WebMO Job Summary

Overview

Quantity	Value
Route	#N B3LYP/6-311+G(2d,p) SP GFINPUT POP=(FULL,NBORead) Geom=Connectivity
Stoichiometry	C₈H₇O₂(1-)
Symmetry	CS
Basis	6-311+G(2d,p)
RB3LYP Energy	-459.722202138 Hartree
Dipole Moment	5.0560 Debye
Server	batch (413150)
CPU time	578.7 sec

Rotational Constants

Constant	Frequency (GHz)	Frequency (cm^-1)
a	3.6734397	0.12253275898
b	0.8045343	0.02683637558
c	0.6626962	0.02210516583

Partial Charges

Atom	Symbol	Charge
1	C	-0.520447
2	C	0.344420
3	C	0.983510
4	C	-0.147882
5	C	0.028139
6	C	-0.129051
7	C	-0.077849
8	C	-0.842958
9	H	0.052212
10	H	0.047023
11	O	-0.644805
12	H	0.049159
13	H	0.087602
14	O	-0.580412
15	H	0.121257
16	H	0.115041
17	H	0.115041

Molecular Orbitals

Display Range		- / 312
Orbital	Symmetry	Occupancy	Energy	Actions
1	-	2	-18.95190 Hartree
2	-	2	-18.90945 Hartree
3	-	2	-10.10837 Hartree
4	-	2	-10.07058 Hartree
5	-	2	-10.04715 Hartree
6	-	2	-10.03576 Hartree
7	-	2	-10.02783 Hartree
8	-	2	-10.01707 Hartree
9	-	2	-10.01150 Hartree
10	-	2	-10.01027 Hartree
11	-	2	-0.88002 Hartree
12	-	2	-0.83284 Hartree
13	-	2	-0.69573 Hartree
14	-	2	-0.62092 Hartree
15	-	2	-0.59875 Hartree
16	-	2	-0.56956 Hartree
17	-	2	-0.46108 Hartree
18	-	2	-0.45432 Hartree
19	-	2	-0.40507 Hartree
20	-	2	-0.34979 Hartree
21	-	2	-0.32243 Hartree
22	-	2	-0.31288 Hartree
23	-	2	-0.30247 Hartree
24	-	2	-0.29106 Hartree
25	-	2	-0.27655 Hartree
26	-	2	-0.26929 Hartree
27	-	2	-0.25162 Hartree
28	-	2	-0.24224 Hartree
29	-	2	-0.22255 Hartree
30	-	2	-0.21895 Hartree
31	-	2	-0.19663 Hartree
32	-	2	-0.16340 Hartree
33	-	2	-0.11406 Hartree
34	-	2	-0.10922 Hartree
35	-	2	-0.07552 Hartree
36	-	2	-0.04595 Hartree
37	-	0	0.09804 Hartree
38	-	0	0.10254 Hartree
39	-	0	0.12884 Hartree
40	-	0	0.13558 Hartree
41	-	0	0.13581 Hartree
42	-	0	0.14862 Hartree
43	-	0	0.15255 Hartree
44	-	0	0.15543 Hartree
45	-	0	0.16639 Hartree
46	-	0	0.17497 Hartree
47	-	0	0.18065 Hartree
48	-	0	0.18560 Hartree
49	-	0	0.20002 Hartree
50	-	0	0.20399 Hartree
51	-	0	0.20684 Hartree
52	-	0	0.20965 Hartree
53	-	0	0.21889 Hartree
54	-	0	0.22480 Hartree
55	-	0	0.23431 Hartree
56	-	0	0.25045 Hartree
57	-	0	0.25859 Hartree
58	-	0	0.26035 Hartree
59	-	0	0.26602 Hartree
60	-	0	0.27595 Hartree
61	-	0	0.27891 Hartree
62	-	0	0.28463 Hartree
63	-	0	0.29287 Hartree
64	-	0	0.29993 Hartree
65	-	0	0.30023 Hartree
66	-	0	0.30916 Hartree
67	-	0	0.31054 Hartree
68	-	0	0.32134 Hartree
69	-	0	0.33481 Hartree
70	-	0	0.33715 Hartree
71	-	0	0.34312 Hartree
72	-	0	0.34418 Hartree
73	-	0	0.35121 Hartree
74	-	0	0.35413 Hartree
75	-	0	0.36122 Hartree
76	-	0	0.36447 Hartree
77	-	0	0.36945 Hartree
78	-	0	0.39056 Hartree
79	-	0	0.39629 Hartree
80	-	0	0.41219 Hartree
81	-	0	0.41243 Hartree
82	-	0	0.41722 Hartree
83	-	0	0.42009 Hartree
84	-	0	0.43541 Hartree
85	-	0	0.43904 Hartree
86	-	0	0.44628 Hartree
87	-	0	0.46668 Hartree
88	-	0	0.47677 Hartree
89	-	0	0.48988 Hartree
90	-	0	0.49705 Hartree
91	-	0	0.51551 Hartree
92	-	0	0.53384 Hartree
93	-	0	0.53716 Hartree
94	-	0	0.55162 Hartree
95	-	0	0.56070 Hartree
96	-	0	0.60192 Hartree
97	-	0	0.61722 Hartree
98	-	0	0.63007 Hartree
99	-	0	0.63877 Hartree
100	-	0	0.64482 Hartree
101	-	0	0.65115 Hartree
102	-	0	0.66682 Hartree
103	-	0	0.66788 Hartree
104	-	0	0.68216 Hartree
105	-	0	0.68824 Hartree
106	-	0	0.68956 Hartree
107	-	0	0.70666 Hartree
108	-	0	0.71622 Hartree
109	-	0	0.73752 Hartree
110	-	0	0.73914 Hartree
111	-	0	0.74281 Hartree
112	-	0	0.74889 Hartree
113	-	0	0.76384 Hartree
114	-	0	0.77062 Hartree
115	-	0	0.79890 Hartree
116	-	0	0.80167 Hartree
117	-	0	0.80469 Hartree
118	-	0	0.82400 Hartree
119	-	0	0.82927 Hartree
120	-	0	0.83346 Hartree
121	-	0	0.84745 Hartree
122	-	0	0.85617 Hartree
123	-	0	0.86612 Hartree
124	-	0	0.86747 Hartree
125	-	0	0.89895 Hartree
126	-	0	0.91534 Hartree
127	-	0	0.91914 Hartree
128	-	0	0.92604 Hartree
129	-	0	0.92687 Hartree
130	-	0	0.93209 Hartree
131	-	0	0.97010 Hartree
132	-	0	0.97534 Hartree
133	-	0	0.98704 Hartree
134	-	0	0.99038 Hartree
135	-	0	0.99740 Hartree
136	-	0	1.00446 Hartree
137	-	0	1.02917 Hartree
138	-	0	1.03339 Hartree
139	-	0	1.05321 Hartree
140	-	0	1.11537 Hartree
141	-	0	1.13348 Hartree
142	-	0	1.15004 Hartree
143	-	0	1.15665 Hartree
144	-	0	1.18206 Hartree
145	-	0	1.19503 Hartree
146	-	0	1.22607 Hartree
147	-	0	1.25512 Hartree
148	-	0	1.25911 Hartree
149	-	0	1.26773 Hartree
150	-	0	1.26875 Hartree
151	-	0	1.27866 Hartree
152	-	0	1.30117 Hartree
153	-	0	1.31495 Hartree
154	-	0	1.31953 Hartree
155	-	0	1.33172 Hartree
156	-	0	1.35355 Hartree
157	-	0	1.37253 Hartree
158	-	0	1.37863 Hartree
159	-	0	1.39527 Hartree
160	-	0	1.40118 Hartree
161	-	0	1.41153 Hartree
162	-	0	1.43380 Hartree
163	-	0	1.44193 Hartree
164	-	0	1.44339 Hartree
165	-	0	1.47425 Hartree
166	-	0	1.49301 Hartree
167	-	0	1.50404 Hartree
168	-	0	1.51584 Hartree
169	-	0	1.52584 Hartree
170	-	0	1.56590 Hartree
171	-	0	1.57135 Hartree
172	-	0	1.63152 Hartree
173	-	0	1.64975 Hartree
174	-	0	1.65704 Hartree
175	-	0	1.67793 Hartree
176	-	0	1.72304 Hartree
177	-	0	1.78162 Hartree
178	-	0	1.78321 Hartree
179	-	0	1.81476 Hartree
180	-	0	1.83588 Hartree
181	-	0	1.84992 Hartree
182	-	0	1.86019 Hartree
183	-	0	1.87280 Hartree
184	-	0	1.90769 Hartree
185	-	0	1.91753 Hartree
186	-	0	1.93846 Hartree
187	-	0	1.95325 Hartree
188	-	0	1.96538 Hartree
189	-	0	2.00579 Hartree
190	-	0	2.01613 Hartree
191	-	0	2.08826 Hartree
192	-	0	2.09905 Hartree
193	-	0	2.10755 Hartree
194	-	0	2.15351 Hartree
195	-	0	2.17599 Hartree
196	-	0	2.18527 Hartree
197	-	0	2.24948 Hartree
198	-	0	2.33897 Hartree
199	-	0	2.34151 Hartree
200	-	0	2.37730 Hartree
201	-	0	2.41518 Hartree
202	-	0	2.45407 Hartree
203	-	0	2.47213 Hartree
204	-	0	2.50480 Hartree
205	-	0	2.50544 Hartree
206	-	0	2.54834 Hartree
207	-	0	2.62360 Hartree
208	-	0	2.67827 Hartree
209	-	0	2.69776 Hartree
210	-	0	2.75506 Hartree
211	-	0	2.75604 Hartree
212	-	0	2.78241 Hartree
213	-	0	2.80263 Hartree
214	-	0	2.81321 Hartree
215	-	0	2.82969 Hartree
216	-	0	2.85336 Hartree
217	-	0	2.90357 Hartree
218	-	0	2.91075 Hartree
219	-	0	2.91916 Hartree
220	-	0	2.93128 Hartree
221	-	0	2.95597 Hartree
222	-	0	3.01029 Hartree
223	-	0	3.02787 Hartree
224	-	0	3.03318 Hartree
225	-	0	3.06550 Hartree
226	-	0	3.09777 Hartree
227	-	0	3.16140 Hartree
228	-	0	3.19155 Hartree
229	-	0	3.23183 Hartree
230	-	0	3.25651 Hartree
231	-	0	3.25873 Hartree
232	-	0	3.26736 Hartree
233	-	0	3.27771 Hartree
234	-	0	3.30840 Hartree
235	-	0	3.34128 Hartree
236	-	0	3.35553 Hartree
237	-	0	3.41702 Hartree
238	-	0	3.44071 Hartree
239	-	0	3.45917 Hartree
240	-	0	3.47015 Hartree
241	-	0	3.49764 Hartree
242	-	0	3.51544 Hartree
243	-	0	3.51892 Hartree
244	-	0	3.53145 Hartree
245	-	0	3.54004 Hartree
246	-	0	3.55397 Hartree
247	-	0	3.58498 Hartree
248	-	0	3.60664 Hartree
249	-	0	3.62436 Hartree
250	-	0	3.62575 Hartree
251	-	0	3.63638 Hartree
252	-	0	3.67951 Hartree
253	-	0	3.70963 Hartree
254	-	0	3.72189 Hartree
255	-	0	3.74297 Hartree
256	-	0	3.74506 Hartree
257	-	0	3.76159 Hartree
258	-	0	3.77810 Hartree
259	-	0	3.79926 Hartree
260	-	0	3.81079 Hartree
261	-	0	3.81381 Hartree
262	-	0	3.85304 Hartree
263	-	0	3.85420 Hartree
264	-	0	3.86201 Hartree
265	-	0	3.91552 Hartree
266	-	0	3.92689 Hartree
267	-	0	3.93619 Hartree
268	-	0	3.96584 Hartree
269	-	0	4.03260 Hartree
270	-	0	4.05436 Hartree
271	-	0	4.08187 Hartree
272	-	0	4.11043 Hartree
273	-	0	4.20281 Hartree
274	-	0	4.21594 Hartree
275	-	0	4.26370 Hartree
276	-	0	4.28393 Hartree
277	-	0	4.30918 Hartree
278	-	0	4.31837 Hartree
279	-	0	4.42800 Hartree
280	-	0	4.47768 Hartree
281	-	0	4.59957 Hartree
282	-	0	4.68900 Hartree
283	-	0	4.84885 Hartree
284	-	0	4.88451 Hartree
285	-	0	5.07835 Hartree
286	-	0	5.23111 Hartree
287	-	0	5.26597 Hartree
288	-	0	5.31434 Hartree
289	-	0	5.53026 Hartree
290	-	0	5.60700 Hartree
291	-	0	6.16934 Hartree
292	-	0	6.20274 Hartree
293	-	0	6.97268 Hartree
294	-	0	7.01040 Hartree
295	-	0	7.02779 Hartree
296	-	0	7.07726 Hartree
297	-	0	7.20651 Hartree
298	-	0	7.23159 Hartree
299	-	0	7.40856 Hartree
300	-	0	7.43122 Hartree
301	-	0	7.44658 Hartree
302	-	0	7.47580 Hartree
303	-	0	23.87257 Hartree
304	-	0	24.08403 Hartree
305	-	0	24.15762 Hartree
306	-	0	24.19338 Hartree
307	-	0	24.22963 Hartree
308	-	0	24.28167 Hartree
309	-	0	24.29563 Hartree
310	-	0	24.38267 Hartree
311	-	0	50.20664 Hartree
312	-	0	50.24972 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom	Symbol	Charge
1	C	-0.65540
2	C	0.51589
3	C	-0.26981
4	C	-0.15460
5	C	-0.30674
6	C	0.40751
7	C	-0.31712
8	C	-0.17252
9	H	0.18098
10	H	0.18495
11	O	-0.73568
12	H	0.18570
13	H	0.20516
14	O	-0.67501
15	H	0.20452
16	H	0.20109
17	H	0.20109

