree
314	RY(16)O14 s(56.11%)p0.34(18.89%)d0.45(25.00%)	0.000000024	29.095204556 Hartree
315	RY(17)O14 s(0.46%)p5.51(2.56%)d99.99(96.98%)	0.000000094	6.769273927 Hartree
316	RY(18)O14 s(0.00%)p1.00(1.79%)d54.88(98.21%)	0.000000005	1.900535240 Hartree
317	RY(19)O14 s(0.00%)p1.00(0.51%)d99.99(99.49%)	0.000000000	6.752012225 Hartree
318	RY(20)O14 s(0.00%)p1.00(1.66%)d59.14(98.34%)	0.000000000	6.738422711 Hartree
319	RY(21)O14 s(22.51%)p0.81(18.21%)d2.63(59.29%)	0.000000034	15.915031857 Hartree
320	RY(22)O14 s(0.15%)p19.05(2.85%)d99.99(97.01%)	0.000000004	6.845193492 Hartree
321	RY(1)H15 s(97.82%)p0.02(2.18%)	0.002635347	0.590472427 Hartree
322	RY(2)H15 s(21.26%)p3.70(78.74%)	0.000168013	2.568810363 Hartree
323	RY(3)H15 s(0.00%)p1.00(100.00%)	0.000078784	1.745327554 Hartree
324	RY(4)H15 s(47.44%)p1.11(52.56%)	0.000061818	2.257809275 Hartree
325	RY(5)H15 s(33.57%)p1.98(66.43%)	0.000044796	2.244002714 Hartree
326	RY(1)H16 s(99.92%)p0.00(0.08%)	0.001507595	0.980891303 Hartree
327	RY(2)H16 s(60.60%)p0.65(39.40%)	0.000290379	2.635044461 Hartree
328	RY(3)H16 s(0.00%)p1.00(100.00%)	0.000208634	1.801599850 Hartree
329	RY(4)H16 s(11.59%)p7.63(88.41%)	0.000059216	2.262714008 Hartree
330	RY(5)H16 s(27.97%)p2.57(72.03%)	0.000040257	2.190763370 Hartree
331	RY(1)H17 s(98.25%)p0.02(1.75%)	0.000307606	0.560979254 Hartree
332	RY(2)H17 s(3.32%)p29.13(96.68%)	0.000067479	2.218231394 Hartree
333	RY(3)H17 s(0.00%)p1.00(100.00%)	0.000054316	1.798076597 Hartree
334	RY(4)H17 s(97.36%)p0.03(2.64%)	0.000018701	2.390480401 Hartree
335	RY(5)H17 s(1.15%)p85.74(98.85%)	0.000004371	2.088001465 Hartree
336	RY(1)H18 s(99.25%)p0.01(0.75%)	0.001328083	0.451209868 Hartree
337	RY(2)H18 s(34.19%)p1.92(65.81%)	0.000098760	2.071100319 Hartree
338	RY(3)H18 s(11.52%)p7.68(88.48%)	0.000066458	2.248401448 Hartree
339	RY(4)H18 s(23.38%)p3.28(76.62%)	0.000039756	2.234777184 Hartree
340	RY(5)H18 s(31.72%)p2.15(68.28%)	0.000014054	2.177227573 Hartree
341	RY(1)H19 s(99.25%)p0.01(0.75%)	0.001328083	0.451209868 Hartree
342	RY(2)H19 s(34.19%)p1.92(65.81%)	0.000098760	2.071100319 Hartree
343	RY(3)H19 s(11.52%)p7.68(88.48%)	0.000066458	2.248401448 Hartree
344	RY(4)H19 s(23.38%)p3.28(76.62%)	0.000039756	2.234777184 Hartree
345	RY(5)H19 s(31.72%)p2.15(68.28%)	0.000014054	2.177227573 Hartree

Natural Bond Orbitals

Display Range		- / 345
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	CR(1)C1	1	1.999986250	-10.248913975 Hartree
2	CR(1)O2	2	1.999995094	-19.186488780 Hartree
3	CR(1)C3	3	1.999985401	-10.254624040 Hartree
4	CR(1)C4	4	1.999985299	-10.199936080 Hartree
5	CR(1)C5	5	1.999986758	-10.189993215 Hartree
6	CR(1)C6	6	1.999986029	-10.188665113 Hartree
7	CR(1)C7	7	1.999986406	-10.188194586 Hartree
8	CR(1)C8	8	1.999986162	-10.257407284 Hartree
9	CR(1)O9	9	1.999995014	-19.173994004 Hartree
