WebMO Job Summary

Overview

Quantity	Value
Route	#N M062X/6-311+G(2d,p) SP GFINPUT POP=(FULL,NBO6Read) Geom=Connectivit
Stoichiometry	C₈H₈O₂
Symmetry	CS
Basis	6-311+G(2d,p)
RM062X Energy	-460.076329369 Hartree
Dipole Moment	1.9064 Debye
Server	batch (127135)
CPU time	917 sec

Rotational Constants

Constant	Frequency (GHz)	Frequency (cm^-1)
a	3.5707547	0.11910755607
b	0.8479989	0.02828619858
c	0.6882191	0.02295651814

Partial Charges

Atom	Symbol	Charge
1	C	-0.237065
2	O	-0.302328
3	C	0.291436
4	C	0.509301
5	C	-0.158667
6	C	-0.264414
7	C	-0.098428
8	C	-0.250163
9	C	-0.214225
10	H	0.153914
11	H	0.127594
12	H	0.128877
13	H	0.129033
14	H	0.161684
15	O	-0.472997
16	H	0.158055
17	H	0.169196
18	H	0.169196

Molecular Orbitals

Display Range		- / 318
Orbital	Symmetry	Occupancy	Energy	Actions
1	-	2	-19.67351 Hartree
2	-	2	-19.61417 Hartree
3	-	2	-10.67538 Hartree
4	-	2	-10.59248 Hartree
5	-	2	-10.56143 Hartree
6	-	2	-10.55564 Hartree
7	-	2	-10.55538 Hartree
8	-	2	-10.55297 Hartree
9	-	2	-10.55210 Hartree
10	-	2	-10.55144 Hartree
11	-	2	-1.24274 Hartree
12	-	2	-1.14642 Hartree
13	-	2	-0.97848 Hartree
14	-	2	-0.88046 Hartree
15	-	2	-0.85711 Hartree
16	-	2	-0.82209 Hartree
17	-	2	-0.72216 Hartree
18	-	2	-0.70104 Hartree
19	-	2	-0.65558 Hartree
20	-	2	-0.62777 Hartree
21	-	2	-0.57425 Hartree
22	-	2	-0.57351 Hartree
23	-	2	-0.56470 Hartree
24	-	2	-0.52852 Hartree
25	-	2	-0.52418 Hartree
26	-	2	-0.50183 Hartree
27	-	2	-0.49028 Hartree
28	-	2	-0.48277 Hartree
29	-	2	-0.44269 Hartree
30	-	2	-0.44009 Hartree
31	-	2	-0.42829 Hartree
32	-	2	-0.41267 Hartree
33	-	2	-0.38101 Hartree
34	-	2	-0.36047 Hartree
35	-	2	-0.32037 Hartree
36	-	2	-0.31895 Hartree
37	-	0	-0.02085 Hartree
38	-	0	0.00950 Hartree
39	-	0	0.01072 Hartree
40	-	0	0.01827 Hartree
41	-	0	0.02827 Hartree
42	-	0	0.03637 Hartree
43	-	0	0.04409 Hartree
44	-	0	0.04764 Hartree
45	-	0	0.05281 Hartree
46	-	0	0.06743 Hartree
47	-	0	0.06778 Hartree
48	-	0	0.07429 Hartree
49	-	0	0.08470 Hartree
50	-	0	0.08679 Hartree
51	-	0	0.09351 Hartree
52	-	0	0.10310 Hartree
53	-	0	0.10336 Hartree
54	-	0	0.11570 Hartree
55	-	0	0.13319 Hartree
56	-	0	0.13964 Hartree
57	-	0	0.14941 Hartree
58	-	0	0.15039 Hartree
59	-	0	0.15612 Hartree
60	-	0	0.16190 Hartree
61	-	0	0.16358 Hartree
62	-	0	0.17179 Hartree
63	-	0	0.17799 Hartree
64	-	0	0.18816 Hartree
65	-	0	0.19834 Hartree
66	-	0	0.20053 Hartree
67	-	0	0.20617 Hartree
68	-	0	0.20863 Hartree
69	-	0	0.21924 Hartree
70	-	0	0.22402 Hartree
71	-	0	0.22745 Hartree
72	-	0	0.23513 Hartree
73	-	0	0.23896 Hartree
74	-	0	0.24194 Hartree
75	-	0	0.24872 Hartree
76	-	0	0.25072 Hartree
77	-	0	0.26095 Hartree
78	-	0	0.26862 Hartree
79	-	0	0.27655 Hartree
80	-	0	0.28196 Hartree
81	-	0	0.28340 Hartree
82	-	0	0.29733 Hartree
83	-	0	0.31488 Hartree
84	-	0	0.31646 Hartree
85	-	0	0.32504 Hartree
86	-	0	0.33138 Hartree
87	-	0	0.34375 Hartree
88	-	0	0.34719 Hartree
89	-	0	0.35663 Hartree
90	-	0	0.36350 Hartree
91	-	0	0.37534 Hartree
92	-	0	0.39699 Hartree
93	-	0	0.41856 Hartree
94	-	0	0.45462 Hartree
95	-	0	0.45490 Hartree
96	-	0	0.48358 Hartree
97	-	0	0.49461 Hartree
98	-	0	0.49921 Hartree
99	-	0	0.52754 Hartree
100	-	0	0.53370 Hartree
101	-	0	0.54429 Hartree
102	-	0	0.55492 Hartree
103	-	0	0.55649 Hartree
104	-	0	0.55806 Hartree
105	-	0	0.55904 Hartree
106	-	0	0.57659 Hartree
107	-	0	0.58815 Hartree
108	-	0	0.58856 Hartree
109	-	0	0.61099 Hartree
110	-	0	0.61642 Hartree
111	-	0	0.62655 Hartree
112	-	0	0.63437 Hartree
113	-	0	0.64407 Hartree
114	-	0	0.65006 Hartree
115	-	0	0.65104 Hartree
116	-	0	0.67244 Hartree
117	-	0	0.67850 Hartree
118	-	0	0.68815 Hartree
119	-	0	0.70571 Hartree
120	-	0	0.70808 Hartree
121	-	0	0.71599 Hartree
122	-	0	0.72002 Hartree
123	-	0	0.72949 Hartree
124	-	0	0.74621 Hartree
125	-	0	0.75659 Hartree
126	-	0	0.77267 Hartree
127	-	0	0.78332 Hartree
128	-	0	0.79877 Hartree
129	-	0	0.81273 Hartree
130	-	0	0.82588 Hartree
131	-	0	0.83179 Hartree
132	-	0	0.83730 Hartree
133	-	0	0.84797 Hartree
134	-	0	0.85012 Hartree
135	-	0	0.86201 Hartree
136	-	0	0.87571 Hartree
137	-	0	0.88409 Hartree
138	-	0	0.88841 Hartree
139	-	0	0.89913 Hartree
140	-	0	0.92314 Hartree
141	-	0	0.93733 Hartree
142	-	0	0.94190 Hartree
143	-	0	0.97439 Hartree
144	-	0	1.01303 Hartree
145	-	0	1.03418 Hartree
146	-	0	1.05013 Hartree
147	-	0	1.06972 Hartree
148	-	0	1.07180 Hartree
149	-	0	1.08565 Hartree
150	-	0	1.12500 Hartree
151	-	0	1.14580 Hartree
152	-	0	1.15912 Hartree
153	-	0	1.16448 Hartree
154	-	0	1.17924 Hartree
155	-	0	1.20940 Hartree
156	-	0	1.21183 Hartree
157	-	0	1.23679 Hartree
158	-	0	1.24178 Hartree
159	-	0	1.24472 Hartree
160	-	0	1.27803 Hartree
161	-	0	1.28581 Hartree
162	-	0	1.29420 Hartree
163	-	0	1.31632 Hartree
164	-	0	1.32835 Hartree
165	-	0	1.35708 Hartree
166	-	0	1.37067 Hartree
167	-	0	1.37146 Hartree
168	-	0	1.37317 Hartree
169	-	0	1.38967 Hartree
170	-	0	1.39436 Hartree
171	-	0	1.46488 Hartree
172	-	0	1.47144 Hartree
173	-	0	1.49347 Hartree
174	-	0	1.51119 Hartree
175	-	0	1.52311 Hartree
176	-	0	1.55722 Hartree
177	-	0	1.56189 Hartree
178	-	0	1.59947 Hartree
179	-	0	1.60008 Hartree
180	-	0	1.61179 Hartree
181	-	0	1.61996 Hartree
182	-	0	1.64227 Hartree
183	-	0	1.66564 Hartree
184	-	0	1.68062 Hartree
185	-	0	1.72007 Hartree
186	-	0	1.74935 Hartree
187	-	0	1.76821 Hartree
188	-	0	1.79383 Hartree
189	-	0	1.81597 Hartree
190	-	0	1.84159 Hartree
191	-	0	1.89260 Hartree
192	-	0	1.89662 Hartree
193	-	0	1.92931 Hartree
194	-	0	1.94624 Hartree
195	-	0	1.97034 Hartree
196	-	0	2.01624 Hartree
197	-	0	2.03162 Hartree
198	-	0	2.06177 Hartree
199	-	0	2.12800 Hartree
200	-	0	2.18811 Hartree
201	-	0	2.20005 Hartree
202	-	0	2.23105 Hartree
203	-	0	2.23262 Hartree
204	-	0	2.26206 Hartree
205	-	0	2.29945 Hartree
206	-	0	2.32866 Hartree
207	-	0	2.36368 Hartree
208	-	0	2.37170 Hartree
209	-	0	2.38674 Hartree