Natural Atomic Orbitals

Display Range		- / 312
Orbital	Description	Occupancy	Energy	Actions
1	C1 Cor(1S)	1.999291355	-9.907722492 Hartree
2	C1 Val(2S)	1.114367821	-0.142212944 Hartree
3	C1 Ryd(3S)	0.000773605	0.794598452 Hartree
4	C1 Ryd(4S)	0.000354125	1.228120455 Hartree
5	C1 Ryd(5S)	0.000001849	23.423210243 Hartree
6	C1 Val(2p)	1.137108692	0.018434159 Hartree
7	C1 Ryd(4p)	0.001606829	0.672367525 Hartree
8	C1 Ryd(3p)	0.000294385	0.518587026 Hartree
9	C1 Ryd(5p)	0.000046037	3.005044032 Hartree
10	C1 Val(2p)	1.196005503	0.020427396 Hartree
11	C1 Ryd(4p)	0.002169794	0.890392931 Hartree
12	C1 Ryd(3p)	0.000287988	0.463940164 Hartree
13	C1 Ryd(5p)	0.000067174	3.152454152 Hartree
14	C1 Val(2p)	1.196503150	0.018730084 Hartree
15	C1 Ryd(4p)	0.000242327	0.649554765 Hartree
16	C1 Ryd(3p)	0.000072160	0.430702800 Hartree
17	C1 Ryd(5p)	0.000042383	3.091365196 Hartree
18	C1 Ryd(3d)	0.001154456	1.790479240 Hartree
19	C1 Ryd(4d)	0.000065933	3.344273438 Hartree
20	C1 Ryd(3d)	0.001141149	1.646918796 Hartree
21	C1 Ryd(4d)	0.000069653	3.232168460 Hartree
22	C1 Ryd(3d)	0.000965845	1.439781883 Hartree
23	C1 Ryd(4d)	0.000172981	3.019566383 Hartree
24	C1 Ryd(3d)	0.001290570	1.765103066 Hartree
25	C1 Ryd(4d)	0.000202957	3.321625482 Hartree
26	C1 Ryd(3d)	0.001048178	1.752523391 Hartree
27	C1 Ryd(4d)	0.000056409	3.318652096 Hartree
28	C2 Cor(1S)	1.999189802	-9.979793950 Hartree
29	C2 Val(2S)	0.833957327	0.002607056 Hartree
30	C2 Ryd(4S)	0.003891757	1.093692861 Hartree
31	C2 Ryd(3S)	0.000160043	1.048733580 Hartree
32	C2 Ryd(5S)	0.000038114	22.226385452 Hartree
33	C2 Val(2p)	0.867198793	0.109664923 Hartree
34	C2 Ryd(4p)	0.012934164	1.352808352 Hartree
35	C2 Ryd(3p)	0.000614214	0.598221700 Hartree
36	C2 Ryd(5p)	0.000154866	3.010813255 Hartree
37	C2 Val(2p)	0.959894461	0.121487512 Hartree
38	C2 Ryd(4p)	0.008393622	1.316463241 Hartree
39	C2 Ryd(3p)	0.000756718	0.567613806 Hartree
40	C2 Ryd(5p)	0.000239114	2.809243165 Hartree
41	C2 Val(2p)	0.788727133	0.034445546 Hartree
42	C2 Ryd(4p)	0.001975977	0.812374364 Hartree
43	C2 Ryd(3p)	0.000583458	0.448726727 Hartree
44	C2 Ryd(5p)	0.000204477	2.765015813 Hartree
45	C2 Ryd(4d)	0.000969031	3.570679245 Hartree
46	C2 Ryd(3d)	0.000060033	3.436212953 Hartree
47	C2 Ryd(4d)	0.000772678	2.946357384 Hartree
48	C2 Ryd(3d)	0.000027249	2.634012342 Hartree
49	C2 Ryd(4d)	0.000968811	2.901985956 Hartree
50	C2 Ryd(3d)	0.000100702	2.588765026 Hartree
51	C2 Ryd(3d)	0.001907096	3.403405416 Hartree
52	C2 Ryd(4d)	0.000045944	3.419431358 Hartree
53	C2 Ryd(4d)	0.000214073	3.088820946 Hartree
54	C2 Ryd(3d)	0.000133285	2.865143457 Hartree
55	C3 Cor(1S)	1.998907227	-9.871129239 Hartree
56	C3 Val(2S)	0.887021042	0.024675111 Hartree
57	C3 Ryd(3S)	0.001020617	1.222611582 Hartree
58	C3 Ryd(4S)	0.000105301	2.285117408 Hartree
59	C3 Ryd(5S)	0.000006538	20.789797766 Hartree
60	C3 Val(2p)	1.098573187	0.086630520 Hartree
61	C3 Ryd(4p)	0.004996877	1.391244933 Hartree
62	C3 Ryd(3p)	0.000438480	0.691385651 Hartree
63	C3 Ryd(5p)	0.000195933	3.718419917 Hartree
64	C3 Val(2p)	1.091931108	0.084106336 Hartree
65	C3 Ryd(4p)	0.005808920	1.517549871 Hartree
66	C3 Ryd(3p)	0.000202497	0.897783460 Hartree
67	C3 Ryd(5p)	0.000093099	3.643977952 Hartree
68	C3 Val(2p)	1.171673975	0.041936642 Hartree
69	C3 Ryd(4p)	0.002639717	0.708310341 Hartree
70	C3 Ryd(3p)	0.000458863	0.494493001 Hartree
71	C3 Ryd(5p)	0.000030664	2.982654909 Hartree
72	C3 Ryd(3d)	0.000918119	2.022230069 Hartree
73	C3 Ryd(4d)	0.000665270	3.950013684 Hartree
74	C3 Ryd(3d)	0.000247528	1.240945081 Hartree
75	C3 Ryd(4d)	0.000287560	3.539292452 Hartree
76	C3 Ryd(3d)	0.000537313	1.195329992 Hartree
77	C3 Ryd(4d)	0.000142835	3.555690813 Hartree
78	C3 Ryd(3d)	0.000830143	2.326482563 Hartree
79	C3 Ryd(4d)	0.000687993	3.875793930 Hartree
80	C3 Ryd(3d)	0.001336088	1.686130129 Hartree
81	C3 Ryd(4d)	0.000057855	3.690570484 Hartree
82	C4 Cor(1S)	1.999087258	-9.877232047 Hartree
83	C4 Val(2S)	0.939500558	-0.004909288 Hartree
84	C4 Ryd(3S)	0.001665465	1.288379937 Hartree
85	C4 Ryd(4S)	0.000105843	1.404420859 Hartree
86	C4 Ryd(5S)	0.000021267	21.317538286 Hartree
87	C4 Val(2p)	1.125419549	0.104813690 Hartree
88	C4 Ryd(4p)	0.006056822	1.101882716 Hartree
89	C4 Ryd(3p)	0.000362392	0.641794212 Hartree
90	C4 Ryd(5p)	0.000094996	3.600771606 Hartree
91	C4 Val(2p)	1.109210472	0.099931805 Hartree
92	C4 Ryd(4p)	0.005054925	1.258981552 Hartree
93	C4 Ryd(3p)	0.000367484	0.770881522 Hartree
94	C4 Ryd(5p)	0.000157504	3.686090435 Hartree
95	C4 Val(2p)	0.960621103	0.042762139 Hartree
96	C4 Ryd(4p)	0.001362455	0.648597160 Hartree
97	C4 Ryd(3p)	0.000605697	0.463266360 Hartree
98	C4 Ryd(5p)	0.000011390	2.940277690 Hartree
99	C4 Ryd(3d)	0.000615644	2.451033468 Hartree
100	C4 Ryd(4d)	0.000706601	3.770551995 Hartree
101	C4 Ryd(3d)	0.000245214	1.662881343 Hartree
102	C4 Ryd(4d)	0.000107950	3.025736950 Hartree
103	C4 Ryd(3d)	0.000438274	1.682720234 Hartree
104	C4 Ryd(4d)	0.000150847	3.054824573 Hartree
105	C4 Ryd(3d)	0.000902779	2.397966462 Hartree
106	C4 Ryd(4d)	0.000364115	3.671863382 Hartree
107	C4 Ryd(3d)	0.001251501	2.124669666 Hartree
108	C4 Ryd(4d)	0.000115663	3.400854467 Hartree
109	C5 Cor(1S)	1.999059651	-9.867606243 Hartree
110	C5 Val(2S)	0.971693783	-0.017526543 Hartree
111	C5 Ryd(4S)	0.002219372	1.291531757 Hartree
112	C5 Ryd(3S)	0.000100673	0.812372625 Hartree
113	C5 Ryd(5S)	0.000012525	22.089903196 Hartree
114	C5 Val(2p)	1.140642175	0.101430678 Hartree
115	C5 Ryd(4p)	0.004537365	1.270229853 Hartree
116	C5 Ryd(3p)	0.000652747	0.829276062 Hartree
117	C5 Ryd(5p)	0.000135372	3.392047530 Hartree
118	C5 Val(2p)	1.085808610	0.106600060 Hartree
119	C5 Ryd(4p)	0.005867218	1.111388130 Hartree
120	C5 Ryd(3p)	0.000235867	0.971774319 Hartree
121	C5 Ryd(5p)	0.000172961	3.452005802 Hartree
122	C5 Val(2p)	1.086537139	0.041796459 Hartree
123	C5 Ryd(4p)	0.002819718	0.641319532 Hartree
124	C5 Ryd(3p)	0.000740840	0.549849863 Hartree
125	C5 Ryd(5p)	0.000025341	2.850525119 Hartree
126	C5 Ryd(3d)	0.000875861	2.239061322 Hartree
127	C5 Ryd(4d)	0.000641920	3.818425137 Hartree
128	C5 Ryd(3d)	0.000411518	1.400066552 Hartree
129	C5 Ryd(4d)	0.000042359	3.235140084 Hartree
130	C5 Ryd(3d)	0.000315357	1.482615648 Hartree
131	C5 Ryd(4d)	0.000114417	3.311345097 Hartree
132	C5 Ryd(3d)	0.001320863	2.261672045 Hartree
133	C5 Ryd(4d)	0.000318352	3.833644583 Hartree
134	C5 Ryd(3d)	0.001401394	1.999269602 Hartree
135	C5 Ryd(4d)	0.000034858	3.587982028 Hartree
136	C6 Cor(1S)	1.999087650	-9.940328680 Hartree
137	C6 Val(2S)	0.823109100	0.047364766 Hartree
138	C6 Ryd(4S)	0.003521555	1.483359230 Hartree
139	C6 Ryd(3S)	0.000026618	0.548580093 Hartree
140	C6 Ryd(5S)	0.000021661	21.348896734 Hartree
141	C6 Val(2p)	1.049308562	0.114137215 Hartree
142	C6 Ryd(4p)	0.004115654	1.603439109 Hartree
143	C6 Ryd(3p)	0.000322356	0.517912076 Hartree
144	C6 Ryd(5p)	0.000236046	2.589969439 Hartree
145	C6 Val(2p)	0.841129266	0.151970698 Hartree
146	C6 Ryd(4p)	0.017722669	1.338344385 Hartree
147	C6 Ryd(3p)	0.000400649	0.628504588 Hartree
148	C6 Ryd(5p)	0.000083962	3.173577079 Hartree
149	C6 Val(2p)	0.845334656	0.064380291 Hartree
150	C6 Ryd(4p)	0.001024690	0.875550687 Hartree
151	C6 Ryd(3p)	0.000435632	0.438281502 Hartree
152	C6 Ryd(5p)	0.000137526	2.742836444 Hartree
153	C6 Ryd(3d)	0.001843152	3.152156202 Hartree
154	C6 Ryd(4d)	0.000275037	3.186626220 Hartree
155	C6 Ryd(4d)	0.000215776	2.736394898 Hartree
156	C6 Ryd(3d)	0.000035550	2.133197801 Hartree
157	C6 Ryd(4d)	0.001529086	2.807161838 Hartree