10	CR(1)C13	10	1.999985147	-10.257396855 Hartree
11	CR(1)O14	11	1.999995320	-19.115570535 Hartree
12	LP(1)O2	12	1.960470934	-0.522991281 Hartree
13	LP(2)O2	13	1.863658608	-0.347018522 Hartree
14	LP(1)O9	14	1.978801980	-0.541371428 Hartree
15	LP(2)O9	15	1.856970359	-0.340870954 Hartree
16	LP(1)O14	16	1.984833133	-0.562822507 Hartree
17	LP(2)O14	17	1.877931007	-0.267444243 Hartree
18	BD(1)C1-O2	18, 19	1.991732596	-0.761099745 Hartree
19	BD(1)C1-H17	20, 21	1.991813451	-0.522642393 Hartree
20	BD(1)C1-H18	22, 23	1.994783669	-0.524987777 Hartree
21	BD(1)C1-H19	24, 25	1.994783669	-0.524987777 Hartree
22	BD(1)O2-C3	26, 27	1.990732384	-0.816952125 Hartree
23	BD(1)C3-C4	28, 29	1.976829666	-0.637054922 Hartree
24	BD(2)C3-C4	30, 31	1.707234834	-0.286739473 Hartree
25	BD(1)C3-C8	32, 33	1.971276624	-0.636231621 Hartree
26	BD(1)C4-C5	34, 35	1.970188250	-0.603879605 Hartree
27	BD(1)C4-H16	36, 37	1.975550086	-0.510115154 Hartree
28	BD(1)C5-C6	38, 39	1.972425493	-0.599681638 Hartree
29	BD(2)C5-C6	40, 41	1.632688177	-0.258721413 Hartree
30	BD(1)C5-C13	42, 43	1.981354801	-0.589645853 Hartree
31	BD(1)C6-C7	44, 45	1.974720886	-0.605153492 Hartree
32	BD(1)C6-H12	46, 47	1.978759343	-0.485497749 Hartree
33	BD(1)C7-C8	48, 49	1.974725693	-0.624338677 Hartree
34	BD(2)C7-C8	50, 51	1.627660220	-0.273541533 Hartree
35	BD(1)C7-H11	52, 53	1.978571176	-0.494650928 Hartree
36	BD(1)C8-O9	54, 55	1.993243101	-0.828257090 Hartree
37	BD(1)O9-H10	56, 57	1.987109949	-0.705592799 Hartree
38	BD(1)C13-O14	58, 59	1.995041725	-0.909952310 Hartree
39	BD(2)C13-O14	60, 61	1.981142880	-0.381076233 Hartree
40	BD(1)C13-H15	62, 63	1.986500754	-0.506340856 Hartree
41	BD*(1)C1-O2		0.008911171	0.254569070 Hartree
42	BD*(1)C1-H17		0.008321827	0.366936712 Hartree
43	BD*(1)C1-H18		0.018043421	0.353251604 Hartree
44	BD*(1)C1-H19		0.018043421	0.353251604 Hartree
45	BD*(1)O2-C3		0.028341920	0.328185594 Hartree
46	BD*(1)C3-C4		0.024110879	0.553412307 Hartree
47	BD*(2)C3-C4		0.374779343	0.005486584 Hartree
48	BD*(1)C3-C8		0.037386422	0.518528984 Hartree
49	BD*(1)C4-C5		0.020811685	0.548080929 Hartree
50	BD*(1)C4-H16		0.016454525	0.410704888 Hartree
51	BD*(1)C5-C6		0.023775438	0.562282327 Hartree
52	BD*(2)C5-C6		0.393563300	0.022356205 Hartree
53	BD*(1)C5-C13		0.059582288	0.448185682 Hartree
54	BD*(1)C6-C7		0.011145054	0.574760813 Hartree
55	BD*(1)C6-H12		0.014724694	0.433733613 Hartree
56	BD*(1)C7-C8		0.021790659	0.545600409 Hartree
57	BD*(2)C7-C8		0.376497065	0.009631478 Hartree
58	BD*(1)C7-H11		0.013173293	0.415701214 Hartree
59	BD*(1)C8-O9		0.018929157	0.346890043 Hartree
60	BD*(1)O9-H10		0.012689879	0.388473180 Hartree
61	BD*(1)C13-O14		0.003267727	0.608523590 Hartree
62	BD*(2)C13-O14		0.132478510	0.006713427 Hartree
63	BD*(1)C13-H15		0.069232756	0.342903172 Hartree
64	RY(1)C1	64	0.002338004	1.361120755 Hartree