210	-	0	2.41085 Hartree
211	-	0	2.44952 Hartree
212	-	0	2.54666 Hartree
213	-	0	2.60113 Hartree
214	-	0	2.61660 Hartree
215	-	0	2.67386 Hartree
216	-	0	2.67687 Hartree
217	-	0	2.68116 Hartree
218	-	0	2.70584 Hartree
219	-	0	2.70828 Hartree
220	-	0	2.73450 Hartree
221	-	0	2.75857 Hartree
222	-	0	2.77149 Hartree
223	-	0	2.78011 Hartree
224	-	0	2.78831 Hartree
225	-	0	2.83284 Hartree
226	-	0	2.83413 Hartree
227	-	0	2.89404 Hartree
228	-	0	2.89715 Hartree
229	-	0	2.89942 Hartree
230	-	0	2.95221 Hartree
231	-	0	3.00936 Hartree
232	-	0	3.02063 Hartree
233	-	0	3.04251 Hartree
234	-	0	3.09917 Hartree
235	-	0	3.11861 Hartree
236	-	0	3.13637 Hartree
237	-	0	3.15571 Hartree
238	-	0	3.16890 Hartree
239	-	0	3.17862 Hartree
240	-	0	3.19514 Hartree
241	-	0	3.21011 Hartree
242	-	0	3.26554 Hartree
243	-	0	3.27413 Hartree
244	-	0	3.28262 Hartree
245	-	0	3.29599 Hartree
246	-	0	3.29933 Hartree
247	-	0	3.30025 Hartree
248	-	0	3.31733 Hartree
249	-	0	3.36839 Hartree
250	-	0	3.39443 Hartree
251	-	0	3.43183 Hartree
252	-	0	3.43675 Hartree
253	-	0	3.44596 Hartree
254	-	0	3.46459 Hartree
255	-	0	3.47639 Hartree
256	-	0	3.51281 Hartree
257	-	0	3.51671 Hartree
258	-	0	3.52834 Hartree
259	-	0	3.57602 Hartree
260	-	0	3.58045 Hartree
261	-	0	3.59116 Hartree
262	-	0	3.59470 Hartree
263	-	0	3.61196 Hartree
264	-	0	3.61954 Hartree
265	-	0	3.63713 Hartree
266	-	0	3.65943 Hartree
267	-	0	3.69229 Hartree
268	-	0	3.71689 Hartree
269	-	0	3.76141 Hartree
270	-	0	3.77751 Hartree
271	-	0	3.78550 Hartree
272	-	0	3.82168 Hartree
273	-	0	3.88615 Hartree
274	-	0	3.89585 Hartree
275	-	0	3.90474 Hartree
276	-	0	3.92102 Hartree
277	-	0	3.94434 Hartree
278	-	0	3.95437 Hartree
279	-	0	3.97377 Hartree
280	-	0	4.00182 Hartree
281	-	0	4.05898 Hartree
282	-	0	4.07967 Hartree
283	-	0	4.16730 Hartree
284	-	0	4.19517 Hartree
285	-	0	4.20537 Hartree
286	-	0	4.27684 Hartree
287	-	0	4.52405 Hartree
288	-	0	4.56495 Hartree
289	-	0	4.65164 Hartree
290	-	0	4.82444 Hartree
291	-	0	4.89275 Hartree
292	-	0	5.11081 Hartree
293	-	0	5.18344 Hartree
294	-	0	5.30185 Hartree
295	-	0	5.45326 Hartree
296	-	0	5.57490 Hartree
297	-	0	5.93423 Hartree
298	-	0	6.22694 Hartree
299	-	0	6.78423 Hartree
300	-	0	6.91516 Hartree
301	-	0	6.93275 Hartree
302	-	0	7.01042 Hartree
303	-	0	7.05872 Hartree
304	-	0	7.10887 Hartree
305	-	0	7.22283 Hartree
306	-	0	7.27764 Hartree
307	-	0	7.44105 Hartree
308	-	0	7.49837 Hartree
309	-	0	23.77492 Hartree
310	-	0	24.05028 Hartree
311	-	0	24.08631 Hartree
312	-	0	24.09134 Hartree
313	-	0	24.14341 Hartree
314	-	0	24.22053 Hartree
315	-	0	24.22353 Hartree
316	-	0	24.30850 Hartree
317	-	0	50.10883 Hartree
318	-	0	50.18260 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom	Symbol	Charge
1	C	-0.20379
2	O	-0.57863
3	C	0.83964
4	C	-0.17010
5	C	-0.16282
6	C	-0.21183
7	C	-0.18652
8	C	-0.21420
9	C	-0.17105
10	H	0.23163
11	H	0.21495
12	H	0.21437
13	H	0.21616
14	H	0.23735
15	O	-0.61674
16	H	0.18611
17	H	0.18775
18	H	0.18775

Natural Atomic Orbitals

Display Range		- / 318
Orbital	Description	Occupancy	Energy	Actions
1	C1 Cor(1s)	1.999992101	-10.592425402 Hartree
2	C1 Val(2s)	1.089395080	-0.223456511 Hartree
3	C1 Ryd(3s)	0.001490347	1.008505195 Hartree
4	C1 Ryd(4s)	0.000023301	0.669020144 Hartree
5	C1 Ryd(5s)	0.000009950	22.303813866 Hartree
6	C1 Val(2p)	1.044018343	-0.099784252 Hartree
7	C1 Ryd(3p)	0.002805355	0.841444410 Hartree
8	C1 Ryd(4p)	0.000113750	1.874646125 Hartree
9	C1 Ryd(5p)	0.000026776	1.588506083 Hartree
10	C1 Val(2p)	0.857873965	-0.080285779 Hartree
11	C1 Ryd(3p)	0.002351180	0.882071467 Hartree
12	C1 Ryd(4p)	0.000163204	2.160334602 Hartree
13	C1 Ryd(5p)	0.000102979	1.741039651 Hartree
14	C1 Val(2p)	1.198298477	-0.128869351 Hartree
15	C1 Ryd(3p)	0.000369794	0.761057935 Hartree
16	C1 Ryd(4p)	0.000076923	1.792968266 Hartree
17	C1 Ryd(5p)	0.000017125	1.480426585 Hartree
18	C1 Ryd(3d)	0.001772058	2.068904017 Hartree
19	C1 Ryd(4d)	0.000085336	3.269982322 Hartree
20	C1 Ryd(3d)	0.001789474	1.891516514 Hartree
21	C1 Ryd(4d)	0.000059040	3.145685129 Hartree
22	C1 Ryd(3d)	0.000591533	1.790370174 Hartree
23	C1 Ryd(4d)	0.000044609	2.556879888 Hartree
24	C1 Ryd(3d)	0.000826262	1.949599437 Hartree
25	C1 Ryd(4d)	0.000064383	2.890374782 Hartree
26	C1 Ryd(3d)	0.001400937	2.051104904 Hartree
27	C1 Ryd(4d)	0.000031066	3.037878758 Hartree
28	O2 Cor(1s)	1.999997111	-19.673448024 Hartree
29	O2 Val(2s)	1.615907091	-0.817890262 Hartree
30	O2 Ryd(3s)	0.001041828	1.629297673 Hartree
31	O2 Ryd(4s)	0.000368871	2.058195343 Hartree
32	O2 Ryd(5s)	0.000000104	48.916011503 Hartree
33	O2 Val(2p)	1.745000931	-0.408640008 Hartree
34	O2 Ryd(3p)	0.002233914	0.885912000 Hartree
35	O2 Ryd(4p)	0.000357873	1.263151426 Hartree
36	O2 Ryd(5p)	0.000031757	5.213235736 Hartree
37	O2 Val(2p)	1.388476571	-0.340384337 Hartree
38	O2 Ryd(3p)	0.001608344	1.528203730 Hartree
39	O2 Ryd(4p)	0.000454492	1.163658380 Hartree
40	O2 Ryd(5p)	0.000034520	4.947770606 Hartree
41	O2 Val(2p)	1.807369726	-0.400947551 Hartree
42	O2 Ryd(3p)	0.003477432	0.635762370 Hartree
43	O2 Ryd(4p)	0.000123231	0.920718533 Hartree
44	O2 Ryd(5p)	0.000022929	4.953989809 Hartree
45	O2 Ryd(3d)	0.004487936	2.464972419 Hartree
46	O2 Ryd(4d)	0.000048083	7.194153656 Hartree
47	O2 Ryd(3d)	0.002629126	1.790657107 Hartree
48	O2 Ryd(4d)	0.000012029	6.895024140 Hartree
49	O2 Ryd(3d)	0.000397900	1.847962997 Hartree
50	O2 Ryd(4d)	0.000040872	6.942398570 Hartree
51	O2 Ryd(3d)	0.002188391	2.111054120 Hartree
52	O2 Ryd(4d)	0.000062755	7.160106238 Hartree
53	O2 Ryd(3d)	0.002250211	1.972963858 Hartree
54	O2 Ryd(4d)	0.000006207	6.971321163 Hartree
55	C3 Cor(1s)	1.999991983	-10.675315162 Hartree
56	C3 Val(2s)	0.755218918	-0.067820225 Hartree
57	C3 Ryd(3s)	0.002801203	1.096636640 Hartree
58	C3 Ryd(4s)	0.000239850	11.950756027 Hartree
59	C3 Ryd(5s)	0.000013358	2.236980366 Hartree