158	C6 Ryd(3d)	0.000172570	2.134576917 Hartree
159	C6 Ryd(4d)	0.000935916	3.206943449 Hartree
160	C6 Ryd(3d)	0.000756733	3.135809734 Hartree
161	C6 Ryd(4d)	0.000439850	3.052725882 Hartree
162	C6 Ryd(3d)	0.000268613	2.475142513 Hartree
163	C7 Cor(1S)	1.999065028	-9.868825726 Hartree
164	C7 Val(2S)	0.969306270	-0.018802469 Hartree
165	C7 Ryd(4S)	0.002606751	1.277079494 Hartree
166	C7 Ryd(3S)	0.000109174	0.767290556 Hartree
167	C7 Ryd(5S)	0.000011871	22.152568094 Hartree
168	C7 Val(2p)	1.128461635	0.098728190 Hartree
169	C7 Ryd(4p)	0.004812351	1.186978049 Hartree
170	C7 Ryd(3p)	0.000636310	0.921841689 Hartree
171	C7 Ryd(5p)	0.000140182	3.353477505 Hartree
172	C7 Val(2p)	1.096603975	0.104076735 Hartree
173	C7 Ryd(4p)	0.006183599	1.155149781 Hartree
174	C7 Ryd(3p)	0.000278583	0.997951490 Hartree
175	C7 Ryd(5p)	0.000151508	3.368880671 Hartree
176	C7 Val(2p)	1.098873758	0.039502792 Hartree
177	C7 Ryd(4p)	0.003616467	0.629221781 Hartree
178	C7 Ryd(3p)	0.000735667	0.591539532 Hartree
179	C7 Ryd(5p)	0.000027142	2.815867284 Hartree
180	C7 Ryd(3d)	0.000842097	2.270689496 Hartree
181	C7 Ryd(4d)	0.000700017	3.853390935 Hartree
182	C7 Ryd(3d)	0.000346590	1.403784159 Hartree
183	C7 Ryd(4d)	0.000042571	3.255704098 Hartree
184	C7 Ryd(3d)	0.000365112	1.447312249 Hartree
185	C7 Ryd(4d)	0.000171452	3.301687276 Hartree
186	C7 Ryd(3d)	0.001331456	2.191509740 Hartree
187	C7 Ryd(4d)	0.000215322	3.799148166 Hartree
188	C7 Ryd(3d)	0.001449929	1.987553209 Hartree
189	C7 Ryd(4d)	0.000033334	3.593408761 Hartree
190	C8 Cor(1S)	1.999098282	-9.885354952 Hartree
191	C8 Val(2S)	0.935576129	-0.012647943 Hartree
192	C8 Ryd(4S)	0.001222827	1.389515699 Hartree
193	C8 Ryd(3S)	0.000147518	1.023615676 Hartree
194	C8 Ryd(5S)	0.000020052	21.587186447 Hartree
195	C8 Val(2p)	1.130296592	0.099287667 Hartree
196	C8 Ryd(4p)	0.005811159	1.154432050 Hartree
197	C8 Ryd(3p)	0.000352552	0.661877079 Hartree
198	C8 Ryd(5p)	0.000080364	3.610498023 Hartree
199	C8 Val(2p)	1.095861448	0.091049599 Hartree
200	C8 Ryd(4p)	0.003000437	1.251030074 Hartree
201	C8 Ryd(3p)	0.000416458	0.806266583 Hartree
202	C8 Ryd(5p)	0.000177745	3.627293746 Hartree
203	C8 Val(2p)	0.993827276	0.032418478 Hartree
204	C8 Ryd(4p)	0.001182046	0.641992572 Hartree
205	C8 Ryd(3p)	0.000602888	0.474965202 Hartree
206	C8 Ryd(5p)	0.000015634	2.941339106 Hartree
207	C8 Ryd(3d)	0.000701970	2.420766719 Hartree
208	C8 Ryd(4d)	0.000547992	3.701048639 Hartree
209	C8 Ryd(3d)	0.000238178	1.692881423 Hartree
210	C8 Ryd(4d)	0.000094804	2.952479173 Hartree
211	C8 Ryd(3d)	0.000539409	1.743030066 Hartree
212	C8 Ryd(4d)	0.000131792	3.027736573 Hartree
213	C8 Ryd(3d)	0.000674996	2.506087216 Hartree
214	C8 Ryd(4d)	0.000471667	3.688693481 Hartree
215	C8 Ryd(3d)	0.001270978	2.152454785 Hartree
216	C8 Ryd(4d)	0.000163782	3.353837126 Hartree
217	H9 Val(1S)	0.817024205	0.172750583 Hartree
218	H9 Ryd(2S)	0.001080679	1.344383670 Hartree
219	H9 Ryd(3S)	0.000174718	1.923118345 Hartree
220	H9 Ryd(2p)	0.000412887	3.031984701 Hartree
221	H9 Ryd(2p)	0.000104885	2.797586469 Hartree
222	H9 Ryd(2p)	0.000219688	2.057005762 Hartree
223	H10 Val(1S)	0.810828051	0.188526238 Hartree
224	H10 Ryd(2S)	0.003427945	0.499084353 Hartree
225	H10 Ryd(3S)	0.000181576	2.468185697 Hartree
226	H10 Ryd(2p)	0.000208316	2.958979931 Hartree
227	H10 Ryd(2p)	0.000139865	2.877538002 Hartree
228	H10 Ryd(2p)	0.000261842	2.085858302 Hartree
229	O11 Cor(1S)	1.999786763	-18.661029153 Hartree
230	O11 Val(2S)	1.702902978	-0.686351519 Hartree
231	O11 Ryd(3S)	0.000377987	1.613478192 Hartree
232	O11 Ryd(4S)	0.000127112	1.702267209 Hartree
233	O11 Ryd(5S)	0.000000290	49.855194248 Hartree
234	O11 Val(2p)	1.900152215	-0.070428975 Hartree
235	O11 Ryd(3p)	0.005711907	0.753912726 Hartree
236	O11 Ryd(4p)	0.000028698	1.894539402 Hartree
237	O11 Ryd(5p)	0.000003566	5.180852561 Hartree
238	O11 Val(2p)	1.553536717	-0.101027761 Hartree
239	O11 Ryd(3p)	0.001049689	0.692155567 Hartree
240	O11 Ryd(4p)	0.000158068	2.035592865 Hartree
241	O11 Ryd(5p)	0.000050310	5.175485372 Hartree
242	O11 Val(2p)	1.553976525	-0.063616715 Hartree
243	O11 Ryd(3p)	0.001599984	0.605561164 Hartree
244	O11 Ryd(4p)	0.000055361	1.491681465 Hartree
245	O11 Ryd(5p)	0.000007038	4.972498833 Hartree
246	O11 Ryd(3d)	0.005064084	2.108917934 Hartree
247	O11 Ryd(4d)	0.000086157	7.270617970 Hartree
248	O11 Ryd(3d)	0.000078875	1.768217280 Hartree
249	O11 Ryd(4d)	0.000002415	6.988285826 Hartree
250	O11 Ryd(3d)	0.004082696	1.980246150 Hartree
251	O11 Ryd(4d)	0.000026250	7.167870195 Hartree
252	O11 Ryd(3d)	0.005176621	2.177097614 Hartree
253	O11 Ryd(4d)	0.000020631	7.175226206 Hartree
254	O11 Ryd(3d)	0.001604876	1.949398851 Hartree
255	O11 Ryd(4d)	0.000010594	7.090219841 Hartree
256	H12 Val(1S)	0.810266451	0.192312297 Hartree
257	H12 Ryd(2S)	0.003242869	0.503948319 Hartree
258	H12 Ryd(3S)	0.000187361	2.465338529 Hartree
259	H12 Ryd(2p)	0.000246766	3.009039399 Hartree
260	H12 Ryd(2p)	0.000105370	2.830331323 Hartree
261	H12 Ryd(2p)	0.000255674	2.088256971 Hartree
262	H13 Val(1S)	0.792630485	0.200036077 Hartree
263	H13 Ryd(2S)	0.001315139	1.428231670 Hartree
264	H13 Ryd(3S)	0.000185156	1.876009906 Hartree
265	H13 Ryd(2p)	0.000319198	2.960903956 Hartree
266	H13 Ryd(2p)	0.000204668	2.869246410 Hartree
267	H13 Ryd(2p)	0.000187169	2.077511680 Hartree
268	O14 Cor(1S)	1.999768095	-18.693880032 Hartree
269	O14 Val(2S)	1.698644881	-0.731278821 Hartree
270	O14 Ryd(4S)	0.001142812	1.816434342 Hartree
271	O14 Ryd(3S)	0.000117939	1.324303348 Hartree
272	O14 Ryd(5S)	0.000000147	49.700073503 Hartree
273	O14 Val(2p)	1.693063548	-0.134349129 Hartree
274	O14 Ryd(3p)	0.002768599	0.768986416 Hartree
275	O14 Ryd(4p)	0.000102183	1.312643546 Hartree
276	O14 Ryd(5p)	0.000047235	5.528375420 Hartree
277	O14 Val(2p)	1.777854779	-0.124730182 Hartree
278	O14 Ryd(3p)	0.003437663	0.905611448 Hartree
279	O14 Ryd(4p)	0.000035822	1.270459566 Hartree
280	O14 Ryd(5p)	0.000031555	5.422857549 Hartree
281	O14 Val(2p)	1.478626707	-0.100376529 Hartree
282	O14 Ryd(3p)	0.001942786	0.658602759 Hartree
283	O14 Ryd(4p)	0.000060869	1.070712585 Hartree
284	O14 Ryd(5p)	0.000009810	5.164277744 Hartree
285	O14 Ryd(3d)	0.005373725	2.164165871 Hartree
286	O14 Ryd(4d)	0.000025591	7.153722896 Hartree
287	O14 Ryd(3d)	0.003482534	1.728308896 Hartree
288	O14 Ryd(4d)	0.000037593	6.986320712 Hartree
289	O14 Ryd(3d)	0.001602847	1.695430952 Hartree
290	O14 Ryd(4d)	0.000007707	6.948651710 Hartree
291	O14 Ryd(3d)	0.004944975	1.990742132 Hartree
292	O14 Ryd(4d)	0.000084725	7.160705358 Hartree
293	O14 Ryd(3d)	0.001786846	1.895634514 Hartree
294	O14 Ryd(4d)	0.000008955	7.037515549 Hartree
295	H15 Val(1S)	0.792772528	0.152939608 Hartree
296	H15 Ryd(2S)	0.002130363	1.007824060 Hartree
297	H15 Ryd(3S)	0.000107179	1.985689911 Hartree
298	H15 Ryd(2p)	0.000120877	2.150894318 Hartree
299	H15 Ryd(2p)	0.000248587	2.946822376 Hartree
300	H15 Ryd(2p)	0.000100663	2.013155117 Hartree
301	H16 Val(1S)	0.797146048	0.136598834 Hartree
302	H16 Ryd(2S)	0.001190720	0.765537576 Hartree
303	H16 Ryd(3S)	0.000095843	2.287434659 Hartree
304	H16 Ryd(2p)	0.000158171	2.357966267 Hartree
305	H16 Ryd(2p)	0.000127347	2.130763064 Hartree
306	H16 Ryd(2p)	0.000188283	2.624218137 Hartree
307	H17 Val(1S)	0.797146048	0.136598834 Hartree
308	H17 Ryd(2S)	0.001190720	0.765537576 Hartree
309	H17 Ryd(3S)	0.000095843	2.287434659 Hartree
310	H17 Ryd(2p)	0.000158171	2.357966267 Hartree
311	H17 Ryd(2p)	0.000127347	2.130763064 Hartree
312	H17 Ryd(2p)	0.000188283	2.624218137 Hartree