65	RY(2)C1	65	0.001279865	0.901674876 Hartree
66	RY(3)C1	66	0.001158285	1.494373557 Hartree
67	RY(4)C1	67	0.000215446	0.956124927 Hartree
68	RY(5)C1	68	0.000160715	2.057260291 Hartree
69	RY(6)C1	69	0.000110308	2.422884047 Hartree
70	RY(7)C1	70	0.000037146	1.743442964 Hartree
71	RY(8)C1	71	0.000031755	1.397988285 Hartree
72	RY(9)C1	72	0.000014261	1.433734372 Hartree
73	RY(10)C1	73	0.000008586	2.623525909 Hartree
74	RY(11)C1	74	0.000005136	2.425107039 Hartree
75	RY(12)C1	75	0.000003804	2.357484339 Hartree
76	RY(13)C1	76	0.000002605	2.443594908 Hartree
77	RY(14)C1	77	0.000002905	6.966575912 Hartree
78	RY(15)C1	78	0.000000203	1.461358405 Hartree
79	RY(16)C1	79	0.000001065	2.131810687 Hartree
80	RY(17)C1	80	0.000000000	3.426582837 Hartree
81	RY(18)C1	81	0.000000101	1.892532900 Hartree
82	RY(19)C1	82	0.000000805	3.536666139 Hartree
83	RY(20)C1	83	0.000000114	3.199746701 Hartree
84	RY(21)C1	84	0.000000491	10.812592281 Hartree
85	RY(22)C1	85	0.000000043	3.313036644 Hartree
86	RY(1)O2	86	0.005205873	0.504321195 Hartree
87	RY(2)O2	87	0.003522849	0.783968926 Hartree
88	RY(3)O2	88	0.000879932	1.461537082 Hartree
89	RY(4)O2	89	0.000412454	1.444273674 Hartree
90	RY(5)O2	90	0.000190350	2.416565307 Hartree
91	RY(6)O2	91	0.000169303	3.151568106 Hartree
92	RY(7)O2	92	0.000169215	2.076948062 Hartree
93	RY(8)O2	93	0.000089730	2.770970148 Hartree
94	RY(9)O2	94	0.000085314	1.210386521 Hartree
95	RY(10)O2	95	0.000042092	1.952065140 Hartree
96	RY(11)O2	96	0.000021870	1.710028792 Hartree
97	RY(12)O2	97	0.000017629	1.661635830 Hartree
98	RY(13)O2	98	0.000010377	2.364665217 Hartree
99	RY(14)O2	99	0.000004566	5.599739705 Hartree
100	RY(15)O2	100	0.000002117	4.970959505 Hartree
101	RY(16)O2	101	0.000000445	6.676856691 Hartree
102	RY(17)O2	102	0.000000307	6.075314468 Hartree
103	RY(18)O2	103	0.000001052	6.017427610 Hartree
104	RY(19)O2	104	0.000000014	6.046212397 Hartree
105	RY(20)O2	105	0.000000000	5.022814751 Hartree
106	RY(21)O2	106	0.000000013	47.721888029 Hartree
107	RY(22)O2	107	0.000000054	6.749169725 Hartree
108	RY(1)C3	108	0.005481453	1.376792983 Hartree
109	RY(2)C3	109	0.003637434	1.572983499 Hartree
110	RY(3)C3	110	0.001517570	2.592084437 Hartree
111	RY(4)C3	111	0.001427206	1.855467652 Hartree
112	RY(5)C3	112	0.000812836	2.602444477 Hartree
113	RY(6)C3	113	0.000805181	1.404742036 Hartree
114	RY(7)C3	114	0.000399717	3.991914879 Hartree
115	RY(8)C3	115	0.000331509	1.123372550 Hartree
116	RY(9)C3	116	0.000271585	2.504886955 Hartree
117	RY(10)C3	117	0.000144340	3.027973666 Hartree
118	RY(11)C3	118	0.000109658	3.603125397 Hartree
119	RY(12)C3	119	0.000092296	2.320953560 Hartree
120	RY(13)C3	120	0.000065870	5.826447874 Hartree
121	RY(14)C3	121	0.000047660	1.269773370 Hartree
122	RY(15)C3	122	0.000045364	2.641326798 Hartree
123	RY(16)C3	123	0.000038152	2.898488307 Hartree