60	C3 Val(2p)	0.792419712	0.048417456 Hartree
61	C3 Ryd(3p)	0.017622046	1.340059558 Hartree
62	C3 Ryd(4p)	0.000167207	2.336575159 Hartree
63	C3 Ryd(5p)	0.000127220	1.925287866 Hartree
64	C3 Val(2p)	0.824764180	-0.012695292 Hartree
65	C3 Ryd(3p)	0.005913977	1.339773991 Hartree
66	C3 Ryd(4p)	0.000512208	2.232729537 Hartree
67	C3 Ryd(5p)	0.000196077	1.864418598 Hartree
68	C3 Val(2p)	0.749295472	-0.118122996 Hartree
69	C3 Ryd(3p)	0.000686472	0.943941186 Hartree
70	C3 Ryd(4p)	0.000123188	1.248775811 Hartree
71	C3 Ryd(5p)	0.000037374	1.483792056 Hartree
72	C3 Ryd(3d)	0.003341421	2.800822846 Hartree
73	C3 Ryd(4d)	0.000264333	3.447966103 Hartree
74	C3 Ryd(3d)	0.002625178	2.401696602 Hartree
75	C3 Ryd(4d)	0.000123214	2.398425266 Hartree
76	C3 Ryd(3d)	0.001294930	2.307124098 Hartree
77	C3 Ryd(4d)	0.000101689	2.319690967 Hartree
78	C3 Ryd(3d)	0.001205897	2.844519988 Hartree
79	C3 Ryd(4d)	0.000600769	3.518820609 Hartree
80	C3 Ryd(3d)	0.000469672	2.740032957 Hartree
81	C3 Ryd(4d)	0.000200896	3.121242098 Hartree
82	C4 Cor(1s)	1.999993288	-10.561339571 Hartree
83	C4 Val(2s)	0.905280763	-0.082876344 Hartree
84	C4 Ryd(3s)	0.000932161	1.618920069 Hartree
85	C4 Ryd(4s)	0.000133816	7.978811913 Hartree
86	C4 Ryd(5s)	0.000017259	10.367885716 Hartree
87	C4 Val(2p)	1.100677843	-0.052244292 Hartree
88	C4 Ryd(3p)	0.005676504	1.293265192 Hartree
89	C4 Ryd(4p)	0.000202816	1.508195867 Hartree
90	C4 Ryd(5p)	0.000134553	3.707849332 Hartree
91	C4 Val(2p)	1.089768141	-0.059232039 Hartree
92	C4 Ryd(3p)	0.006065920	1.121818610 Hartree
93	C4 Ryd(4p)	0.000377709	2.164804641 Hartree
94	C4 Ryd(5p)	0.000186954	3.712870029 Hartree
95	C4 Val(2p)	1.054152187	-0.127477853 Hartree
96	C4 Ryd(3p)	0.001012506	0.619883600 Hartree
97	C4 Ryd(4p)	0.000123510	0.366335315 Hartree
98	C4 Ryd(5p)	0.000092118	2.836192320 Hartree
99	C4 Ryd(3d)	0.000945351	2.976312352 Hartree
100	C4 Ryd(4d)	0.000676772	3.658162786 Hartree
101	C4 Ryd(3d)	0.000310055	1.210320197 Hartree
102	C4 Ryd(4d)	0.000168169	3.482424059 Hartree
103	C4 Ryd(3d)	0.000270842	1.185264719 Hartree
104	C4 Ryd(4d)	0.000135406	3.476074740 Hartree
105	C4 Ryd(3d)	0.000953765	2.974395195 Hartree
106	C4 Ryd(4d)	0.000508488	3.631088395 Hartree
107	C4 Ryd(3d)	0.001250011	2.423837660 Hartree
108	C4 Ryd(4d)	0.000052712	3.715486630 Hartree
109	C5 Cor(1s)	1.999993147	-10.552822096 Hartree
110	C5 Val(2s)	0.945567860	-0.097287770 Hartree
111	C5 Ryd(3s)	0.001096215	1.377533330 Hartree
112	C5 Ryd(4s)	0.000044067	18.084867592 Hartree
113	C5 Ryd(5s)	0.000009648	1.899166052 Hartree
114	C5 Val(2p)	1.192993218	-0.067941950 Hartree
115	C5 Ryd(3p)	0.006300540	1.259680257 Hartree
116	C5 Ryd(4p)	0.000144915	0.508564810 Hartree
117	C5 Ryd(5p)	0.000054555	3.756490773 Hartree
118	C5 Val(2p)	1.057148193	-0.025955879 Hartree
119	C5 Ryd(3p)	0.003233536	0.910720476 Hartree
120	C5 Ryd(4p)	0.000200276	1.814539200 Hartree
121	C5 Ryd(5p)	0.000179872	3.449967773 Hartree
122	C5 Val(2p)	0.949507953	-0.115189406 Hartree
123	C5 Ryd(3p)	0.000941377	0.612787854 Hartree
124	C5 Ryd(4p)	0.000264514	0.279513579 Hartree
125	C5 Ryd(5p)	0.000032089	2.833466433 Hartree
126	C5 Ryd(3d)	0.000954676	2.336408611 Hartree
127	C5 Ryd(4d)	0.000325723	3.833608071 Hartree
128	C5 Ryd(3d)	0.000524663	1.285206083 Hartree
129	C5 Ryd(4d)	0.000013977	3.182885926 Hartree
130	C5 Ryd(3d)	0.000304324	1.267359903 Hartree
131	C5 Ryd(4d)	0.000135637	3.277554640 Hartree
132	C5 Ryd(3d)	0.000843338	2.244762354 Hartree
133	C5 Ryd(4d)	0.000599318	3.905008690 Hartree
134	C5 Ryd(3d)	0.001382007	1.893269630 Hartree
135	C5 Ryd(4d)	0.000024605	3.560234899 Hartree
136	C6 Cor(1s)	1.999993576	-10.551559247 Hartree
137	C6 Val(2s)	0.950940884	-0.105986328 Hartree
138	C6 Ryd(3s)	0.000935933	1.377328941 Hartree
139	C6 Ryd(4s)	0.000017282	12.677631064 Hartree
140	C6 Ryd(5s)	0.000007638	7.081405738 Hartree
141	C6 Val(2p)	1.085730065	-0.038332768 Hartree
142	C6 Ryd(3p)	0.003918349	0.895485529 Hartree
143	C6 Ryd(4p)	0.000174482	0.941687849 Hartree
144	C6 Ryd(5p)	0.000108147	3.502200451 Hartree
145	C6 Val(2p)	1.159025353	-0.060208899 Hartree
146	C6 Ryd(3p)	0.005868993	1.169164828 Hartree
147	C6 Ryd(4p)	0.000216617	0.558848085 Hartree
148	C6 Ryd(5p)	0.000066678	3.682735084 Hartree
149	C6 Val(2p)	0.998241211	-0.120910704 Hartree
150	C6 Ryd(3p)	0.001089432	0.597687406 Hartree
151	C6 Ryd(4p)	0.000276821	0.285160529 Hartree
152	C6 Ryd(5p)	0.000016880	2.788486562 Hartree
153	C6 Ryd(3d)	0.000948208	2.286760075 Hartree
154	C6 Ryd(4d)	0.000533981	3.824336350 Hartree
155	C6 Ryd(3d)	0.000281642	1.261038582 Hartree
156	C6 Ryd(4d)	0.000089772	3.242059605 Hartree
157	C6 Ryd(3d)	0.000461375	1.262299240 Hartree
158	C6 Ryd(4d)	0.000025548	3.178254022 Hartree
159	C6 Ryd(3d)	0.000905780	2.243206611 Hartree
160	C6 Ryd(4d)	0.000430387	3.802117636 Hartree
161	C6 Ryd(3d)	0.001503213	1.817648617 Hartree
162	C6 Ryd(4d)	0.000023898	3.515563744 Hartree
163	C7 Cor(1s)	1.999993707	-10.555504228 Hartree
164	C7 Val(2s)	0.954368515	-0.110390870 Hartree
165	C7 Ryd(3s)	0.000934424	1.122753761 Hartree
166	C7 Ryd(4s)	0.000020459	3.918489717 Hartree
167	C7 Ryd(5s)	0.000003445	18.894124876 Hartree
168	C7 Val(2p)	1.101603215	-0.043274828 Hartree
169	C7 Ryd(3p)	0.004513993	0.934492895 Hartree
170	C7 Ryd(4p)	0.000181507	0.628274490 Hartree
171	C7 Ryd(5p)	0.000097939	3.617619885 Hartree
172	C7 Val(2p)	1.140698304	-0.056544625 Hartree
173	C7 Ryd(3p)	0.005454468	1.059646775 Hartree
174	C7 Ryd(4p)	0.000207177	0.440187388 Hartree
175	C7 Ryd(5p)	0.000072346	3.666960224 Hartree
176	C7 Val(2p)	0.971937820	-0.120697098 Hartree
177	C7 Ryd(3p)	0.001047724	0.598028971 Hartree
178	C7 Ryd(4p)	0.000250589	0.273365793 Hartree
179	C7 Ryd(5p)	0.000017665	2.769516429 Hartree
180	C7 Ryd(3d)	0.000869117	2.295378032 Hartree
181	C7 Ryd(4d)	0.000619511	3.816459098 Hartree
182	C7 Ryd(3d)	0.000341605	1.298688174 Hartree