Natural Hybrid Orbitals

Display Range		- / 312
Orbital	Description	Occupancy	Energy	Actions
1	BD(1)C1(C2) 1s(28.96%)p2.45(70.93%)d0.00(0.11%)	1.067654223	-0.005638486 Hartree
2	BD(1)C2(C1) 2s(31.42%)p2.18(68.54%)d0.00(0.04%)	0.980104994	0.018755645 Hartree
3	BD(1)C1(H15) 1s(23.98%)p3.17(75.94%)d0.00(0.07%)	1.202534661	-0.018404389 Hartree
4	BD(1)H15(C1) 15s(99.98%)p0.00(0.02%)	0.792975586	0.154757816 Hartree
5	BD(1)C1(H16) 1s(23.51%)p3.25(76.39%)d0.00(0.09%)	1.189585835	-0.024337684 Hartree
6	BD(1)H16(C1) 16s(99.98%)p0.00(0.02%)	0.797325055	0.138131882 Hartree
7	BD(1)C1(H17) 1s(23.51%)p3.25(76.39%)d0.00(0.09%)	1.189585835	-0.024337684 Hartree
8	BD(1)H17(C1) 17s(99.98%)p0.00(0.02%)	0.797325055	0.138131882 Hartree
9	BD(1)C2(C3) 2s(38.17%)p1.62(61.78%)d0.00(0.05%)	0.986235011	0.074886543 Hartree
10	BD(1)C3(C2) 3s(32.84%)p2.04(67.10%)d0.00(0.06%)	1.046048189	0.053359535 Hartree
11	BD(1)C2(O14) 2s(30.33%)p2.29(69.57%)d0.00(0.10%)	0.701435322	0.160952203 Hartree
12	BD(1)O14(C2) 14s(41.51%)p1.40(58.07%)d0.01(0.42%)	1.305067516	-0.331060526 Hartree
13	BD(2)C2(O14) 2s(0.00%)p1.00(99.86%)d0.00(0.14%)	0.789868443	0.035935211 Hartree
14	BD(2)O14(C2) 14s(0.00%)p1.00(99.67%)d0.00(0.33%)	1.483561557	-0.101857691 Hartree
15	BD(1)C3(C4) 3s(33.30%)p2.00(66.62%)d0.00(0.08%)	1.020051596	0.077594388 Hartree
16	BD(1)C4(C3) 4s(34.69%)p1.88(65.21%)d0.00(0.10%)	0.973823997	0.099214169 Hartree
17	BD(1)C3(C8) 3s(33.75%)p1.96(66.15%)d0.00(0.09%)	1.014779583	0.077578452 Hartree
18	BD(1)C8(C3) 8s(35.33%)p1.83(64.58%)d0.00(0.09%)	0.981502417	0.090544989 Hartree
19	BD(1)C4(C5) 4s(37.40%)p1.67(62.49%)d0.00(0.11%)	1.005419292	0.093645418 Hartree
20	BD(1)C5(C4) 5s(37.79%)p1.64(62.10%)d0.00(0.11%)	0.988723673	0.108074189 Hartree
21	BD(2)C4(C5) 4s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.961517235	0.041544950 Hartree
22	BD(2)C5(C4) 5s(0.00%)p1.00(99.96%)d0.00(0.04%)	1.089002906	0.040098613 Hartree
23	BD(1)C4(H13) 4s(27.82%)p2.59(72.14%)d0.00(0.04%)	1.200762639	0.024567718 Hartree
24	BD(1)H13(C4) 13s(99.95%)p0.00(0.05%)	0.793009656	0.202999137 Hartree
25	BD(1)C5(C6) 5s(33.85%)p1.95(66.02%)d0.00(0.12%)	1.031752800	0.072421003 Hartree
26	BD(1)C6(C5) 6s(34.36%)p1.91(65.59%)d0.00(0.05%)	1.000338811	0.080853672 Hartree
27	BD(1)C5(H12) 5s(28.24%)p2.54(71.70%)d0.00(0.06%)	1.185147252	0.031863909 Hartree
28	BD(1)H12(C5) 12s(99.97%)p0.00(0.03%)	0.810482327	0.195175170 Hartree
29	BD(1)C6(C7) 6s(34.37%)p1.91(65.58%)d0.00(0.05%)	0.997704387	0.081866288 Hartree
30	BD(1)C7(C6) 7s(33.98%)p1.94(65.90%)d0.00(0.12%)	1.033607059	0.070828554 Hartree
31	BD(1)C6(O11) 6s(31.00%)p2.22(68.91%)d0.00(0.09%)	0.722679847	0.167996265 Hartree
32	BD(1)O11(C6) 11s(39.61%)p1.51(59.98%)d0.01(0.41%)	1.283363846	-0.273033469 Hartree
33	BD(2)C6(O11) 6s(0.00%)p1.00(99.87%)d0.00(0.13%)	0.845605647	0.064462634 Hartree
34	BD(2)O11(C6) 11s(0.00%)p1.00(99.73%)d0.00(0.27%)	1.558075607	-0.065477742 Hartree
35	BD(1)C7(C8) 7s(37.68%)p1.65(62.21%)d0.00(0.11%)	0.984556373	0.106108906 Hartree
36	BD(1)C8(C7) 8s(37.40%)p1.67(62.49%)d0.00(0.11%)	1.009595445	0.086225884 Hartree
37	BD(2)C7(C8) 7s(0.00%)p1.00(99.97%)d0.00(0.03%)	1.101360847	0.038031139 Hartree
38	BD(2)C8(C7) 8s(0.00%)p1.00(99.97%)d0.00(0.03%)	0.994907757	0.031504452 Hartree
39	BD(1)C7(H10) 7s(28.25%)p2.54(71.69%)d0.00(0.06%)	1.184131877	0.029459416 Hartree
40	BD(1)H10(C7) 10s(99.97%)p0.00(0.03%)	0.811044318	0.191341965 Hartree
41	BD(1)C8(H9) 8s(27.16%)p2.68(72.80%)d0.00(0.04%)	1.176100209	0.019066481 Hartree
42	BD(1)H9(C8) 9s(99.95%)p0.00(0.05%)	0.817425771	0.175423096 Hartree
43	CR(1)C1 s(100.00%)p0.00(0.00%)	1.999288224	-9.907684723 Hartree
44	CR(1)C2 s(100.00%)p0.00(0.00%)	1.999192509	-9.979674124 Hartree
45	CR(1)C3 s(100.00%)	1.998907338	-9.871362365 Hartree
46	CR(1)C4 s(100.00%)p0.00(0.00%)	1.999089552	-9.877447492 Hartree
47	CR(1)C5 s(100.00%)p0.00(0.00%)	1.999060575	-9.867956956 Hartree
48	CR(1)C6 s(100.00%)	1.999088331	-9.940266385 Hartree
49	CR(1)C7 s(100.00%)p0.00(0.00%)	1.999066020	-9.869167995 Hartree
50	CR(1)C8 s(100.00%)p0.00(0.00%)	1.999100718	-9.885619160 Hartree
51	CR(1)O11 s(100.00%)p0.00(0.00%)	1.999785321	-18.662252267 Hartree
52	CR(1)O14 s(100.00%)p0.00(0.00%)	1.999766441	-18.695162718 Hartree
53	LP(1)C3 s(0.00%)p1.00(99.98%)d0.00(0.02%)	1.172708021	0.040556185 Hartree
54	LP(1)O11 s(60.36%)p0.66(39.57%)d0.00(0.07%)	1.978573463	-0.509645904 Hartree
55	LP(2)O11 s(0.00%)p1.00(99.74%)d0.00(0.26%)	1.908336248	-0.074044178 Hartree
56	LP(1)O14 s(58.39%)p0.71(41.53%)d0.00(0.08%)	1.978751206	-0.541457159 Hartree
57	LP(2)O14 s(0.08%)p99.99(99.67%)d3.35(0.25%)	1.899377137	-0.114171546 Hartree
58	RY*(1)C1 s(12.01%)p6.90(82.88%)d0.42(5.11%)	0.002614462	0.971504217 Hartree
59	RY*(2)C1 s(17.17%)p3.18(54.62%)d1.64(28.21%)	0.001611445	0.770606716 Hartree
60	RY*(3)C1 s(0.00%)p1.00(28.49%)d2.51(71.51%)	0.000986194	0.853856750 Hartree
61	RY*(4)C1 s(27.86%)p1.49(41.53%)d1.10(30.62%)	0.000795989	1.097129387 Hartree
62	RY*(5)C1 s(10.21%)p5.36(54.76%)d3.43(35.03%)	0.000231369	0.996869858 Hartree
63	RY*(6)C1 s(0.00%)p1.00(22.89%)d3.37(77.11%)	0.000171568	1.681551592 Hartree
64	RY*(7)C1 s(18.44%)p1.96(36.10%)d2.47(45.46%)	0.000159469	1.886827244 Hartree
65	RY*(8)C1 s(16.18%)p4.39(71.05%)d0.79(12.77%)	0.000063955	2.564395628 Hartree
66	RY*(9)C1 s(0.00%)p1.00(48.10%)d1.08(51.90%)	0.000037803	1.167348749 Hartree
67	RY*(10)C1 s(26.16%)p0.91(23.72%)d1.92(50.12%)	0.000039999	0.916519010 Hartree
68	RY*(11)C1 s(0.00%)p1.00(57.20%)d0.75(42.80%)	0.000009197	1.052147052 Hartree
69	RY*(12)C1 s(0.00%)p1.00(99.34%)d0.01(0.66%)	0.000000079	3.069319948 Hartree
70	RY*(13)C1 s(98.94%)p0.01(1.01%)d0.00(0.05%)	0.000000143	23.004285583 Hartree
71	RY*(14)C1 s(0.51%)p3.23(1.63%)d99.99(97.86%)	0.000001741	3.635616056 Hartree
72	RY*(15)C1 s(45.11%)p1.21(54.68%)d0.00(0.20%)	0.000006312	1.122135637 Hartree
73	RY*(16)C1 s(0.00%)p1.00(34.76%)d1.88(65.24%)	0.000000202	2.470680815 Hartree
74	RY*(17)C1 s(15.85%)p3.08(48.87%)d2.23(35.28%)	0.000009423	1.237336293 Hartree
75	RY*(18)C1 s(0.00%)p1.00(9.34%)d9.70(90.66%)	0.000001364	3.211254082 Hartree
76	RY*(19)C1 s(9.95%)p8.86(88.15%)d0.19(1.90%)	0.000005542	2.866951295 Hartree
77	RY*(20)C1 s(0.44%)p4.55(2.00%)d99.99(97.55%)	0.000001537	3.644463513 Hartree
78	RY*(21)C1 s(1.19%)p29.35(35.04%)d53.42(63.77%)	0.000004810	1.252402703 Hartree
79	RY*(22)C1 s(0.01%)p99.99(4.15%)d99.99(95.84%)	0.000001926	3.466287016 Hartree
80	RY*(1)C2 s(11.16%)p7.94(88.55%)d0.03(0.29%)	0.015644632	1.115282806 Hartree
81	RY*(2)C2 s(2.33%)p34.12(79.34%)d7.88(18.33%)	0.004356702	1.796987286 Hartree
82	RY*(3)C2 s(8.99%)p5.24(47.12%)d4.88(43.89%)	0.002105442	2.049053981 Hartree
83	RY*(4)C2 s(0.00%)p1.00(24.84%)d3.03(75.16%)	0.001890416	2.081708372 Hartree
84	RY*(5)C2 s(0.00%)p1.00(62.49%)d0.60(37.51%)	0.001474768	1.393949689 Hartree
85	RY*(6)C2 s(32.42%)p1.10(35.74%)d0.98(31.84%)	0.000788102	1.743126546 Hartree
86	RY*(7)C2 s(10.73%)p6.61(70.98%)d1.70(18.28%)	0.000304551	1.877638987 Hartree
87	RY*(8)C2 s(44.50%)p0.72(32.02%)d0.53(23.48%)	0.000313290	2.190495583 Hartree
88	RY*(9)C2 s(0.00%)p1.00(16.19%)d5.18(83.81%)	0.000122626	1.980147992 Hartree
89	RY*(10)C2 s(17.90%)p0.86(15.38%)d3.73(66.72%)	0.000132347	4.776301993 Hartree
90	RY*(11)C2 s(13.86%)p2.88(39.93%)d3.33(46.21%)	0.000056608	4.020671436 Hartree
91	RY*(12)C2 s(50.32%)p0.63(31.72%)d0.36(17.95%)	0.000033266	3.995005837 Hartree
92	RY*(13)C2 s(15.02%)p2.73(41.00%)d2.93(43.97%)	0.000025183	5.489716418 Hartree
93	RY*(14)C2 s(4.94%)p9.62(47.57%)d9.60(47.48%)	0.000005544	2.963629530 Hartree
94	RY*(15)C2 s(54.52%)p0.02(1.10%)d0.81(44.38%)	0.000002215	11.026910107 Hartree
95	RY*(16)C2 s(0.00%)p1.00(0.06%)d99.99(99.94%)	0.000002689	3.002988371 Hartree
96	RY*(17)C2 s(0.00%)p1.00(95.39%)d0.05(4.61%)	0.000000474	0.525557199 Hartree
97	RY*(18)C2 s(0.00%)p1.00(1.19%)d83.13(98.81%)	0.000000388	3.168507472 Hartree
98	RY*(19)C2 s(0.00%)p1.00(100.00%)d0.00(0.00%)	0.000000680	2.942888853 Hartree
99	RY*(20)C2 s(0.34%)p19.50(6.60%)d99.99(93.06%)	0.000003295	3.291065277 Hartree
100	RY*(21)C2 s(16.07%)p2.59(41.60%)d2.63(42.33%)	0.000006055	4.692741683 Hartree
101	RY*(22)C2 s(16.98%)p1.26(21.44%)d3.63(61.58%)	0.000007389	2.758086592 Hartree
102	RY*(1)C3 s(1.52%)p59.26(90.01%)d5.58(8.47%)	0.006391652	1.576913146 Hartree
103	RY*(2)C3 s(2.14%)p42.40(90.86%)d3.26(6.99%)	0.004652546	1.498574700 Hartree