124	RY(17)C3	124	0.000019812	5.476550754 Hartree
125	RY(18)C3	125	0.000012288	3.587168868 Hartree
126	RY(19)C3	126	0.000006667	3.176262893 Hartree
127	RY(20)C3	127	0.000002287	2.157279687 Hartree
128	RY(21)C3	128	0.000002005	3.462661139 Hartree
129	RY(22)C3	129	0.000000000	2.694562222 Hartree
130	RY(1)C4	130	0.004686260	1.557011477 Hartree
131	RY(2)C4	131	0.002035232	1.092625087 Hartree
132	RY(3)C4	132	0.001310387	0.381947102 Hartree
133	RY(4)C4	133	0.000852845	1.717680383 Hartree
134	RY(5)C4	134	0.000690722	4.041885901 Hartree
135	RY(6)C4	135	0.000346235	1.365889150 Hartree
136	RY(7)C4	136	0.000303023	1.886263903 Hartree
137	RY(8)C4	137	0.000244821	3.514009631 Hartree
138	RY(9)C4	138	0.000160784	1.125093673 Hartree
139	RY(10)C4	139	0.000154977	5.345769320 Hartree
140	RY(11)C4	140	0.000075538	3.044650616 Hartree
141	RY(12)C4	141	0.000059657	2.089806308 Hartree
142	RY(13)C4	142	0.000034933	4.511263492 Hartree
143	RY(14)C4	143	0.000016232	1.820474585 Hartree
144	RY(15)C4	144	0.000011288	3.327573223 Hartree
145	RY(16)C4	145	0.000008732	5.709839384 Hartree
146	RY(17)C4	146	0.000006304	7.865280454 Hartree
147	RY(18)C4	147	0.000005788	1.545473897 Hartree
148	RY(19)C4	148	0.000003454	5.891863295 Hartree
149	RY(20)C4	149	0.000002361	4.285819103 Hartree
150	RY(21)C4	150	0.000000082	2.897725567 Hartree
151	RY(22)C4	151	0.000000000	3.047280070 Hartree
152	RY(1)C5	152	0.007953152	1.308636381 Hartree
153	RY(2)C5	153	0.003557286	1.609393619 Hartree
154	RY(3)C5	154	0.000842689	0.728714883 Hartree
155	RY(4)C5	155	0.000810711	1.321811198 Hartree
156	RY(5)C5	156	0.000573384	3.355719845 Hartree
157	RY(6)C5	157	0.000533593	2.252405760 Hartree
158	RY(7)C5	158	0.000396959	3.459961613 Hartree
159	RY(8)C5	159	0.000327274	1.646472215 Hartree
160	RY(9)C5	160	0.000269142	2.926694245 Hartree
161	RY(10)C5	161	0.000169041	5.065399994 Hartree
162	RY(11)C5	162	0.000139726	4.692587513 Hartree
163	RY(12)C5	163	0.000079022	3.512524074 Hartree
164	RY(13)C5	164	0.000027538	2.036713640 Hartree
165	RY(14)C5	165	0.000018706	2.698261269 Hartree
166	RY(15)C5	166	0.000010405	1.541729219 Hartree
167	RY(16)C5	167	0.000009319	3.280739288 Hartree
168	RY(17)C5	168	0.000003020	1.996454081 Hartree
169	RY(18)C5	169	0.000003941	4.076157908 Hartree
170	RY(19)C5	170	0.000002952	6.984157761 Hartree
171	RY(20)C5	171	0.000000859	2.027665467 Hartree
172	RY(21)C5	172	0.000001270	9.875761501 Hartree
173	RY(22)C5	173	0.000000000	2.797720851 Hartree
174	RY(1)C6	174	0.005729712	1.457663368 Hartree
175	RY(2)C6	175	0.002614965	0.971039341 Hartree
176	RY(3)C6	176	0.001295869	0.786713269 Hartree
177	RY(4)C6	177	0.000476141	1.734365783 Hartree
178	RY(5)C6	178	0.000386446	3.259229205 Hartree
179	RY(6)C6	179	0.000324654	2.688761656 Hartree
180	RY(7)C6	180	0.000258425	2.700778655 Hartree
181	RY(8)C6	181	0.000166216	1.946223094 Hartree