183	C7 Ryd(4d)	0.000071752	3.195814190 Hartree
184	C7 Ryd(3d)	0.000409967	1.296434872 Hartree
185	C7 Ryd(4d)	0.000036868	3.156185461 Hartree
186	C7 Ryd(3d)	0.000955172	2.218100704 Hartree
187	C7 Ryd(4d)	0.000347624	3.775085538 Hartree
188	C7 Ryd(3d)	0.001441051	1.841021051 Hartree
189	C7 Ryd(4d)	0.000027196	3.488935136 Hartree
190	C8 Cor(1s)	1.999993569	-10.552149517 Hartree
191	C8 Val(2s)	0.951105161	-0.107811289 Hartree
192	C8 Ryd(3s)	0.000947328	1.415956586 Hartree
193	C8 Ryd(4s)	0.000034174	2.737167767 Hartree
194	C8 Ryd(5s)	0.000011697	17.423423714 Hartree
195	C8 Val(2p)	1.178352429	-0.067879530 Hartree
196	C8 Ryd(3p)	0.006430434	1.251679509 Hartree
197	C8 Ryd(4p)	0.000177679	0.427382365 Hartree
198	C8 Ryd(5p)	0.000042459	3.755202839 Hartree
199	C8 Val(2p)	1.066326708	-0.031680802 Hartree
200	C8 Ryd(3p)	0.003454707	0.828246685 Hartree
201	C8 Ryd(4p)	0.000227429	1.113289466 Hartree
202	C8 Ryd(5p)	0.000119099	3.451019358 Hartree
203	C8 Val(2p)	1.000571842	-0.121893557 Hartree
204	C8 Ryd(3p)	0.001121297	0.597385071 Hartree
205	C8 Ryd(4p)	0.000302769	0.304175855 Hartree
206	C8 Ryd(5p)	0.000018077	2.799976639 Hartree
207	C8 Ryd(3d)	0.000920207	2.280260604 Hartree
208	C8 Ryd(4d)	0.000333232	3.793664101 Hartree
209	C8 Ryd(3d)	0.000458849	1.317891072 Hartree
210	C8 Ryd(4d)	0.000013669	3.131976795 Hartree
211	C8 Ryd(3d)	0.000255194	1.295057168 Hartree
212	C8 Ryd(4d)	0.000108488	3.231714980 Hartree
213	C8 Ryd(3d)	0.000807382	2.301706917 Hartree
214	C8 Ryd(4d)	0.000641901	3.826873259 Hartree
215	C8 Ryd(3d)	0.001403966	1.885783434 Hartree
216	C8 Ryd(4d)	0.000023682	3.511162596 Hartree
217	C9 Cor(1s)	1.999993075	-10.555309400 Hartree
218	C9 Val(2s)	0.943425226	-0.098702674 Hartree
219	C9 Ryd(3s)	0.000958672	1.750785821 Hartree
220	C9 Ryd(4s)	0.000047487	11.111182091 Hartree
221	C9 Ryd(5s)	0.000009084	16.399710285 Hartree
222	C9 Val(2p)	1.078042551	-0.033662893 Hartree
223	C9 Ryd(3p)	0.003735277	1.011956595 Hartree
224	C9 Ryd(4p)	0.000326942	1.187233435 Hartree
225	C9 Ryd(5p)	0.000155283	3.442105892 Hartree
226	C9 Val(2p)	1.171138922	-0.064424603 Hartree
227	C9 Ryd(3p)	0.005644830	1.274088998 Hartree
228	C9 Ryd(4p)	0.000384492	0.557188327 Hartree
229	C9 Ryd(5p)	0.000071325	3.659240613 Hartree
230	C9 Val(2p)	0.960201605	-0.118598443 Hartree
231	C9 Ryd(3p)	0.001214062	0.613229197 Hartree
232	C9 Ryd(4p)	0.000342909	0.350873862 Hartree
233	C9 Ryd(5p)	0.000023104	2.721393732 Hartree
234	C9 Ryd(3d)	0.000832594	2.322141276 Hartree
235	C9 Ryd(4d)	0.000436996	3.878437850 Hartree
236	C9 Ryd(3d)	0.000323900	1.241893071 Hartree
237	C9 Ryd(4d)	0.000113729	3.293487522 Hartree
238	C9 Ryd(3d)	0.000495814	1.224494077 Hartree
239	C9 Ryd(4d)	0.000039529	3.215073099 Hartree
240	C9 Ryd(3d)	0.000986338	2.353953117 Hartree
241	C9 Ryd(4d)	0.000475847	3.843775908 Hartree
242	C9 Ryd(3d)	0.001597959	1.846391203 Hartree
243	C9 Ryd(4d)	0.000037055	3.566176295 Hartree
244	H10 Val(1s)	0.766642513	0.084112441 Hartree
245	H10 Ryd(2s)	0.000705650	1.091887827 Hartree
246	H10 Ryd(3s)	0.000164759	2.376267880 Hartree
247	H10 Ryd(2p)	0.000170205	2.393309591 Hartree
248	H10 Ryd(2p)	0.000615793	2.568520853 Hartree
249	H10 Ryd(2p)	0.000071050	1.857764215 Hartree
250	H11 Val(1s)	0.783442301	0.071760745 Hartree
251	H11 Ryd(2s)	0.000650646	0.893103149 Hartree
252	H11 Ryd(3s)	0.000092535	2.383866406 Hartree
253	H11 Ryd(2p)	0.000716701	2.572426020 Hartree
254	H11 Ryd(2p)	0.000072519	2.291094606 Hartree
255	H11 Ryd(2p)	0.000074711	1.832804781 Hartree
256	H12 Val(1s)	0.784191512	0.070857243 Hartree
257	H12 Ryd(2s)	0.000556841	0.915790841 Hartree
258	H12 Ryd(3s)	0.000081591	2.335032994 Hartree
259	H12 Ryd(2p)	0.000253510	2.404329089 Hartree
260	H12 Ryd(2p)	0.000472591	2.491718309 Hartree
261	H12 Ryd(2p)	0.000073754	1.842299615 Hartree
262	H13 Val(1s)	0.782271213	0.073566441 Hartree
263	H13 Ryd(2s)	0.000644951	0.912010641 Hartree
264	H13 Ryd(3s)	0.000094898	2.367108799 Hartree
265	H13 Ryd(2p)	0.000184963	2.374706109 Hartree
266	H13 Ryd(2p)	0.000569935	2.540990876 Hartree
267	H13 Ryd(2p)	0.000076980	1.845826601 Hartree
268	H14 Val(1s)	0.761018486	0.091315204 Hartree
269	H14 Ryd(2s)	0.000546881	0.921339490 Hartree
270	H14 Ryd(3s)	0.000173088	2.374692099 Hartree
271	H14 Ryd(2p)	0.000767853	2.592032337 Hartree
272	H14 Ryd(2p)	0.000079175	2.316234942 Hartree
273	H14 Ryd(2p)	0.000060630	1.851574158 Hartree
274	O15 Cor(1s)	1.999997031	-19.613583456 Hartree
275	O15 Val(2s)	1.696473244	-0.755871562 Hartree
276	O15 Ryd(3s)	0.000144774	2.964971780 Hartree
277	O15 Ryd(4s)	0.000058699	2.376619675 Hartree
278	O15 Ryd(5s)	0.000001496	46.406583478 Hartree
279	O15 Val(2p)	1.583049574	-0.332988916 Hartree
280	O15 Ryd(3p)	0.000610314	0.946064060 Hartree
281	O15 Ryd(4p)	0.000201286	1.368100797 Hartree
282	O15 Ryd(5p)	0.000022060	6.072275852 Hartree
283	O15 Val(2p)	1.852472234	-0.338708064 Hartree
284	O15 Ryd(3p)	0.002080916	0.782228864 Hartree
285	O15 Ryd(4p)	0.000095721	1.328256054 Hartree
286	O15 Ryd(5p)	0.000006615	5.275346883 Hartree
287	O15 Val(2p)	1.459620163	-0.290403356 Hartree
288	O15 Ryd(3p)	0.001202439	0.597461611 Hartree
289	O15 Ryd(4p)	0.000030433	1.180580367 Hartree
290	O15 Ryd(5p)	0.000010760	4.904442968 Hartree
291	O15 Ryd(3d)	0.006123805	2.048950795 Hartree
292	O15 Ryd(4d)	0.000066164	7.192590101 Hartree
293	O15 Ryd(3d)	0.006094979	1.880441921 Hartree
294	O15 Ryd(4d)	0.000015619	6.999464406 Hartree
295	O15 Ryd(3d)	0.000085892	1.668954468 Hartree
296	O15 Ryd(4d)	0.000000787	6.770864196 Hartree
297	O15 Ryd(3d)	0.006147159	2.229712224 Hartree
298	O15 Ryd(4d)	0.000015738	7.049741168 Hartree
299	O15 Ryd(3d)	0.002113316	1.927124509 Hartree
300	O15 Ryd(4d)	0.000003347	6.962181548 Hartree
301	H16 Val(1s)	0.812981211	0.038048476 Hartree
302	H16 Ryd(2s)	0.000257519	0.512678227 Hartree