104	RY*(3)C3 s(0.00%)p1.00(87.39%)d0.14(12.61%)	0.002642693	0.722610160 Hartree
105	RY*(4)C3 s(57.60%)p0.19(11.04%)d0.54(31.37%)	0.001111502	1.535170982 Hartree
106	RY*(5)C3 s(15.84%)p1.36(21.49%)d3.96(62.67%)	0.000597619	2.209671244 Hartree
107	RY*(6)C3 s(1.75%)p18.37(32.17%)d37.74(66.08%)	0.000476436	2.543907991 Hartree
108	RY*(7)C3 s(0.00%)p1.00(3.35%)d28.87(96.65%)	0.000332726	3.115758934 Hartree
109	RY*(8)C3 s(10.18%)p5.24(53.39%)d3.58(36.42%)	0.000312116	1.707544026 Hartree
110	RY*(9)C3 s(0.00%)p1.00(14.14%)d6.07(85.86%)	0.000262860	2.470102065 Hartree
111	RY*(10)C3 s(5.99%)p1.82(10.91%)d13.87(83.10%)	0.000135307	2.442517535 Hartree
112	RY*(11)C3 s(9.19%)p6.02(55.36%)d3.86(35.45%)	0.000099444	3.012772180 Hartree
113	RY*(12)C3 s(43.55%)p0.79(34.26%)d0.51(22.20%)	0.000074251	2.384613226 Hartree
114	RY*(13)C3 s(0.00%)p1.00(12.84%)d6.79(87.16%)	0.000062219	1.406122305 Hartree
115	RY*(14)C3 s(9.09%)p0.96(8.77%)d9.04(82.14%)	0.000055300	3.474030807 Hartree
116	RY*(15)C3 s(28.22%)p2.01(56.69%)d0.53(15.08%)	0.000048531	3.179776481 Hartree
117	RY*(16)C3 s(10.15%)p4.88(49.55%)d3.97(40.30%)	0.000034865	2.748190744 Hartree
118	RY*(17)C3 s(3.02%)p26.75(80.75%)d5.38(16.23%)	0.000016058	2.347057284 Hartree
119	RY*(18)C3 s(0.00%)p1.00(12.37%)d7.08(87.63%)	0.000007686	2.390184104 Hartree
120	RY*(19)C3 s(0.00%)p1.00(96.91%)d0.03(3.09%)	0.000000897	2.951116289 Hartree
121	RY*(20)C3 s(95.33%)p0.03(3.15%)d0.02(1.52%)	0.000002829	19.490743383 Hartree
122	RY*(21)C3 s(0.00%)p1.00(73.03%)d0.37(26.97%)	0.000001353	0.662203190 Hartree
123	RY*(22)C3 s(6.55%)p0.26(1.73%)d14.01(91.73%)	0.000001131	3.544738392 Hartree
124	RY*(1)C4 s(0.20%)p99.99(92.37%)d37.21(7.43%)	0.006463095	1.432335904 Hartree
125	RY*(2)C4 s(1.57%)p61.44(96.44%)d1.27(1.99%)	0.003300158	1.227700434 Hartree
126	RY*(3)C4 s(0.00%)p1.00(72.97%)d0.37(27.03%)	0.001512648	1.164300523 Hartree
127	RY*(4)C4 s(73.23%)p0.05(3.81%)d0.31(22.96%)	0.000903166	1.587570548 Hartree
128	RY*(5)C4 s(0.47%)p47.73(22.26%)d99.99(77.28%)	0.000380894	2.764603748 Hartree
129	RY*(6)C4 s(0.00%)p1.00(9.73%)d9.28(90.27%)	0.000366678	1.527890662 Hartree
130	RY*(7)C4 s(16.93%)p2.84(48.13%)d2.06(34.94%)	0.000300074	1.654081577 Hartree
131	RY*(8)C4 s(9.81%)p4.09(40.12%)d5.11(50.08%)	0.000262763	1.900899477 Hartree
132	RY*(9)C4 s(0.00%)p1.00(50.07%)d1.00(49.93%)	0.000110512	2.000681565 Hartree
133	RY*(10)C4 s(4.10%)p5.62(23.03%)d17.79(72.87%)	0.000118264	3.885770414 Hartree
134	RY*(11)C4 s(19.43%)p1.28(24.80%)d2.87(55.77%)	0.000088563	1.929437745 Hartree
135	RY*(12)C4 s(13.60%)p3.67(49.87%)d2.69(36.53%)	0.000059659	2.546978749 Hartree
136	RY*(13)C4 s(0.00%)p1.00(60.33%)d0.66(39.67%)	0.000033126	1.094579632 Hartree
137	RY*(14)C4 s(54.00%)p0.65(35.23%)d0.20(10.76%)	0.000040356	5.234594997 Hartree
138	RY*(15)C4 s(4.59%)p12.05(55.31%)d8.73(40.10%)	0.000027567	1.753385982 Hartree
139	RY*(16)C4 s(0.00%)p1.00(2.08%)d47.00(97.92%)	0.000000969	2.650153152 Hartree
140	RY*(17)C4 s(0.00%)p1.00(97.38%)d0.03(2.62%)	0.000000061	3.005622929 Hartree
141	RY*(18)C4 s(0.00%)p1.00(7.48%)d12.37(92.52%)	0.000001700	2.036293038 Hartree
142	RY*(19)C4 s(7.22%)p9.11(65.75%)d3.74(27.03%)	0.000010001	3.196415780 Hartree
143	RY*(20)C4 s(80.62%)p0.10(8.09%)d0.14(11.29%)	0.000005452	16.480023949 Hartree
144	RY*(21)C4 s(11.89%)p2.29(27.25%)d5.12(60.86%)	0.000003429	3.703081669 Hartree
145	RY*(22)C4 s(2.44%)p3.15(7.69%)d36.81(89.87%)	0.000001918	3.573423939 Hartree
146	RY*(1)C5 s(0.95%)p91.99(87.28%)d12.40(11.77%)	0.005539076	1.552653731 Hartree
147	RY*(2)C5 s(4.19%)p22.25(93.18%)d0.63(2.63%)	0.003107183	1.106409555 Hartree
148	RY*(3)C5 s(0.00%)p1.00(98.41%)d0.02(1.59%)	0.001436817	0.617483798 Hartree
149	RY*(4)C5 s(82.31%)p0.14(11.55%)d0.07(6.14%)	0.001253886	1.297964409 Hartree
150	RY*(5)C5 s(1.77%)p7.75(13.68%)d47.86(84.55%)	0.000538467	2.203529693 Hartree
151	RY*(6)C5 s(0.00%)p1.00(9.94%)d9.06(90.06%)	0.000340031	1.331796207 Hartree
152	RY*(7)C5 s(3.11%)p15.09(46.92%)d16.07(49.97%)	0.000310667	3.088066207 Hartree
153	RY*(8)C5 s(0.00%)p1.00(5.39%)d17.55(94.61%)	0.000212614	2.328143395 Hartree
154	RY*(9)C5 s(26.52%)p1.73(45.87%)d1.04(27.61%)	0.000146967	2.156222648 Hartree
155	RY*(10)C5 s(2.41%)p11.31(27.25%)d29.19(70.34%)	0.000043180	3.677130430 Hartree
156	RY*(11)C5 s(2.67%)p6.09(16.26%)d30.39(81.08%)	0.000050579	2.219833246 Hartree
157	RY*(12)C5 s(53.60%)p0.76(40.54%)d0.11(5.86%)	0.000015871	2.734755410 Hartree
158	RY*(13)C5 s(13.11%)p3.02(39.53%)d3.61(47.36%)	0.000020111	2.898559244 Hartree
159	RY*(14)C5 s(6.18%)p11.90(73.55%)d3.28(20.27%)	0.000011167	2.715854164 Hartree
160	RY*(15)C5 s(1.17%)p77.25(90.67%)d6.95(8.15%)	0.000004049	0.918497211 Hartree
161	RY*(16)C5 s(0.00%)p1.00(12.22%)d7.19(87.78%)	0.000001662	2.677655570 Hartree
162	RY*(17)C5 s(0.00%)p1.00(72.90%)d0.37(27.10%)	0.000002849	1.101804624 Hartree
163	RY*(18)C5 s(0.00%)p1.00(1.78%)d55.28(98.22%)	0.000007603	2.490527976 Hartree
164	RY*(19)C5 s(0.00%)p1.00(99.40%)d0.01(0.60%)	0.000002208	2.925148172 Hartree
165	RY*(20)C5 s(7.42%)p1.05(7.81%)d11.43(84.77%)	0.000002657	3.632406237 Hartree
166	RY*(21)C5 s(91.85%)p0.06(5.14%)d0.03(3.01%)	0.000001954	19.120330147 Hartree
167	RY*(22)C5 s(2.86%)p0.33(0.94%)d33.62(96.20%)	0.000001451	3.616867465 Hartree
168	RY*(1)C6 s(7.15%)p12.84(91.75%)d0.15(1.10%)	0.014685779	1.263227299 Hartree
169	RY*(2)C6 s(0.00%)p1.00(84.46%)d0.18(15.54%)	0.004627937	1.988304473 Hartree
170	RY*(3)C6 s(0.00%)p1.00(13.05%)d6.66(86.95%)	0.002893083	2.148439682 Hartree
171	RY*(4)C6 s(61.25%)p0.17(10.38%)d0.46(28.37%)	0.001673028	1.563479488 Hartree
172	RY*(5)C6 s(4.21%)p8.39(35.32%)d14.37(60.47%)	0.001605508	2.492910883 Hartree
173	RY*(6)C6 s(4.83%)p1.09(5.25%)d18.61(89.92%)	0.000767530	2.325062074 Hartree
174	RY*(7)C6 s(0.00%)p1.00(2.04%)d48.08(97.96%)	0.000244503	3.349820463 Hartree
175	RY*(8)C6 s(0.27%)p99.99(33.33%)d99.99(66.40%)	0.000158817	2.514870450 Hartree
176	RY*(9)C6 s(0.00%)p1.00(78.36%)d0.28(21.64%)	0.000141655	1.384404063 Hartree
177	RY*(10)C6 s(11.94%)p0.82(9.76%)d6.56(78.30%)	0.000126923	3.876664061 Hartree
178	RY*(11)C6 s(21.26%)p0.14(2.94%)d3.57(75.81%)	0.000078573	3.583223836 Hartree
179	RY*(12)C6 s(1.12%)p64.28(71.81%)d24.24(27.08%)	0.000020622	1.583066348 Hartree
180	RY*(13)C6 s(0.06%)p99.99(72.06%)d99.99(27.88%)	0.000006840	2.627348559 Hartree
181	RY*(14)C6 s(89.35%)p0.01(1.13%)d0.11(9.52%)	0.000005785	19.072824424 Hartree
182	RY*(15)C6 s(0.73%)p99.99(93.66%)d7.68(5.61%)	0.000009486	3.312544961 Hartree
183	RY*(16)C6 s(95.19%)p0.00(0.27%)d0.05(4.54%)	0.000013045	0.697460528 Hartree
184	RY*(17)C6 s(2.66%)p32.96(87.76%)d3.60(9.58%)	0.000010626	0.756750209 Hartree
185	RY*(18)C6 s(0.00%)p1.00(10.96%)d8.12(89.04%)	0.000000005	2.145964523 Hartree
186	RY*(19)C6 s(0.00%)p1.00(95.63%)d0.05(4.37%)	0.000000161	2.811232585 Hartree
187	RY*(20)C6 s(0.00%)p1.00(0.58%)d99.99(99.42%)	0.000000028	1.445079633 Hartree
188	RY*(21)C6 s(0.25%)p0.20(0.05%)d99.99(99.70%)	0.000003173	3.766943298 Hartree
189	RY*(22)C6 s(0.00%)p1.00(99.52%)d0.00(0.48%)	0.000000403	0.582976794 Hartree
190	RY*(1)C7 s(1.14%)p77.27(88.12%)d9.42(10.74%)	0.005731865	1.531685985 Hartree
191	RY*(2)C7 s(6.29%)p14.60(91.81%)d0.30(1.90%)	0.003368222	1.090408399 Hartree
192	RY*(3)C7 s(0.00%)p1.00(96.22%)d0.04(3.78%)	0.002241940	0.650657652 Hartree
193	RY*(4)C7 s(82.67%)p0.15(12.55%)d0.06(4.78%)	0.001347522	1.283232446 Hartree
194	RY*(5)C7 s(1.33%)p10.88(14.52%)d63.06(84.15%)	0.000535271	2.278773825 Hartree
195	RY*(6)C7 s(0.00%)p1.00(7.41%)d12.49(92.59%)	0.000379002	1.295311018 Hartree
196	RY*(7)C7 s(1.79%)p24.09(43.04%)d30.87(55.17%)	0.000295776	2.998932219 Hartree
197	RY*(8)C7 s(0.00%)p1.00(6.21%)d15.12(93.79%)	0.000189706	2.499716127 Hartree
198	RY*(9)C7 s(28.80%)p1.58(45.52%)d0.89(25.68%)	0.000139380	2.036611417 Hartree
199	RY*(10)C7 s(0.56%)p33.38(18.60%)d99.99(80.84%)	0.000053825	2.270951504 Hartree
200	RY*(11)C7 s(30.12%)p1.88(56.59%)d0.44(13.29%)	0.000023935	2.711868331 Hartree
201	RY*(12)C7 s(8.72%)p2.86(24.96%)d7.61(66.32%)	0.000030028	3.027714753 Hartree
202	RY*(13)C7 s(5.02%)p8.04(40.33%)d10.89(54.65%)	0.000033399	2.986659127 Hartree
203	RY*(14)C7 s(5.09%)p1.87(9.52%)d16.77(85.39%)	0.000003082	3.645546177 Hartree
204	RY*(15)C7 s(31.75%)p1.73(55.00%)d0.42(13.25%)	0.000007051	2.391689051 Hartree
205	RY*(16)C7 s(0.00%)p1.00(20.72%)d3.83(79.28%)	0.000001821	2.240480340 Hartree