182	RY(9)C6	182	0.000136264	2.773719167 Hartree
183	RY(10)C6	183	0.000055933	4.527121154 Hartree
184	RY(11)C6	184	0.000050007	1.509392403 Hartree
185	RY(12)C6	185	0.000029224	2.097182045 Hartree
186	RY(13)C6	186	0.000010691	6.006897262 Hartree
187	RY(14)C6	187	0.000007716	7.584262705 Hartree
188	RY(15)C6	188	0.000004488	4.032774247 Hartree
189	RY(16)C6	189	0.000001403	1.622163396 Hartree
190	RY(17)C6	190	0.000002081	2.975095171 Hartree
191	RY(18)C6	191	0.000000043	1.169232079 Hartree
192	RY(19)C6	192	0.000000316	3.008722915 Hartree
193	RY(20)C6	193	0.000000734	3.323607592 Hartree
194	RY(21)C6	194	0.000001566	3.670423168 Hartree
195	RY(22)C6	195	0.000000000	2.670662927 Hartree
196	RY(1)C7	196	0.005777797	1.426351101 Hartree
197	RY(2)C7	197	0.002138807	1.064886563 Hartree
198	RY(3)C7	198	0.000854858	0.359581445 Hartree
199	RY(4)C7	199	0.000587814	2.361526332 Hartree
200	RY(5)C7	200	0.000563295	1.907004582 Hartree
201	RY(6)C7	201	0.000226440	4.327043879 Hartree
202	RY(7)C7	202	0.000200801	1.263430129 Hartree
203	RY(8)C7	203	0.000168204	2.197348783 Hartree
204	RY(9)C7	204	0.000078540	3.046847996 Hartree
205	RY(10)C7	205	0.000059348	2.298089776 Hartree
206	RY(11)C7	206	0.000037149	2.692373301 Hartree
207	RY(12)C7	207	0.000019826	3.709195773 Hartree
208	RY(13)C7	208	0.000015821	1.632889008 Hartree
209	RY(14)C7	209	0.000013751	10.280232862 Hartree
210	RY(15)C7	210	0.000010868	6.408433224 Hartree
211	RY(16)C7	211	0.000005175	3.335246842 Hartree
212	RY(17)C7	212	0.000004438	1.516363341 Hartree
213	RY(18)C7	213	0.000001901	3.425570757 Hartree
214	RY(19)C7	214	0.000000000	3.357907800 Hartree
215	RY(20)C7	215	0.000000426	1.383536369 Hartree
216	RY(21)C7	216	0.000000762	3.191617692 Hartree
217	RY(22)C7	217	0.000000079	2.575437546 Hartree
218	RY(1)C8	218	0.006209936	1.151696767 Hartree
219	RY(2)C8	219	0.003560968	1.394034222 Hartree
220	RY(3)C8	220	0.001979414	1.663562098 Hartree
221	RY(4)C8	221	0.001768469	2.718240170 Hartree
222	RY(5)C8	222	0.000703081	1.728406200 Hartree
223	RY(6)C8	223	0.000668878	2.276862115 Hartree
224	RY(7)C8	224	0.000519043	3.275097637 Hartree
225	RY(8)C8	225	0.000357159	5.966109350 Hartree
226	RY(9)C8	226	0.000228483	3.346310760 Hartree
227	RY(10)C8	227	0.000213142	1.035927582 Hartree
228	RY(11)C8	228	0.000063912	2.368793424 Hartree
229	RY(12)C8	229	0.000049874	2.059455634 Hartree
230	RY(13)C8	230	0.000040754	5.073286358 Hartree
231	RY(14)C8	231	0.000033027	2.937589889 Hartree
232	RY(15)C8	232	0.000015681	2.852833279 Hartree
233	RY(16)C8	233	0.000011211	3.071178168 Hartree
234	RY(17)C8	234	0.000004106	5.085447919 Hartree
235	RY(18)C8	235	0.000004388	1.640351436 Hartree
236	RY(19)C8	236	0.000002926	4.054132218 Hartree
237	RY(20)C8	237	0.000000964	2.160979120 Hartree
238	RY(21)C8	238	0.000001069	3.175826973 Hartree
239	RY(22)C8	239	0.000000000	2.423740898 Hartree