303	H16 Ryd(3s)	0.000045381	2.361558579 Hartree
304	H16 Ryd(2p)	0.000213875	2.178401256 Hartree
305	H16 Ryd(2p)	0.000369793	2.399152795 Hartree
306	H16 Ryd(2p)	0.000026702	1.880794939 Hartree
307	H17 Val(1s)	0.810868648	0.041139628 Hartree
308	H17 Ryd(2s)	0.000701760	0.510911395 Hartree
309	H17 Ryd(3s)	0.000087548	2.333737003 Hartree
310	H17 Ryd(2p)	0.000207861	2.174280080 Hartree
311	H17 Ryd(2p)	0.000043073	1.993637901 Hartree
312	H17 Ryd(2p)	0.000344855	2.357401764 Hartree
313	H18 Val(1s)	0.810868648	0.041139628 Hartree
314	H18 Ryd(2s)	0.000701760	0.510911395 Hartree
315	H18 Ryd(3s)	0.000087548	2.333737003 Hartree
316	H18 Ryd(2p)	0.000207861	2.174280080 Hartree
317	H18 Ryd(2p)	0.000043073	1.993637901 Hartree
318	H18 Ryd(2p)	0.000344855	2.357401764 Hartree

Natural Hybrid Orbitals

Display Range		- / 318
Orbital	Description	Occupancy	Energy	Actions
1	CR(1)C1 s(100.00%)	1.999992101	-10.592425402 Hartree
2	CR(1)O2 s(100.00%)	1.999997111	-19.673448024 Hartree
3	CR(1)C3 s(100.00%)	1.999991983	-10.675315162 Hartree
4	CR(1)C4 s(100.00%)	1.999993288	-10.561339571 Hartree
5	CR(1)C5 s(100.00%)	1.999993147	-10.552822096 Hartree
6	CR(1)C6 s(100.00%)	1.999993576	-10.551559247 Hartree
7	CR(1)C7 s(100.00%)	1.999993707	-10.555504228 Hartree
8	CR(1)C8 s(100.00%)	1.999993569	-10.552149517 Hartree
9	CR(1)C9 s(100.00%)	1.999993075	-10.555309400 Hartree
10	CR(1)O15 s(100.00%)	1.999997031	-19.613583456 Hartree
11	LP(1)O2 s(38.13%)p1.62(61.76%)d0.00(0.11%)	1.966916623	-0.603195209 Hartree
12	LP(2)O2 s(0.00%)p1.00(99.84%)d0.00(0.16%)	1.810465803	-0.403056406 Hartree
13	LP(1)O15 s(57.92%)p0.72(41.99%)d0.00(0.10%)	1.980573089	-0.658723364 Hartree
14	LP(2)O15 s(0.00%)p1.00(99.68%)d0.00(0.32%)	1.859461901	-0.343375369 Hartree
15	BD(1)C1(O2) 1s(20.44%)p3.88(79.36%)d0.01(0.20%)	0.616559631	-0.026457749 Hartree
16	BD(1)O2(C1) 2s(28.63%)p2.48(71.15%)d0.01(0.22%)	1.387939159	-0.473595426 Hartree
17	BD(1)C1(H16) 1s(25.90%)p2.86(73.98%)d0.00(0.12%)	1.188031612	-0.155825055 Hartree
18	BD(1)H16(C1) 16s(99.94%)p0.00(0.06%)	0.813509365	0.038460829 Hartree
19	BD(1)C1(H17) 1s(26.88%)p2.72(73.01%)d0.00(0.11%)	1.196701744	-0.162681121 Hartree
20	BD(1)H17(C1) 17s(99.94%)p0.00(0.06%)	0.811347544	0.042071377 Hartree
21	BD(1)C1(H18) 1s(26.88%)p2.72(73.01%)d0.00(0.11%)	1.196701744	-0.162681121 Hartree
22	BD(1)H18(C1) 18s(99.94%)p0.00(0.06%)	0.811347544	0.042071377 Hartree
23	BD(1)O2(C3) 2s(33.22%)p2.00(66.55%)d0.01(0.24%)	1.405480614	-0.492388746 Hartree
24	BD(1)C3(O2) 3s(27.11%)p2.68(72.74%)d0.01(0.15%)	0.682680499	-0.000708908 Hartree
25	BD(1)C3(C4) 3s(38.38%)p1.60(61.56%)d0.00(0.06%)	0.989831427	-0.090149435 Hartree
26	BD(1)C4(C3) 4s(29.07%)p2.44(70.87%)d0.00(0.06%)	1.049304604	-0.100159674 Hartree
27	BD(1)C3(O15) 3s(34.39%)p1.90(65.50%)d0.00(0.11%)	0.705040986	0.090156590 Hartree
28	BD(1)O15(C3) 15s(42.03%)p1.37(57.48%)d0.01(0.49%)	1.307160546	-0.426793927 Hartree
29	BD(2)C3(O15) 3s(0.00%)p1.00(99.73%)d0.00(0.27%)	0.749583463	-0.114017062 Hartree
30	BD(2)O15(C3) 15s(0.00%)p1.00(99.59%)d0.00(0.41%)	1.465719191	-0.293425182 Hartree
31	BD(1)C4(C5) 4s(35.09%)p1.85(64.84%)d0.00(0.07%)	1.024270924	-0.040999197 Hartree
32	BD(1)C5(C4) 5s(35.33%)p1.83(64.56%)d0.00(0.11%)	0.969422971	-0.009501440 Hartree
33	BD(1)C4(C9) 4s(35.73%)p1.80(64.20%)d0.00(0.07%)	1.025050218	-0.042191644 Hartree
34	BD(1)C9(C4) 9s(35.46%)p1.82(64.42%)d0.00(0.13%)	0.971676197	-0.011573367 Hartree
35	BD(2)C4(C9) 4s(0.00%)p1.00(99.99%)d0.00(0.01%)	1.054268556	-0.127957024 Hartree
36	BD(2)C9(C4) 9s(0.00%)p1.00(99.94%)d0.00(0.06%)	0.960827774	-0.118797970 Hartree
37	BD(1)C5(C6) 5s(36.17%)p1.76(63.73%)d0.00(0.11%)	1.000579198	-0.023026992 Hartree
38	BD(1)C6(C5) 6s(35.96%)p1.78(63.91%)d0.00(0.13%)	0.992309794	-0.019990249 Hartree
39	BD(2)C5(C6) 5s(0.00%)p1.00(99.94%)d0.00(0.06%)	0.950126471	-0.115809346 Hartree
40	BD(2)C6(C5) 6s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.999169284	-0.122395679 Hartree
41	BD(1)C5(H14) 5s(28.36%)p2.52(71.60%)d0.00(0.03%)	1.231536071	-0.141335530 Hartree
42	BD(1)H14(C5) 14s(99.92%)p0.00(0.08%)	0.761634416	0.092395533 Hartree
43	BD(1)C6(C7) 6s(35.85%)p1.79(64.03%)d0.00(0.12%)	0.997872004	-0.026317115 Hartree
44	BD(1)C7(C6) 7s(35.97%)p1.78(63.91%)d0.00(0.12%)	0.997300482	-0.026157407 Hartree
45	BD(1)C6(H13) 6s(28.03%)p2.57(71.94%)d0.00(0.03%)	1.212608008	-0.139702670 Hartree
46	BD(1)H13(C6) 13s(99.94%)p0.00(0.06%)	0.782798304	0.074490331 Hartree
47	BD(1)C7(C8) 7s(35.99%)p1.78(63.89%)d0.00(0.12%)	0.995938361	-0.025505308 Hartree
48	BD(1)C8(C7) 8s(35.92%)p1.78(63.97%)d0.00(0.11%)	0.999045107	-0.027098501 Hartree
49	BD(2)C7(C8) 7s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.972806638	-0.121989549 Hartree
50	BD(2)C8(C7) 8s(0.00%)p1.00(99.95%)d0.00(0.05%)	1.001464336	-0.123234333 Hartree
51	BD(1)C7(H12) 7s(27.88%)p2.58(72.08%)d0.00(0.03%)	1.210532772	-0.140423487 Hartree
52	BD(1)H12(C7) 12s(99.94%)p0.00(0.06%)	0.784704331	0.071702645 Hartree
53	BD(1)C8(C9) 8s(35.93%)p1.78(63.95%)d0.00(0.12%)	0.992516247	-0.022012865 Hartree
54	BD(1)C9(C8) 9s(36.14%)p1.76(63.75%)d0.00(0.11%)	1.000861066	-0.024941232 Hartree
55	BD(1)C8(H11) 8s(28.00%)p2.57(71.97%)d0.00(0.03%)	1.211175676	-0.139832936 Hartree
56	BD(1)H11(C8) 11s(99.93%)p0.00(0.07%)	0.784002980	0.072612813 Hartree
57	BD(1)C9(H10) 9s(28.24%)p2.54(71.72%)d0.00(0.03%)	1.226189498	-0.141644329 Hartree
58	BD(1)H10(C9) 10s(99.93%)p0.00(0.07%)	0.767207866	0.085241879 Hartree
59	RY(1)C1 s(17.64%)p3.71(65.49%)d0.96(16.87%)	0.002566278	1.144808743 Hartree
60	RY(2)C1 s(1.71%)p56.62(96.80%)d0.87(1.49%)	0.001424777	1.088298280 Hartree
61	RY(3)C1 s(0.00%)p1.00(25.57%)d2.91(74.43%)	0.001062531	1.464423549 Hartree
62	RY(4)C1 s(8.52%)p2.05(17.49%)d8.69(74.00%)	0.000401521	1.556503814 Hartree
63	RY(5)C1 s(40.60%)p0.31(12.61%)d1.15(46.80%)	0.000171326	1.861163293 Hartree