206	RY*(17)C7 s(0.96%)p97.45(93.11%)d6.21(5.93%)	0.000004618	1.055750283 Hartree
207	RY*(18)C7 s(0.00%)p1.00(2.61%)d37.38(97.39%)	0.000003669	2.519833173 Hartree
208	RY*(19)C7 s(0.00%)p1.00(67.50%)d0.48(32.50%)	0.000000459	1.363671482 Hartree
209	RY*(20)C7 s(0.00%)p1.00(99.37%)d0.01(0.63%)	0.000001313	2.876918238 Hartree
210	RY*(21)C7 s(94.48%)p0.05(4.32%)d0.01(1.21%)	0.000002391	19.909426663 Hartree
211	RY*(22)C7 s(1.39%)p1.60(2.21%)d69.52(96.40%)	0.000001699	3.635615306 Hartree
212	RY*(1)C8 s(0.26%)p99.99(91.95%)d30.55(7.80%)	0.005585802	1.405798267 Hartree
213	RY*(2)C8 s(6.66%)p13.61(90.58%)d0.41(2.76%)	0.002035521	1.570691172 Hartree
214	RY*(3)C8 s(0.00%)p1.00(59.59%)d0.68(40.41%)	0.000942302	1.333867675 Hartree
215	RY*(4)C8 s(46.32%)p0.27(12.73%)d0.88(40.95%)	0.000741419	2.078346518 Hartree
216	RY*(5)C8 s(0.00%)p1.00(19.98%)d4.01(80.02%)	0.000608303	1.683543315 Hartree
217	RY*(6)C8 s(32.78%)p1.49(48.68%)d0.57(18.54%)	0.000372669	1.653488900 Hartree
218	RY*(7)C8 s(3.35%)p6.05(20.27%)d22.78(76.38%)	0.000281555	2.036862823 Hartree
219	RY*(8)C8 s(20.39%)p0.20(4.07%)d3.70(75.54%)	0.000194121	1.884453313 Hartree
220	RY*(9)C8 s(0.00%)p1.00(35.68%)d1.80(64.32%)	0.000143654	1.415345557 Hartree
221	RY*(10)C8 s(5.41%)p2.36(12.77%)d15.12(81.82%)	0.000117759	3.675847929 Hartree
222	RY*(11)C8 s(13.61%)p4.12(56.12%)d2.22(30.27%)	0.000083872	2.266050271 Hartree
223	RY*(12)C8 s(31.00%)p0.76(23.64%)d1.46(45.35%)	0.000067397	2.643773217 Hartree
224	RY*(13)C8 s(18.23%)p3.63(66.08%)d0.86(15.70%)	0.000045130	1.758413393 Hartree
225	RY*(14)C8 s(28.99%)p1.41(40.93%)d1.04(30.09%)	0.000029153	4.844006081 Hartree
226	RY*(15)C8 s(7.37%)p10.38(76.46%)d2.20(16.17%)	0.000024397	3.901252396 Hartree
227	RY*(16)C8 s(0.00%)p1.00(2.01%)d48.74(97.99%)	0.000021434	1.925863782 Hartree
228	RY*(17)C8 s(3.40%)p12.84(43.66%)d15.56(52.94%)	0.000010765	3.291076987 Hartree
229	RY*(18)C8 s(81.46%)p0.06(4.51%)d0.17(14.03%)	0.000002549	16.450846156 Hartree
230	RY*(19)C8 s(0.00%)p1.00(7.96%)d11.57(92.04%)	0.000000075	3.310394933 Hartree
231	RY*(20)C8 s(0.00%)p1.00(77.55%)d0.29(22.45%)	0.000008423	0.799273689 Hartree
232	RY*(21)C8 s(0.00%)p1.00(97.27%)d0.03(2.73%)	0.000000078	3.007049189 Hartree
233	RY*(22)C8 s(0.90%)p8.47(7.66%)d99.99(91.43%)	0.000002049	3.455812098 Hartree
234	RY*(1)H9 s(99.00%)p0.01(1.00%)	0.001093947	1.358666042 Hartree
235	RY*(2)H9 s(0.00%)p1.00(100.00%)	0.000219688	2.057005762 Hartree
236	RY*(3)H9 s(99.26%)p0.01(0.74%)	0.000175689	1.964423442 Hartree
237	RY*(4)H9 s(0.75%)p99.99(99.25%)	0.000049254	2.761090960 Hartree
238	RY*(5)H9 s(1.04%)p95.19(98.96%)	0.000052713	3.010220227 Hartree
239	RY*(1)H10 s(99.94%)p0.00(0.06%)	0.003435549	0.503344690 Hartree
240	RY*(2)H10 s(0.00%)p1.00(100.00%)	0.000261842	2.085858302 Hartree
241	RY*(3)H10 s(90.66%)p0.10(9.34%)	0.000196102	2.515275744 Hartree
242	RY*(4)H10 s(2.42%)p40.30(97.58%)	0.000062581	2.875375674 Hartree
243	RY*(5)H10 s(7.01%)p13.27(92.99%)	0.000047202	2.906976148 Hartree
244	RY*(1)O11 s(0.00%)p1.00(98.92%)d0.01(1.08%)	0.004933642	0.841191305 Hartree
245	RY*(2)O11 s(0.00%)p1.00(97.84%)d0.02(2.16%)	0.001685501	0.714182161 Hartree
246	RY*(3)O11 s(35.19%)p1.79(62.96%)d0.05(1.86%)	0.000491955	1.327417835 Hartree
247	RY*(4)O11 s(35.46%)p1.06(37.69%)d0.76(26.85%)	0.000127191	1.801546982 Hartree
248	RY*(5)O11 s(0.27%)p38.50(10.56%)d99.99(89.17%)	0.000094267	2.845343016 Hartree
249	RY*(6)O11 s(29.99%)p1.57(47.00%)d0.77(23.01%)	0.000080150	2.944999213 Hartree
250	RY*(7)O11 s(0.00%)p1.00(0.18%)d99.99(99.82%)	0.000055123	1.908811755 Hartree
251	RY*(8)O11 s(22.07%)p0.90(19.89%)d2.63(58.04%)	0.000039223	1.868634826 Hartree
252	RY*(9)O11 s(9.11%)p8.32(75.80%)d1.65(15.08%)	0.000004065	3.876640290 Hartree
253	RY*(10)O11 s(0.16%)p99.99(88.78%)d69.16(11.06%)	0.000012287	1.440286117 Hartree
254	RY*(11)O11 s(0.00%)p1.00(99.83%)d0.00(0.17%)	0.000009106	1.493547863 Hartree
255	RY*(12)O11 s(0.00%)p1.00(99.99%)d0.00(0.01%)	0.000000693	4.967549418 Hartree
256	RY*(13)O11 s(99.81%)p0.00(0.17%)d0.00(0.02%)	0.000000020	49.774140700 Hartree
257	RY*(14)O11 s(0.00%)p1.00(2.13%)d46.00(97.87%)	0.000000508	6.705945665 Hartree
258	RY*(15)O11 s(0.10%)p99.99(99.81%)d1.02(0.10%)	0.000000955	5.381813644 Hartree
259	RY*(16)O11 s(0.00%)p1.00(0.01%)d99.99(99.99%)	0.000000008	6.844126764 Hartree
260	RY*(17)O11 s(0.00%)p1.00(0.75%)d99.99(99.25%)	0.000003060	1.985567422 Hartree
261	RY*(18)O11 s(0.00%)p1.00(1.67%)d58.91(98.33%)	0.000000047	7.062436556 Hartree
262	RY*(19)O11 s(45.28%)p1.11(50.09%)d0.10(4.63%)	0.000003926	1.888695941 Hartree
263	RY*(20)O11 s(0.02%)p20.42(0.46%)d99.99(99.52%)	0.000000168	7.086448070 Hartree
264	RY*(21)O11 s(22.09%)p0.28(6.09%)d3.25(71.82%)	0.000001556	1.841661835 Hartree
265	RY*(22)O11 s(0.48%)p0.79(0.38%)d99.99(99.14%)	0.000000473	7.050329531 Hartree
266	RY*(1)H12 s(99.94%)p0.00(0.06%)	0.003250203	0.507986115 Hartree
267	RY*(2)H12 s(0.00%)p1.00(100.00%)	0.000255674	2.088256971 Hartree
268	RY*(3)H12 s(89.87%)p0.11(10.13%)	0.000203639	2.518472789 Hartree
269	RY*(4)H12 s(2.90%)p33.50(97.10%)	0.000051787	2.813525711 Hartree
270	RY*(5)H12 s(7.32%)p12.66(92.68%)	0.000060860	2.965810083 Hartree
271	RY*(1)H13 s(97.69%)p0.02(2.31%)	0.001350509	1.456415221 Hartree
272	RY*(2)H13 s(95.70%)p0.04(4.30%)	0.000191392	1.996955661 Hartree
273	RY*(3)H13 s(0.00%)p1.00(100.00%)	0.000187169	2.077511680 Hartree
274	RY*(4)H13 s(1.54%)p63.92(98.46%)	0.000051275	2.800207353 Hartree
275	RY*(5)H13 s(5.12%)p18.55(94.88%)	0.000051814	2.877850645 Hartree
276	RY*(1)O14 s(5.90%)p15.73(92.86%)d0.21(1.24%)	0.004953958	1.003367291 Hartree
277	RY*(2)O14 s(0.00%)p1.00(95.85%)d0.04(4.15%)	0.002120313	0.856378349 Hartree
278	RY*(3)O14 s(72.31%)p0.31(22.47%)d0.07(5.21%)	0.000762558	1.494457684 Hartree
279	RY*(4)O14 s(10.96%)p6.74(73.86%)d1.39(15.18%)	0.000262391	1.149831796 Hartree
280	RY*(5)O14 s(10.82%)p1.27(13.76%)d6.97(75.42%)	0.000133844	2.375921940 Hartree
281	RY*(6)O14 s(8.24%)p3.69(30.43%)d7.45(61.33%)	0.000075578	2.191414500 Hartree
282	RY*(7)O14 s(0.00%)p1.00(33.76%)d1.96(66.24%)	0.000080090	1.516712891 Hartree
283	RY*(8)O14 s(1.48%)p21.06(31.23%)d45.38(67.28%)	0.000035282	2.301791495 Hartree
284	RY*(9)O14 s(20.47%)p3.68(75.42%)d0.20(4.11%)	0.000026238	2.414533481 Hartree
285	RY*(10)O14 s(0.42%)p99.99(77.45%)d52.35(22.13%)	0.000016883	1.980121244 Hartree
286	RY*(11)O14 s(99.96%)p0.00(0.03%)d0.00(0.01%)	0.000000043	49.694765818 Hartree
287	RY*(12)O14 s(0.00%)p1.00(99.11%)d0.01(0.89%)	0.000000199	5.141524221 Hartree
288	RY*(13)O14 s(68.32%)p0.17(11.55%)d0.29(20.13%)	0.000007543	1.708530712 Hartree
289	RY*(14)O14 s(0.15%)p30.33(4.48%)d99.99(95.37%)	0.000000538	6.641721593 Hartree
290	RY*(15)O14 s(0.00%)p1.00(40.54%)d1.47(59.46%)	0.000006307	1.422784538 Hartree
291	RY*(16)O14 s(0.00%)p1.00(3.52%)d27.38(96.48%)	0.000000509	6.702140037 Hartree
292	RY*(17)O14 s(0.00%)p1.00(26.54%)d2.77(73.46%)	0.000001467	1.731874671 Hartree
293	RY*(18)O14 s(0.00%)p1.00(1.01%)d97.56(98.99%)	0.000000410	6.882371814 Hartree
294	RY*(19)O14 s(0.05%)p99.99(88.92%)d99.99(11.03%)	0.000000806	4.661100602 Hartree
295	RY*(20)O14 s(0.04%)p69.86(2.60%)d99.99(97.36%)	0.000000360	6.653730431 Hartree
296	RY*(21)O14 s(0.90%)p83.03(74.53%)d27.37(24.57%)	0.000001624	4.288219245 Hartree
297	RY*(22)O14 s(0.01%)p1.00(1.14%)d86.78(98.86%)	0.000000129	6.890337413 Hartree
298	RY*(1)H15 s(99.01%)p0.01(0.99%)	0.002152324	1.032209302 Hartree
299	RY*(2)H15 s(72.85%)p0.37(27.15%)	0.000126707	2.221195691 Hartree
300	RY*(3)H15 s(11.24%)p7.89(88.76%)	0.000095573	2.288504316 Hartree
301	RY*(4)H15 s(0.00%)p1.00(100.00%)	0.000100663	2.013155117 Hartree
302	RY*(5)H15 s(16.92%)p4.91(83.08%)	0.000029344	2.547503148 Hartree
303	RY*(1)H16 s(97.48%)p0.03(2.52%)	0.001220839	0.841726779 Hartree
304	RY*(2)H16 s(31.26%)p2.20(68.74%)	0.000129698	2.074390228 Hartree
305	RY*(3)H16 s(10.76%)p8.29(89.24%)	0.000122716	2.186841210 Hartree
306	RY*(4)H16 s(58.19%)p0.72(41.81%)	0.000074634	2.247334884 Hartree
307	RY*(5)H16 s(2.34%)p41.75(97.66%)	0.000033471	2.814093554 Hartree
308	RY*(1)H17 s(97.48%)p0.03(2.52%)	0.001220839	0.841726779 Hartree
309	RY*(2)H17 s(31.26%)p2.20(68.74%)	0.000129698	2.074390227 Hartree
310	RY*(3)H17 s(10.76%)p8.29(89.24%)	0.000122716	2.186841210 Hartree
311	RY*(4)H17 s(58.19%)p0.72(41.81%)	0.000074634	2.247334884 Hartree
312	RY*(5)H17 s(2.34%)p41.75(97.66%)	0.000033471	2.814093554 Hartree