240	RY(1)O9	240	0.003262723	0.514181447 Hartree
241	RY(2)O9	241	0.001911417	0.939273438 Hartree
242	RY(3)O9	242	0.000413595	0.842441553 Hartree
243	RY(4)O9	243	0.000194427	1.978545159 Hartree
244	RY(5)O9	244	0.000120296	2.161648054 Hartree
245	RY(6)O9	245	0.000069563	2.099340469 Hartree
246	RY(7)O9	246	0.000054954	1.471312041 Hartree
247	RY(8)O9	247	0.000045029	1.311776195 Hartree
248	RY(9)O9	248	0.000027145	1.584176722 Hartree
249	RY(10)O9	249	0.000009522	1.765701601 Hartree
250	RY(11)O9	250	0.000005999	2.686187900 Hartree
251	RY(12)O9	251	0.000004355	2.270935393 Hartree
252	RY(13)O9	252	0.000001003	6.012233743 Hartree
253	RY(14)O9	253	0.000000005	4.790199335 Hartree
254	RY(15)O9	254	0.000000068	40.350149234 Hartree
255	RY(16)O9	255	0.000000280	6.796854335 Hartree
256	RY(17)O9	256	0.000000433	2.972301611 Hartree
257	RY(18)O9	257	0.000000295	5.563453936 Hartree
258	RY(19)O9	258	0.000000000	6.735528421 Hartree
259	RY(20)O9	259	0.000000484	3.957196718 Hartree
260	RY(21)O9	260	0.000000857	8.358260073 Hartree
261	RY(22)O9	261	0.000000015	12.417387343 Hartree
262	RY(1)H10	262	0.001076367	1.736091875 Hartree
263	RY(2)H10	263	0.000907938	1.757054491 Hartree
264	RY(3)H10	264	0.000317723	2.066280405 Hartree
265	RY(4)H10	265	0.000165074	2.124610250 Hartree
266	RY(5)H10	266	0.000007014	2.279993095 Hartree
267	RY(1)H11	267	0.001154279	0.807033909 Hartree
268	RY(2)H11	268	0.000241331	2.682912722 Hartree
269	RY(3)H11	269	0.000138208	1.812026733 Hartree
270	RY(4)H11	270	0.000072239	2.288642274 Hartree
271	RY(5)H11	271	0.000033874	2.164349643 Hartree
272	RY(1)H12	272	0.001261025	0.944663083 Hartree
273	RY(2)H12	273	0.000323034	2.730290707 Hartree
274	RY(3)H12	274	0.000124848	1.819167109 Hartree
275	RY(4)H12	275	0.000073286	2.297544282 Hartree
276	RY(5)H12	276	0.000029948	2.140737385 Hartree
277	RY(1)C13	277	0.011485752	1.087863114 Hartree
278	RY(2)C13	278	0.003997712	1.870433021 Hartree
279	RY(3)C13	279	0.001920213	1.450003061 Hartree
280	RY(4)C13	280	0.001504381	1.703315090 Hartree
281	RY(5)C13	281	0.000280703	2.585722528 Hartree
282	RY(6)C13	282	0.000237033	2.744497428 Hartree
283	RY(7)C13	283	0.000213019	0.546530671 Hartree
284	RY(8)C13	284	0.000177314	1.391282986 Hartree
285	RY(9)C13	285	0.000058395	1.051796876 Hartree
286	RY(10)C13	286	0.000021833	1.818472203 Hartree
287	RY(11)C13	287	0.000014678	8.778585967 Hartree
288	RY(12)C13	288	0.000009134	5.904992570 Hartree
289	RY(13)C13	289	0.000006194	2.780361613 Hartree
290	RY(14)C13	290	0.000004617	3.255714432 Hartree
291	RY(15)C13	291	0.000002335	0.419599634 Hartree
292	RY(16)C13	292	0.000002717	5.156779004 Hartree
293	RY(17)C13	293	0.000000289	1.420665626 Hartree
294	RY(18)C13	294	0.000000235	2.665995760 Hartree
295	RY(19)C13	295	0.000000000	3.163199402 Hartree
296	RY(20)C13	296	0.000000593	3.001110574 Hartree