64	RY(6)C1 s(0.00%)p1.00(73.77%)d0.36(26.23%)	0.000079826	1.097162985 Hartree
65	RY(7)C1 s(0.00%)p1.00(13.43%)d6.45(86.57%)	0.000049492	1.540857270 Hartree
66	RY(8)C1 s(9.74%)p3.97(38.69%)d5.29(51.57%)	0.000029834	2.959879595 Hartree
67	RY(9)C1 s(57.73%)p0.24(14.12%)d0.49(28.15%)	0.000007460	1.011205570 Hartree
68	RY(10)C1 s(7.74%)p7.53(58.27%)d4.39(33.99%)	0.000006290	1.670722832 Hartree
69	RY(11)C1 s(1.50%)p51.15(76.61%)d14.61(21.89%)	0.000002876	1.974960537 Hartree
70	RY(12)C1 s(0.00%)p1.00(93.93%)d0.06(6.07%)	0.000001303	1.092844667 Hartree
71	RY(13)C1 s(0.30%)p85.43(25.91%)d99.99(73.79%)	0.000000056	3.067415949 Hartree
72	RY(14)C1 s(0.00%)p1.00(1.95%)d50.41(98.05%)	0.000000000	3.102581416 Hartree
73	RY(15)C1 s(0.00%)p1.00(80.30%)d0.25(19.70%)	0.000000102	2.753340494 Hartree
74	RY(16)C1 s(58.64%)p0.20(11.77%)d0.50(29.59%)	0.000000106	11.187426550 Hartree
75	RY(17)C1 s(25.22%)p1.75(44.11%)d1.22(30.67%)	0.000000362	7.131268088 Hartree
76	RY(18)C1 s(8.67%)p2.97(25.78%)d7.56(65.55%)	0.000001237	1.774394080 Hartree
77	RY(19)C1 s(19.36%)p1.62(31.37%)d2.55(49.27%)	0.000000147	3.724334202 Hartree
78	RY(20)C1 s(0.00%)p1.00(11.21%)d7.92(88.79%)	0.000000000	2.364949858 Hartree
79	RY(21)C1 s(35.88%)p1.20(43.17%)d0.58(20.95%)	0.000000980	4.112063954 Hartree
80	RY(22)C1 s(6.66%)p5.75(38.30%)d8.26(55.04%)	0.000000010	4.050773685 Hartree
81	RY(1)O2 s(0.00%)p1.00(98.12%)d0.02(1.88%)	0.003411156	0.642161463 Hartree
82	RY(2)O2 s(10.85%)p7.27(78.96%)d0.94(10.19%)	0.002402890	1.045119434 Hartree
83	RY(3)O2 s(9.78%)p8.71(85.16%)d0.52(5.07%)	0.000745038	1.607839938 Hartree
84	RY(4)O2 s(15.22%)p5.20(79.14%)d0.37(5.65%)	0.000441635	1.599683700 Hartree
85	RY(5)O2 s(44.73%)p0.86(38.55%)d0.37(16.73%)	0.000306785	1.637491458 Hartree
86	RY(6)O2 s(1.98%)p21.39(42.29%)d28.19(55.73%)	0.000157011	2.540054695 Hartree
87	RY(7)O2 s(0.00%)p1.00(57.19%)d0.75(42.81%)	0.000121997	2.767012296 Hartree
88	RY(8)O2 s(40.28%)p0.64(25.73%)d0.84(33.99%)	0.000088780	3.214548050 Hartree
89	RY(9)O2 s(0.00%)p1.00(7.19%)d12.91(92.81%)	0.000061263	2.024690151 Hartree
90	RY(10)O2 s(36.95%)p0.44(16.22%)d1.27(46.83%)	0.000057582	1.797354035 Hartree
91	RY(11)O2 s(0.00%)p1.00(36.76%)d1.72(63.24%)	0.000013015	3.018026602 Hartree
92	RY(12)O2 s(18.29%)p1.53(28.04%)d2.93(53.66%)	0.000011083	2.288356020 Hartree
93	RY(13)O2 s(13.49%)p3.24(43.71%)d3.17(42.81%)	0.000006185	5.863949336 Hartree
94	RY(14)O2 s(0.82%)p66.69(54.56%)d54.53(44.62%)	0.000003414	5.651773363 Hartree
95	RY(15)O2 s(3.00%)p24.28(72.96%)d8.00(24.04%)	0.000001059	5.492410534 Hartree
96	RY(16)O2 s(94.77%)p0.01(0.53%)d0.05(4.70%)	0.000000011	46.826141868 Hartree
97	RY(17)O2 s(0.00%)p1.00(44.10%)d1.27(55.90%)	0.000000000	6.035435448 Hartree
98	RY(18)O2 s(0.00%)p1.00(41.00%)d1.44(59.00%)	0.000000000	5.320061241 Hartree
99	RY(19)O2 s(0.00%)p1.00(15.80%)d5.33(84.20%)	0.000000012	4.181235180 Hartree
100	RY(20)O2 s(6.27%)p2.07(13.00%)d12.88(80.73%)	0.000000594	5.940822622 Hartree
101	RY(21)O2 s(0.08%)p99.99(12.14%)d99.99(87.78%)	0.000001369	2.103789670 Hartree
102	RY(22)O2 s(3.52%)p2.72(9.57%)d24.68(86.91%)	0.000000048	7.872937903 Hartree
103	RY(1)C3 s(6.01%)p15.59(93.73%)d0.04(0.25%)	0.017527309	1.224705284 Hartree
104	RY(2)C3 s(7.97%)p8.02(63.93%)d3.52(28.09%)	0.005186353	1.679233144 Hartree
105	RY(3)C3 s(6.35%)p3.25(20.63%)d11.50(73.03%)	0.003394039	2.464362214 Hartree
106	RY(4)C3 s(0.00%)p1.00(0.38%)d99.99(99.62%)	0.003362590	2.059600234 Hartree
107	RY(5)C3 s(0.00%)p1.00(10.92%)d8.16(89.08%)	0.001107393	1.517036895 Hartree
108	RY(6)C3 s(6.09%)p3.17(19.34%)d12.24(74.57%)	0.000787383	3.679194583 Hartree
109	RY(7)C3 s(23.39%)p1.80(42.07%)d1.48(34.54%)	0.000679990	2.455746858 Hartree
110	RY(8)C3 s(16.65%)p1.95(32.44%)d3.06(50.91%)	0.000391806	4.066850623 Hartree
111	RY(9)C3 s(39.90%)p0.25(9.91%)d1.26(50.19%)	0.000235098	3.112869121 Hartree
112	RY(10)C3 s(0.00%)p1.00(85.75%)d0.17(14.25%)	0.000203471	0.732100063 Hartree
113	RY(11)C3 s(13.52%)p4.80(64.85%)d1.60(21.63%)	0.000181468	1.963471182 Hartree
114	RY(12)C3 s(21.55%)p1.90(40.91%)d1.74(37.54%)	0.000101755	5.279549397 Hartree
115	RY(13)C3 s(0.00%)p1.00(38.66%)d1.59(61.34%)	0.000023062	1.709368032 Hartree
116	RY(14)C3 s(61.85%)p0.16(10.11%)d0.45(28.04%)	0.000018728	4.444058274 Hartree
117	RY(15)C3 s(3.49%)p22.00(76.76%)d5.66(19.75%)	0.000009300	2.583626277 Hartree
118	RY(16)C3 s(0.00%)p1.00(55.21%)d0.81(44.79%)	0.000007536	1.439250502 Hartree
119	RY(17)C3 s(13.84%)p3.44(47.57%)d2.79(38.59%)	0.000007097	3.103342128 Hartree
120	RY(18)C3 s(22.80%)p1.75(39.92%)d1.64(37.28%)	0.000003179	2.468468493 Hartree
121	RY(19)C3 s(26.90%)p0.62(16.72%)d2.10(56.39%)	0.000002122	2.940675551 Hartree
122	RY(20)C3 s(0.00%)p1.00(99.46%)d0.01(0.54%)	0.000000000	2.824375694 Hartree
123	RY(21)C3 s(0.00%)p1.00(9.89%)d9.11(90.11%)	0.000000000	2.817608632 Hartree
124	RY(22)C3 s(29.80%)p0.72(21.32%)d1.64(48.88%)	0.000000405	3.299072905 Hartree
125	RY(1)C4 s(1.53%)p58.10(88.63%)d6.45(9.85%)	0.007077913	1.444193777 Hartree
126	RY(2)C4 s(0.22%)p99.99(88.63%)d50.90(11.15%)	0.005438746	1.256935725 Hartree
127	RY(3)C4 s(0.00%)p1.00(89.65%)d0.12(10.35%)	0.001132814	0.540530882 Hartree
128	RY(4)C4 s(51.34%)p0.22(11.28%)d0.73(37.39%)	0.000697716	1.802041706 Hartree
129	RY(5)C4 s(23.64%)p0.29(6.74%)d2.95(69.62%)	0.000589910	2.694901075 Hartree
130	RY(6)C4 s(0.00%)p1.00(2.37%)d41.24(97.63%)	0.000584719	2.067172577 Hartree
131	RY(7)C4 s(14.29%)p5.16(73.72%)d0.84(11.99%)	0.000521832	3.078659493 Hartree
132	RY(8)C4 s(9.25%)p4.00(37.01%)d5.81(53.73%)	0.000423834	3.597919049 Hartree
133	RY(9)C4 s(0.00%)p1.00(7.72%)d11.96(92.28%)	0.000213044	1.740848928 Hartree
134	RY(10)C4 s(21.05%)p1.48(31.10%)d2.27(47.85%)	0.000192935	5.403052086 Hartree
135	RY(11)C4 s(14.59%)p3.84(55.97%)d2.02(29.44%)	0.000138163	3.892641538 Hartree