Natural Bond Orbitals

Display Range		- / 312
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	BD(1)C1-C2	185, 186	1.988405093	-0.486947164 Hartree
2	BD(1)C1-H15	187, 188	1.990954860	-0.385683057 Hartree
3	BD(1)C1-H16	189, 190	1.979950155	-0.390663017 Hartree
4	BD(1)C1-H17	191, 192	1.979950155	-0.390663017 Hartree
5	BD(1)C2-C3	193, 194	1.977321223	-0.527634309 Hartree
6	BD(1)C2-O14	195, 196	1.994365131	-0.892426543 Hartree
7	BD(2)C2-O14	197, 198	1.977365424	-0.218575370 Hartree
8	BD(1)C3-C4	199, 200	1.968805274	-0.517574360 Hartree
9	BD(1)C3-C8	201, 202	1.971383323	-0.527300525 Hartree
10	BD(1)C4-C5	203, 204	1.980516409	-0.562844205 Hartree
11	BD(2)C4-C5	205, 206	1.811966773	-0.107859580 Hartree
12	BD(1)C4-H13	207, 208	1.977150588	-0.360664654 Hartree
13	BD(1)C5-C6	209, 210	1.977650053	-0.498181116 Hartree
14	BD(1)C5-H12	211, 212	1.980599574	-0.357531624 Hartree
15	BD(1)C6-C7	213, 214	1.977390435	-0.499859411 Hartree
16	BD(1)C6-O11	215, 216	1.994463236	-0.827469684 Hartree
17	BD(2)C6-O11	217, 218	1.973793765	-0.175870308 Hartree
18	BD(1)C7-C8	219, 220	1.979993979	-0.564985948 Hartree
19	BD(2)C7-C8	221, 222	1.818102077	-0.112375155 Hartree
20	BD(1)C7-H10	223, 224	1.980611361	-0.359951920 Hartree
21	BD(1)C8-H9	225, 226	1.977192148	-0.376327582 Hartree
22	CR(1)C1	227	1.999288224	-9.907684723 Hartree
23	CR(1)C2	228	1.999192509	-9.979674124 Hartree
24	CR(1)C3	229	1.998907338	-9.871362365 Hartree
25	CR(1)C4	230	1.999089552	-9.877447492 Hartree
26	CR(1)C5	231	1.999060575	-9.867956956 Hartree
27	CR(1)C6	232	1.999088331	-9.940266385 Hartree
28	CR(1)C7	233	1.999066020	-9.869167995 Hartree
29	CR(1)C8	234	1.999100718	-9.885619160 Hartree
30	CR(1)O11	235	1.999785321	-18.662252267 Hartree
31	CR(1)O14	236	1.999766441	-18.695162718 Hartree
32	LP(1)C3	237	1.172708021	0.040556185 Hartree
33	LP(1)O11	238	1.978573463	-0.509645904 Hartree
34	LP(2)O11	239	1.908336248	-0.074044178 Hartree
35	LP(1)O14	240	1.978751206	-0.541457159 Hartree
36	LP(2)O14	241	1.899377137	-0.114171546 Hartree
37	RY*(1)C1	242	0.002614462	0.971504217 Hartree
38	RY*(2)C1	243	0.001611445	0.770606716 Hartree
39	RY*(3)C1	244	0.000986194	0.853856750 Hartree
40	RY*(4)C1	245	0.000795989	1.097129387 Hartree
41	RY*(5)C1	246	0.000231369	0.996869858 Hartree
42	RY*(6)C1	247	0.000171568	1.681551592 Hartree
43	RY*(7)C1	248	0.000159469	1.886827244 Hartree
44	RY*(8)C1	249	0.000063955	2.564395628 Hartree
45	RY*(9)C1	250	0.000037803	1.167348749 Hartree
46	RY*(10)C1	251	0.000039999	0.916519010 Hartree
47	RY*(11)C1	252	0.000009197	1.052147052 Hartree
48	RY*(12)C1	253	0.000000079	3.069319948 Hartree
49	RY*(13)C1	254	0.000000143	23.004285583 Hartree
50	RY*(14)C1	255	0.000001741	3.635616056 Hartree
51	RY*(15)C1	256	0.000006312	1.122135637 Hartree
52	RY*(16)C1	257	0.000000202	2.470680815 Hartree
53	RY*(17)C1	258	0.000009423	1.237336293 Hartree
54	RY*(18)C1	259	0.000001364	3.211254082 Hartree
55	RY*(19)C1	260	0.000005542	2.866951295 Hartree
56	RY*(20)C1	261	0.000001537	3.644463513 Hartree
57	RY*(21)C1	262	0.000004810	1.252402703 Hartree
58	RY*(22)C1	263	0.000001926	3.466287016 Hartree
59	RY*(1)C2	264	0.015644632	1.115282806 Hartree
60	RY*(2)C2	265	0.004356702	1.796987286 Hartree
61	RY*(3)C2	266	0.002105442	2.049053981 Hartree
62	RY*(4)C2	267	0.001890416	2.081708372 Hartree
63	RY*(5)C2	268	0.001474768	1.393949689 Hartree
64	RY*(6)C2	269	0.000788102	1.743126546 Hartree
65	RY*(7)C2	270	0.000304551	1.877638987 Hartree
66	RY*(8)C2	271	0.000313290	2.190495583 Hartree
67	RY*(9)C2	272	0.000122626	1.980147992 Hartree
68	RY*(10)C2	273	0.000132347	4.776301993 Hartree
69	RY*(11)C2	274	0.000056608	4.020671436 Hartree
70	RY*(12)C2	275	0.000033266	3.995005837 Hartree
71	RY*(13)C2	276	0.000025183	5.489716418 Hartree
72	RY*(14)C2	277	0.000005544	2.963629530 Hartree
73	RY*(15)C2	278	0.000002215	11.026910107 Hartree
74	RY*(16)C2	279	0.000002689	3.002988371 Hartree
75	RY*(17)C2	280	0.000000474	0.525557199 Hartree
76	RY*(18)C2	281	0.000000388	3.168507472 Hartree
77	RY*(19)C2	282	0.000000680	2.942888853 Hartree
78	RY*(20)C2	283	0.000003295	3.291065277 Hartree
79	RY*(21)C2	284	0.000006055	4.692741683 Hartree
80	RY*(22)C2	285	0.000007389	2.758086592 Hartree
81	RY*(1)C3	286	0.006391652	1.576913146 Hartree
82	RY*(2)C3	287	0.004652546	1.498574700 Hartree
83	RY*(3)C3	288	0.002642693	0.722610160 Hartree
84	RY*(4)C3	289	0.001111502	1.535170982 Hartree
85	RY*(5)C3	290	0.000597619	2.209671244 Hartree
86	RY*(6)C3	291	0.000476436	2.543907991 Hartree
87	RY*(7)C3	292	0.000332726	3.115758934 Hartree
88	RY*(8)C3	293	0.000312116	1.707544026 Hartree
89	RY*(9)C3	294	0.000262860	2.470102065 Hartree
90	RY*(10)C3	295	0.000135307	2.442517535 Hartree
91	RY*(11)C3	296	0.000099444	3.012772180 Hartree
92	RY*(12)C3	297	0.000074251	2.384613226 Hartree
93	RY*(13)C3	298	0.000062219	1.406122305 Hartree
94	RY*(14)C3	299	0.000055300	3.474030807 Hartree
95	RY*(15)C3	300	0.000048531	3.179776481 Hartree
96	RY*(16)C3	301	0.000034865	2.748190744 Hartree
97	RY*(17)C3	302	0.000016058	2.347057284 Hartree
98	RY*(18)C3	303	0.000007686	2.390184104 Hartree
99	RY*(19)C3	304	0.000000897	2.951116289 Hartree
100	RY*(20)C3	305	0.000002829	19.490743383 Hartree
101	RY*(21)C3	306	0.000001353	0.662203190 Hartree
102	RY*(22)C3	307	0.000001131	3.544738392 Hartree
103	RY*(1)C4	308	0.006463095	1.432335904 Hartree
104	RY*(2)C4	309	0.003300158	1.227700434 Hartree
105	RY*(3)C4	310	0.001512648	1.164300523 Hartree
106	RY*(4)C4	311	0.000903166	1.587570548 Hartree
107	RY*(5)C4	312	0.000380894	2.764603748 Hartree
108	RY*(6)C4	313	0.000366678	1.527890662 Hartree
109	RY*(7)C4	314	0.000300074	1.654081577 Hartree
110	RY*(8)C4	315	0.000262763	1.900899477 Hartree
111	RY*(9)C4	316	0.000110512	2.000681565 Hartree
112	RY*(10)C4	317	0.000118264	3.885770414 Hartree
113	RY*(11)C4	318	0.000088563	1.929437745 Hartree
114	RY*(12)C4	319	0.000059659	2.546978749 Hartree
115	RY*(13)C4	320	0.000033126	1.094579632 Hartree
116	RY*(14)C4	321	0.000040356	5.234594997 Hartree
117	RY*(15)C4	322	0.000027567	1.753385982 Hartree
118	RY*(16)C4	323	0.000000969	2.650153152 Hartree
119	RY*(17)C4	324	0.000000061	3.005622929 Hartree
120	RY*(18)C4	325	0.000001700	2.036293038 Hartree
121	RY*(19)C4	326	0.000010001	3.196415780 Hartree
122	RY*(20)C4	327	0.000005452	16.480023949 Hartree
123	RY*(21)C4	328	0.000003429	3.703081669 Hartree
124	RY*(22)C4	329	0.000001918	3.573423939 Hartree
125	RY*(1)C5	330	0.005539076	1.552653731 Hartree
126	RY*(2)C5	331	0.003107183	1.106409555 Hartree
127	RY*(3)C5	332	0.001436817	0.617483798 Hartree
128	RY*(4)C5	333	0.001253886	1.297964409 Hartree
129	RY*(5)C5	334	0.000538467	2.203529693 Hartree
130	RY*(6)C5	335	0.000340031	1.331796207 Hartree
131	RY*(7)C5	336	0.000310667	3.088066207 Hartree
132	RY*(8)C5	337	0.000212614	2.328143395 Hartree
133	RY*(9)C5	338	0.000146967	2.156222648 Hartree
134	RY*(10)C5	339	0.000043180	3.677130430 Hartree
135	RY*(11)C5	340	0.000050579	2.219833246 Hartree
136	RY*(12)C5	341	0.000015871	2.734755410 Hartree
137	RY*(13)C5	342	0.000020111	2.898559244 Hartree
138	RY*(14)C5	343	0.000011167	2.715854164 Hartree
139	RY*(15)C5	344	0.000004049	0.918497211 Hartree
140	RY*(16)C5	345	0.000001662	2.677655570 Hartree
141	RY*(17)C5	346	0.000002849	1.101804624 Hartree
142	RY*(18)C5	347	0.000007603	2.490527976 Hartree
143	RY*(19)C5	348	0.000002208	2.925148172 Hartree
144	RY*(20)C5	349	0.000002657	3.632406237 Hartree
145	RY*(21)C5	350	0.000001954	19.120330147 Hartree
146	RY*(22)C5	351	0.000001451	3.616867465 Hartree
147	RY*(1)C6	352	0.014685779	1.263227299 Hartree
148	RY*(2)C6	353	0.004627937	1.988304473 Hartree
149	RY*(3)C6	354	0.002893083	2.148439682 Hartree
150	RY*(4)C6	355	0.001673028	1.563479488 Hartree
151	RY*(5)C6	356	0.001605508	2.492910883 Hartree
152	RY*(6)C6	357	0.000767530	2.325062074 Hartree
153	RY*(7)C6	358	0.000244503	3.349820463 Hartree
154	RY*(8)C6	359	0.000158817	2.514870450 Hartree
155	RY*(9)C6	360	0.000141655	1.384404063 Hartree
156	RY*(10)C6	361	0.000126923	3.876664061 Hartree
157	RY*(11)C6	362	0.000078573	3.583223836 Hartree
158	RY*(12)C6	363	0.000020622	1.583066348 Hartree