297	RY(21)C13	297	0.000001344	3.833802185 Hartree
298	RY(22)C13	298	0.000000001	2.702806586 Hartree
299	RY(1)O14	299	0.003486666	0.851558785 Hartree
300	RY(2)O14	300	0.000851181	0.587937722 Hartree
301	RY(3)O14	301	0.000464517	1.066043472 Hartree
302	RY(4)O14	302	0.000078149	2.442909322 Hartree
303	RY(5)O14	303	0.000018595	1.774826145 Hartree
304	RY(6)O14	304	0.000016482	1.024198928 Hartree
305	RY(7)O14	305	0.000010095	2.425373693 Hartree
306	RY(8)O14	306	0.000006578	1.800988250 Hartree
307	RY(9)O14	307	0.000004533	3.671745948 Hartree
308	RY(10)O14	308	0.000004283	1.563115747 Hartree
309	RY(11)O14	309	0.000001676	2.597383535 Hartree
310	RY(12)O14	310	0.000000892	3.754991199 Hartree
311	RY(13)O14	311	0.000000319	8.791952285 Hartree
312	RY(14)O14	312	0.000001206	6.063211801 Hartree
313	RY(15)O14	313	0.000000013	5.017459178 Hartree
314	RY(16)O14	314	0.000000024	29.095204556 Hartree
315	RY(17)O14	315	0.000000094	6.769273927 Hartree
316	RY(18)O14	316	0.000000005	1.900535240 Hartree
317	RY(19)O14	317	0.000000000	6.752012225 Hartree
318	RY(20)O14	318	0.000000000	6.738422711 Hartree
319	RY(21)O14	319	0.000000034	15.915031857 Hartree
320	RY(22)O14	320	0.000000004	6.845193492 Hartree
321	RY(1)H15	321	0.002635347	0.590472427 Hartree
322	RY(2)H15	322	0.000168013	2.568810363 Hartree
323	RY(3)H15	323	0.000078784	1.745327554 Hartree
324	RY(4)H15	324	0.000061818	2.257809275 Hartree
325	RY(5)H15	325	0.000044796	2.244002714 Hartree
326	RY(1)H16	326	0.001507595	0.980891303 Hartree
327	RY(2)H16	327	0.000290379	2.635044461 Hartree
328	RY(3)H16	328	0.000208634	1.801599850 Hartree
329	RY(4)H16	329	0.000059216	2.262714008 Hartree
330	RY(5)H16	330	0.000040257	2.190763370 Hartree
331	RY(1)H17	331	0.000307606	0.560979254 Hartree
332	RY(2)H17	332	0.000067479	2.218231394 Hartree
333	RY(3)H17	333	0.000054316	1.798076597 Hartree
334	RY(4)H17	334	0.000018701	2.390480401 Hartree
335	RY(5)H17	335	0.000004371	2.088001465 Hartree
336	RY(1)H18	336	0.001328083	0.451209868 Hartree
337	RY(2)H18	337	0.000098760	2.071100319 Hartree
338	RY(3)H18	338	0.000066458	2.248401448 Hartree
339	RY(4)H18	339	0.000039756	2.234777184 Hartree
340	RY(5)H18	340	0.000014054	2.177227573 Hartree
341	RY(1)H19	341	0.001328083	0.451209868 Hartree
342	RY(2)H19	342	0.000098760	2.071100319 Hartree
343	RY(3)H19	343	0.000066458	2.248401448 Hartree
344	RY(4)H19	344	0.000039756	2.234777184 Hartree
345	RY(5)H19	345	0.000014054	2.177227573 Hartree

Quote

IF YOU BELIEVE CERTAIN WORDS, YOU BELIEVE THEIR HIDDEN ARGUMENTS. WHEN YOU BELIEVE SOMETHING IS RIGHT OR WRONG, TRUE OR FALSE, YOU BELIEVE THE ASSUMPTIONS IN THE WORDS WHICH EXPRESS THE ARGUMENTS. SUCH ASSUMPTIONS ARE OFTEN FULL OF HOLES, BUT REMAIN MOST PRECIOUS TO THE CONVINCED. -- THE OPEN-ENDED PROOF FROM THE PANOPLIA PROPHETICA CHILDREN OF DUNE BY FRANK HERBERT