136	RY(12)C4 s(0.00%)p1.00(25.43%)d2.93(74.57%)	0.000063620	2.116977846 Hartree
137	RY(13)C4 s(8.26%)p6.11(50.42%)d5.00(41.32%)	0.000059206	3.875736999 Hartree
138	RY(14)C4 s(13.60%)p0.90(12.27%)d5.45(74.13%)	0.000033534	2.804802882 Hartree
139	RY(15)C4 s(28.70%)p2.04(58.46%)d0.45(12.84%)	0.000021898	4.172039970 Hartree
140	RY(16)C4 s(21.87%)p0.79(17.29%)d2.78(60.84%)	0.000012727	4.288931080 Hartree
141	RY(17)C4 s(37.89%)p0.92(34.92%)d0.72(27.19%)	0.000005904	3.412604405 Hartree
142	RY(18)C4 s(0.00%)p1.00(59.94%)d0.67(40.06%)	0.000002040	2.358048865 Hartree
143	RY(19)C4 s(0.00%)p1.00(24.64%)d3.06(75.36%)	0.000000000	2.192614306 Hartree
144	RY(20)C4 s(51.78%)p0.53(27.20%)d0.41(21.02%)	0.000000536	7.717869999 Hartree
145	RY(21)C4 s(0.00%)p1.00(90.27%)d0.11(9.73%)	0.000000000	2.160780715 Hartree
146	RY(22)C4 s(2.11%)p3.05(6.45%)d43.29(91.44%)	0.000000938	3.400372444 Hartree
147	RY(1)C5 s(0.27%)p99.99(87.36%)d45.89(12.37%)	0.006063960	1.430912390 Hartree
148	RY(2)C5 s(0.13%)p99.99(91.46%)d66.83(8.41%)	0.002054615	1.121539353 Hartree
149	RY(3)C5 s(0.00%)p1.00(88.09%)d0.14(11.91%)	0.001047084	0.514851151 Hartree
150	RY(4)C5 s(45.57%)p0.18(8.01%)d1.02(46.42%)	0.000560234	2.189768898 Hartree
151	RY(5)C5 s(0.00%)p1.00(4.21%)d22.76(95.79%)	0.000483017	2.145725437 Hartree
152	RY(6)C5 s(1.79%)p15.55(27.77%)d39.46(70.45%)	0.000321497	3.313605097 Hartree
153	RY(7)C5 s(23.91%)p1.76(42.02%)d1.42(34.07%)	0.000223873	3.315082579 Hartree
154	RY(8)C5 s(5.91%)p6.27(37.04%)d9.66(57.06%)	0.000129009	2.445430834 Hartree
155	RY(9)C5 s(0.68%)p84.86(57.70%)d61.22(41.62%)	0.000121745	1.914175628 Hartree
156	RY(10)C5 s(16.71%)p3.22(53.77%)d1.77(29.52%)	0.000041702	4.255169635 Hartree
157	RY(11)C5 s(0.00%)p1.00(14.91%)d5.71(85.09%)	0.000042516	1.206913073 Hartree
158	RY(12)C5 s(0.00%)p1.00(7.21%)d12.88(92.79%)	0.000023982	2.085157052 Hartree
159	RY(13)C5 s(9.28%)p3.36(31.16%)d6.42(59.56%)	0.000021562	4.424946058 Hartree
160	RY(14)C5 s(42.37%)p0.44(18.59%)d0.92(39.03%)	0.000009601	8.798681482 Hartree
161	RY(15)C5 s(35.36%)p0.90(31.92%)d0.93(32.73%)	0.000005417	5.703476179 Hartree
162	RY(16)C5 s(18.81%)p2.18(40.94%)d2.14(40.25%)	0.000006266	3.092222909 Hartree
163	RY(17)C5 s(84.89%)p0.07(5.91%)d0.11(9.20%)	0.000003079	1.937375768 Hartree
164	RY(18)C5 s(0.00%)p1.00(85.97%)d0.16(14.03%)	0.000001465	0.508854504 Hartree
165	RY(19)C5 s(10.31%)p5.17(53.38%)d3.52(36.31%)	0.000001319	3.224269902 Hartree
166	RY(20)C5 s(0.00%)p1.00(1.41%)d69.74(98.59%)	0.000000000	3.350222982 Hartree
167	RY(21)C5 s(0.00%)p1.00(98.25%)d0.02(1.75%)	0.000000000	2.927670158 Hartree
168	RY(22)C5 s(4.16%)p3.14(13.09%)d19.88(82.75%)	0.000000444	3.650844168 Hartree
169	RY(1)C6 s(0.12%)p99.99(85.83%)d99.99(14.05%)	0.006007931	1.375926915 Hartree
170	RY(2)C6 s(0.03%)p99.99(97.78%)d82.45(2.19%)	0.001479983	1.403529872 Hartree
171	RY(3)C6 s(0.00%)p1.00(86.42%)d0.16(13.58%)	0.000893942	0.406237573 Hartree
172	RY(4)C6 s(38.52%)p0.17(6.69%)d1.42(54.79%)	0.000517522	2.203532326 Hartree
173	RY(5)C6 s(0.00%)p1.00(0.74%)d99.99(99.26%)	0.000407101	2.373876840 Hartree
174	RY(6)C6 s(1.68%)p16.61(27.96%)d41.77(70.35%)	0.000344993	2.572738489 Hartree
175	RY(7)C6 s(5.42%)p4.44(24.07%)d13.01(70.51%)	0.000094525	2.474112604 Hartree
176	RY(8)C6 s(38.66%)p0.53(20.39%)d1.06(40.95%)	0.000042455	3.226486410 Hartree
177	RY(9)C6 s(5.53%)p15.31(84.71%)d1.76(9.76%)	0.000029308	2.066793635 Hartree
178	RY(10)C6 s(23.76%)p1.55(36.86%)d1.66(39.39%)	0.000016786	5.235661766 Hartree
179	RY(11)C6 s(27.21%)p1.17(31.96%)d1.50(40.82%)	0.000011740	2.445728658 Hartree
180	RY(12)C6 s(0.00%)p1.00(18.52%)d4.40(81.48%)	0.000010289	1.561833965 Hartree
181	RY(13)C6 s(37.26%)p0.31(11.66%)d1.37(51.08%)	0.000008136	2.323893238 Hartree
182	RY(14)C6 s(34.64%)p0.81(28.06%)d1.08(37.30%)	0.000005747	7.938061748 Hartree
183	RY(15)C6 s(39.31%)p0.67(26.32%)d0.87(34.37%)	0.000003940	5.200914432 Hartree
184	RY(16)C6 s(0.00%)p1.00(65.73%)d0.52(34.27%)	0.000002009	0.762966427 Hartree
185	RY(17)C6 s(29.41%)p1.29(38.01%)d1.11(32.58%)	0.000002176	3.177355241 Hartree
186	RY(18)C6 s(0.00%)p1.00(31.86%)d2.14(68.14%)	0.000000055	1.464115656 Hartree
187	RY(19)C6 s(0.00%)p1.00(95.90%)d0.04(4.10%)	0.000000000	2.703542998 Hartree
188	RY(20)C6 s(0.00%)p1.00(0.89%)d99.99(99.11%)	0.000000000	3.343897461 Hartree
189	RY(21)C6 s(14.37%)p2.55(36.63%)d3.41(48.99%)	0.000000687	4.713619017 Hartree
190	RY(22)C6 s(4.24%)p10.20(43.19%)d12.41(52.58%)	0.000000153	2.999248286 Hartree
191	RY(1)C7 s(0.21%)p99.99(86.68%)d63.20(13.11%)	0.006074320	1.363909438 Hartree
192	RY(2)C7 s(0.02%)p99.99(98.47%)d66.46(1.51%)	0.001467078	1.333347978 Hartree
193	RY(3)C7 s(0.00%)p1.00(84.54%)d0.18(15.46%)	0.000862885	0.435288227 Hartree
194	RY(4)C7 s(37.96%)p0.14(5.48%)d1.49(56.56%)	0.000571961	1.885841331 Hartree
195	RY(5)C7 s(0.00%)p1.00(1.01%)d97.91(98.99%)	0.000441334	2.368222791 Hartree
196	RY(6)C7 s(0.02%)p99.99(30.67%)d99.99(69.31%)	0.000348990	2.503354088 Hartree
197	RY(7)C7 s(7.56%)p2.35(17.78%)d9.88(74.66%)	0.000083983	2.450578570 Hartree
198	RY(8)C7 s(43.52%)p0.52(22.43%)d0.78(34.05%)	0.000031171	1.717587567 Hartree
199	RY(9)C7 s(0.52%)p99.99(91.83%)d14.66(7.65%)	0.000023187	1.942442204 Hartree
200	RY(10)C7 s(57.38%)p0.41(23.31%)d0.34(19.30%)	0.000016420	4.650645281 Hartree
201	RY(11)C7 s(11.95%)p3.16(37.80%)d4.20(50.25%)	0.000011895	3.566000777 Hartree
202	RY(12)C7 s(10.31%)p0.47(4.84%)d8.23(84.85%)	0.000009073	3.017561986 Hartree
203	RY(13)C7 s(14.10%)p4.04(56.90%)d2.06(29.00%)	0.000004002	2.855285896 Hartree
204	RY(14)C7 s(0.00%)p1.00(1.16%)d85.50(98.84%)	0.000002054	2.139238753 Hartree
205	RY(15)C7 s(24.69%)p1.88(46.53%)d1.17(28.78%)	0.000001245	1.994844190 Hartree
206	RY(16)C7 s(0.00%)p1.00(94.04%)d0.06(5.96%)	0.000000000	2.659592363 Hartree
207	RY(17)C7 s(86.17%)p0.06(5.18%)d0.10(8.64%)	0.000000063	15.745860847 Hartree