159	RY*(13)C6	364	0.000006840	2.627348559 Hartree
160	RY*(14)C6	365	0.000005785	19.072824424 Hartree
161	RY*(15)C6	366	0.000009486	3.312544961 Hartree
162	RY*(16)C6	367	0.000013045	0.697460528 Hartree
163	RY*(17)C6	368	0.000010626	0.756750209 Hartree
164	RY*(18)C6	369	0.000000005	2.145964523 Hartree
165	RY*(19)C6	370	0.000000161	2.811232585 Hartree
166	RY*(20)C6	371	0.000000028	1.445079633 Hartree
167	RY*(21)C6	372	0.000003173	3.766943298 Hartree
168	RY*(22)C6	373	0.000000403	0.582976794 Hartree
169	RY*(1)C7	374	0.005731865	1.531685985 Hartree
170	RY*(2)C7	375	0.003368222	1.090408399 Hartree
171	RY*(3)C7	376	0.002241940	0.650657652 Hartree
172	RY*(4)C7	377	0.001347522	1.283232446 Hartree
173	RY*(5)C7	378	0.000535271	2.278773825 Hartree
174	RY*(6)C7	379	0.000379002	1.295311018 Hartree
175	RY*(7)C7	380	0.000295776	2.998932219 Hartree
176	RY*(8)C7	381	0.000189706	2.499716127 Hartree
177	RY*(9)C7	382	0.000139380	2.036611417 Hartree
178	RY*(10)C7	383	0.000053825	2.270951504 Hartree
179	RY*(11)C7	384	0.000023935	2.711868331 Hartree
180	RY*(12)C7	385	0.000030028	3.027714753 Hartree
181	RY*(13)C7	386	0.000033399	2.986659127 Hartree
182	RY*(14)C7	387	0.000003082	3.645546177 Hartree
183	RY*(15)C7	388	0.000007051	2.391689051 Hartree
184	RY*(16)C7	389	0.000001821	2.240480340 Hartree
185	RY*(17)C7	390	0.000004618	1.055750283 Hartree
186	RY*(18)C7	391	0.000003669	2.519833173 Hartree
187	RY*(19)C7	392	0.000000459	1.363671482 Hartree
188	RY*(20)C7	393	0.000001313	2.876918238 Hartree
189	RY*(21)C7	394	0.000002391	19.909426663 Hartree
190	RY*(22)C7	395	0.000001699	3.635615306 Hartree
191	RY*(1)C8	396	0.005585802	1.405798267 Hartree
192	RY*(2)C8	397	0.002035521	1.570691172 Hartree
193	RY*(3)C8	398	0.000942302	1.333867675 Hartree
194	RY*(4)C8	399	0.000741419	2.078346518 Hartree
195	RY*(5)C8	400	0.000608303	1.683543315 Hartree
196	RY*(6)C8	401	0.000372669	1.653488900 Hartree
197	RY*(7)C8	402	0.000281555	2.036862823 Hartree
198	RY*(8)C8	403	0.000194121	1.884453313 Hartree
199	RY*(9)C8	404	0.000143654	1.415345557 Hartree
200	RY*(10)C8	405	0.000117759	3.675847929 Hartree
201	RY*(11)C8	406	0.000083872	2.266050271 Hartree
202	RY*(12)C8	407	0.000067397	2.643773217 Hartree
203	RY*(13)C8	408	0.000045130	1.758413393 Hartree
204	RY*(14)C8	409	0.000029153	4.844006081 Hartree
205	RY*(15)C8	410	0.000024397	3.901252396 Hartree
206	RY*(16)C8	411	0.000021434	1.925863782 Hartree
207	RY*(17)C8	412	0.000010765	3.291076987 Hartree
208	RY*(18)C8	413	0.000002549	16.450846156 Hartree
209	RY*(19)C8	414	0.000000075	3.310394933 Hartree
210	RY*(20)C8	415	0.000008423	0.799273689 Hartree
211	RY*(21)C8	416	0.000000078	3.007049189 Hartree
212	RY*(22)C8	417	0.000002049	3.455812098 Hartree
213	RY*(1)H9	418	0.001093947	1.358666042 Hartree
214	RY*(2)H9	419	0.000219688	2.057005762 Hartree
215	RY*(3)H9	420	0.000175689	1.964423442 Hartree
216	RY*(4)H9	421	0.000049254	2.761090960 Hartree
217	RY*(5)H9	422	0.000052713	3.010220227 Hartree
218	RY*(1)H10	423	0.003435549	0.503344690 Hartree
219	RY*(2)H10	424	0.000261842	2.085858302 Hartree
220	RY*(3)H10	425	0.000196102	2.515275744 Hartree
221	RY*(4)H10	426	0.000062581	2.875375674 Hartree
222	RY*(5)H10	427	0.000047202	2.906976148 Hartree
223	RY*(1)O11	428	0.004933642	0.841191305 Hartree
224	RY*(2)O11	429	0.001685501	0.714182161 Hartree
225	RY*(3)O11	430	0.000491955	1.327417835 Hartree
226	RY*(4)O11	431	0.000127191	1.801546982 Hartree
227	RY*(5)O11	432	0.000094267	2.845343016 Hartree
228	RY*(6)O11	433	0.000080150	2.944999213 Hartree
229	RY*(7)O11	434	0.000055123	1.908811755 Hartree
230	RY*(8)O11	435	0.000039223	1.868634826 Hartree
231	RY*(9)O11	436	0.000004065	3.876640290 Hartree
232	RY*(10)O11	437	0.000012287	1.440286117 Hartree
233	RY*(11)O11	438	0.000009106	1.493547863 Hartree
234	RY*(12)O11	439	0.000000693	4.967549418 Hartree
235	RY*(13)O11	440	0.000000020	49.774140700 Hartree
236	RY*(14)O11	441	0.000000508	6.705945665 Hartree
237	RY*(15)O11	442	0.000000955	5.381813644 Hartree
238	RY*(16)O11	443	0.000000008	6.844126764 Hartree
239	RY*(17)O11	444	0.000003060	1.985567422 Hartree
240	RY*(18)O11	445	0.000000047	7.062436556 Hartree
241	RY*(19)O11	446	0.000003926	1.888695941 Hartree
242	RY*(20)O11	447	0.000000168	7.086448070 Hartree
243	RY*(21)O11	448	0.000001556	1.841661835 Hartree
244	RY*(22)O11	449	0.000000473	7.050329531 Hartree
245	RY*(1)H12	450	0.003250203	0.507986115 Hartree
246	RY*(2)H12	451	0.000255674	2.088256971 Hartree
247	RY*(3)H12	452	0.000203639	2.518472789 Hartree
248	RY*(4)H12	453	0.000051787	2.813525711 Hartree
249	RY*(5)H12	454	0.000060860	2.965810083 Hartree
250	RY*(1)H13	455	0.001350509	1.456415221 Hartree
251	RY*(2)H13	456	0.000191392	1.996955661 Hartree
252	RY*(3)H13	457	0.000187169	2.077511680 Hartree
253	RY*(4)H13	458	0.000051275	2.800207353 Hartree
254	RY*(5)H13	459	0.000051814	2.877850645 Hartree
255	RY*(1)O14	460	0.004953958	1.003367291 Hartree
256	RY*(2)O14	461	0.002120313	0.856378349 Hartree
257	RY*(3)O14	462	0.000762558	1.494457684 Hartree
258	RY*(4)O14	463	0.000262391	1.149831796 Hartree
259	RY*(5)O14	464	0.000133844	2.375921940 Hartree
260	RY*(6)O14	465	0.000075578	2.191414500 Hartree
261	RY*(7)O14	466	0.000080090	1.516712891 Hartree
262	RY*(8)O14	467	0.000035282	2.301791495 Hartree
263	RY*(9)O14	468	0.000026238	2.414533481 Hartree
264	RY*(10)O14	469	0.000016883	1.980121244 Hartree
265	RY*(11)O14	470	0.000000043	49.694765818 Hartree
266	RY*(12)O14	471	0.000000199	5.141524221 Hartree
267	RY*(13)O14	472	0.000007543	1.708530712 Hartree
268	RY*(14)O14	473	0.000000538	6.641721593 Hartree
269	RY*(15)O14	474	0.000006307	1.422784538 Hartree
270	RY*(16)O14	475	0.000000509	6.702140037 Hartree
271	RY*(17)O14	476	0.000001467	1.731874671 Hartree
272	RY*(18)O14	477	0.000000410	6.882371814 Hartree
273	RY*(19)O14	478	0.000000806	4.661100602 Hartree
274	RY*(20)O14	479	0.000000360	6.653730431 Hartree
275	RY*(21)O14	480	0.000001624	4.288219245 Hartree
276	RY*(22)O14	481	0.000000129	6.890337413 Hartree
277	RY*(1)H15	482	0.002152324	1.032209302 Hartree
278	RY*(2)H15	483	0.000126707	2.221195691 Hartree
279	RY*(3)H15	484	0.000095573	2.288504316 Hartree
280	RY*(4)H15	485	0.000100663	2.013155117 Hartree
281	RY*(5)H15	486	0.000029344	2.547503148 Hartree
282	RY*(1)H16	487	0.001220839	0.841726779 Hartree
283	RY*(2)H16	488	0.000129698	2.074390228 Hartree
284	RY*(3)H16	489	0.000122716	2.186841210 Hartree
285	RY*(4)H16	490	0.000074634	2.247334884 Hartree
286	RY*(5)H16	491	0.000033471	2.814093554 Hartree
287	RY*(1)H17	492	0.001220839	0.841726779 Hartree
288	RY*(2)H17	493	0.000129698	2.074390227 Hartree
289	RY*(3)H17	494	0.000122716	2.186841210 Hartree
290	RY*(4)H17	495	0.000074634	2.247334884 Hartree
291	RY*(5)H17	496	0.000033471	2.814093554 Hartree
292	BD*(1)C1-C2		0.059354124	0.500064324 Hartree
293	BD*(1)C1-H15		0.004555387	0.522036484 Hartree
294	BD*(1)C1-H16		0.006960735	0.504457216 Hartree
295	BD*(1)C1-H17		0.006960735	0.504457216 Hartree
296	BD*(1)C2-C3		0.054961976	0.655880387 Hartree
297	BD*(1)C2-O14		0.012137706	0.722318221 Hartree
298	BD*(2)C2-O14		0.296064576	0.152652890 Hartree
299	BD*(1)C3-C4		0.025070318	0.694382917 Hartree
300	BD*(1)C3-C8		0.024898676	0.695423966 Hartree
301	BD*(1)C4-C5		0.013626554	0.764563811 Hartree
302	BD*(2)C4-C5		0.238553368	0.189503143 Hartree
303	BD*(1)C4-H13		0.016621706	0.588231510 Hartree
304	BD*(1)C5-C6		0.054441557	0.651455792 Hartree
305	BD*(1)C5-H12		0.015030006	0.584570703 Hartree
306	BD*(1)C6-C7		0.053921010	0.652554254 Hartree
307	BD*(1)C6-O11		0.011580456	0.722432480 Hartree
308	BD*(2)C6-O11		0.429887488	0.174855200 Hartree
309	BD*(1)C7-C8		0.014157838	0.757320737 Hartree
310	BD*(2)C7-C8		0.278166526	0.181910747 Hartree
311	BD*(1)C7-H10		0.014564834	0.580753302 Hartree
312	BD*(1)C8-H9		0.016333832	0.570817158 Hartree

Quote

"WOULD YOU TELL ME PLEASE, WHICH WAY I OUGHT TO WALK FROM HERE?" "THAT DEPENDS A GREAT DEAL ON WHERE YOU WANT TO GO," SAID THE CAT. "I DON'T MUCH CARE WHERE -- ", SAID ALICE. "THEN IT DOESN'T MATTER WHICH WAY YOU WALK," SAID THE CAT. -- LEWIS CARROLL