208	RY(18)C7 s(5.35%)p12.24(65.48%)d5.45(29.17%)	0.000000151	3.202256976 Hartree
209	RY(19)C7 s(0.00%)p1.00(41.87%)d1.39(58.13%)	0.000000159	1.121597378 Hartree
210	RY(20)C7 s(0.00%)p1.00(1.74%)d56.31(98.26%)	0.000000000	3.252915041 Hartree
211	RY(21)C7 s(0.00%)p1.00(75.68%)d0.32(24.32%)	0.000000920	0.612471787 Hartree
212	RY(22)C7 s(0.39%)p17.35(6.74%)d99.99(92.87%)	0.000000307	3.469888320 Hartree
213	RY(1)C8 s(0.13%)p99.99(86.11%)d99.99(13.76%)	0.006069297	1.397825970 Hartree
214	RY(2)C8 s(0.01%)p99.99(98.13%)d99.99(1.86%)	0.001465007	1.404498465 Hartree
215	RY(3)C8 s(0.00%)p1.00(87.09%)d0.15(12.91%)	0.000939731	0.438393484 Hartree
216	RY(4)C8 s(40.32%)p0.16(6.26%)d1.32(53.42%)	0.000513357	2.376199206 Hartree
217	RY(5)C8 s(0.00%)p1.00(0.70%)d99.99(99.30%)	0.000409008	2.402157697 Hartree
218	RY(6)C8 s(0.47%)p63.42(29.78%)d99.99(69.75%)	0.000344572	2.524226605 Hartree
219	RY(7)C8 s(8.12%)p3.18(25.80%)d8.14(66.08%)	0.000092930	2.240709307 Hartree
220	RY(8)C8 s(29.63%)p1.32(39.09%)d1.06(31.28%)	0.000039765	1.403429836 Hartree
221	RY(9)C8 s(0.00%)p1.00(25.81%)d2.87(74.19%)	0.000035802	1.323380397 Hartree
222	RY(10)C8 s(26.67%)p1.66(44.17%)d1.09(29.16%)	0.000034673	2.016027653 Hartree
223	RY(11)C8 s(53.46%)p0.67(35.56%)d0.21(10.98%)	0.000024998	2.730953588 Hartree
224	RY(12)C8 s(32.67%)p1.36(44.52%)d0.70(22.82%)	0.000016107	5.623588070 Hartree
225	RY(13)C8 s(13.25%)p1.13(15.02%)d5.41(71.73%)	0.000007342	4.271440446 Hartree
226	RY(14)C8 s(1.42%)p9.42(13.42%)d59.77(85.15%)	0.000007508	3.369266151 Hartree
227	RY(15)C8 s(40.94%)p1.07(43.89%)d0.37(15.16%)	0.000004457	7.144083223 Hartree
228	RY(16)C8 s(7.46%)p6.52(48.65%)d5.88(43.89%)	0.000000984	3.540030866 Hartree
229	RY(17)C8 s(41.78%)p1.04(43.60%)d0.35(14.62%)	0.000001379	6.654550390 Hartree
230	RY(18)C8 s(0.00%)p1.00(70.94%)d0.41(29.06%)	0.000001243	0.717019273 Hartree
231	RY(19)C8 s(0.00%)p1.00(6.53%)d14.31(93.47%)	0.000000000	3.114937660 Hartree
232	RY(20)C8 s(0.00%)p1.00(50.08%)d1.00(49.92%)	0.000000066	2.225116840 Hartree
233	RY(21)C8 s(0.00%)p1.00(58.89%)d0.70(41.11%)	0.000000000	2.458513006 Hartree
234	RY(22)C8 s(3.82%)p6.84(26.12%)d18.36(70.07%)	0.000000267	3.287562104 Hartree
235	RY(1)C9 s(0.28%)p99.99(87.57%)d43.55(12.15%)	0.006157804	1.406921300 Hartree
236	RY(2)C9 s(0.93%)p96.99(90.66%)d9.00(8.41%)	0.001802232	1.219007637 Hartree
237	RY(3)C9 s(0.00%)p1.00(87.89%)d0.14(12.11%)	0.001375510	0.502257674 Hartree
238	RY(4)C9 s(25.53%)p0.61(15.66%)d2.30(58.81%)	0.000613471	2.267006107 Hartree
239	RY(5)C9 s(0.00%)p1.00(3.31%)d29.25(96.69%)	0.000501455	2.192055962 Hartree
240	RY(6)C9 s(14.62%)p4.01(58.70%)d1.82(26.68%)	0.000446379	2.258828644 Hartree
241	RY(7)C9 s(1.37%)p35.50(48.71%)d36.38(49.92%)	0.000253190	3.246997768 Hartree
242	RY(8)C9 s(4.85%)p8.02(38.94%)d11.58(56.21%)	0.000130258	2.582130292 Hartree
243	RY(9)C9 s(4.83%)p14.65(70.69%)d5.07(24.48%)	0.000069945	1.798977064 Hartree
244	RY(10)C9 s(28.83%)p0.88(25.35%)d1.59(45.81%)	0.000043819	1.967122530 Hartree
245	RY(11)C9 s(0.00%)p1.00(26.11%)d2.83(73.89%)	0.000029812	1.041794532 Hartree
246	RY(12)C9 s(0.00%)p1.00(32.58%)d2.07(67.42%)	0.000019832	1.356431999 Hartree
247	RY(13)C9 s(6.97%)p4.45(31.00%)d8.89(62.02%)	0.000020297	3.386783868 Hartree
248	RY(14)C9 s(17.27%)p2.31(39.90%)d2.48(42.83%)	0.000016149	5.817536200 Hartree
249	RY(15)C9 s(48.87%)p0.21(10.24%)d0.84(40.89%)	0.000013292	6.021674307 Hartree
250	RY(16)C9 s(39.17%)p0.84(32.71%)d0.72(28.12%)	0.000008309	4.086208031 Hartree
251	RY(17)C9 s(60.55%)p0.38(22.89%)d0.27(16.56%)	0.000003977	9.537639932 Hartree
252	RY(18)C9 s(0.00%)p1.00(50.61%)d0.98(49.39%)	0.000000269	1.755074168 Hartree
253	RY(19)C9 s(0.00%)p1.00(98.75%)d0.01(1.25%)	0.000000000	2.552665659 Hartree
254	RY(20)C9 s(0.00%)p1.00(0.81%)d99.99(99.19%)	0.000000000	3.260364091 Hartree
255	RY(21)C9 s(17.26%)p0.58(10.00%)d4.21(72.74%)	0.000000777	5.103113837 Hartree
256	RY(22)C9 s(28.81%)p0.59(17.09%)d1.88(54.09%)	0.000000221	7.485788947 Hartree
257	RY(1)H10 s(93.40%)p0.07(6.60%)	0.000749193	1.221476771 Hartree
258	RY(2)H10 s(66.46%)p0.50(33.54%)	0.000241995	2.733564968 Hartree
259	RY(3)H10 s(5.34%)p17.71(94.66%)	0.000079702	2.330373855 Hartree
260	RY(4)H10 s(0.00%)p1.00(100.00%)	0.000071050	1.857764215 Hartree
261	RY(5)H10 s(34.86%)p1.87(65.14%)	0.000020163	2.143441120 Hartree
262	RY(1)H11 s(86.11%)p0.16(13.89%)	0.000743950	1.274176305 Hartree
263	RY(2)H11 s(65.93%)p0.52(34.07%)	0.000144366	2.430550262 Hartree
264	RY(3)H11 s(0.00%)p1.00(100.00%)	0.000074711	1.832804781 Hartree
265	RY(4)H11 s(0.54%)p99.99(99.46%)	0.000066364	2.283101722 Hartree
266	RY(5)H11 s(47.49%)p1.11(52.51%)	0.000017043	2.151809823 Hartree
267	RY(1)H12 s(86.15%)p0.16(13.85%)	0.000635323	1.308901120 Hartree
268	RY(2)H12 s(64.78%)p0.54(35.22%)	0.000127756	2.361547436 Hartree
269	RY(3)H12 s(0.00%)p1.00(100.00%)	0.000073754	1.842299615 Hartree
270	RY(4)H12 s(0.13%)p99.99(99.87%)	0.000069999	2.294479272 Hartree
271	RY(5)H12 s(49.00%)p1.04(51.00%)	0.000018636	2.181098003 Hartree
272	RY(1)H13 s(87.68%)p0.14(12.32%)	0.000725175	1.263648559 Hartree
273	RY(2)H13 s(65.18%)p0.53(34.82%)	0.000147357	2.431096533 Hartree
274	RY(3)H13 s(0.80%)p99.99(99.20%)	0.000076972	2.306652774 Hartree
275	RY(4)H13 s(0.00%)p1.00(100.00%)	0.000076980	1.845826601 Hartree
276	RY(5)H13 s(46.41%)p1.15(53.59%)	0.000018151	2.192494669 Hartree
277	RY(1)H14 s(90.29%)p0.11(9.71%)	0.000592471	1.123522834 Hartree
278	RY(2)H14 s(66.48%)p0.50(33.52%)	0.000261463	2.687297504 Hartree
279	RY(3)H14 s(3.50%)p27.54(96.50%)	0.000070874	2.312832194 Hartree
280	RY(4)H14 s(0.00%)p1.00(100.00%)	0.000060630	1.851574158 Hartree
281	RY(5)H14 s(39.81%)p1.51(60.19%)	0.000026261	2.079566007 Hartree
282	RY(1)O15 s(2.64%)p35.75(94.26%)d1.18(3.10%)	0.001881217	1.045099590 Hartree
283	RY(2)O15 s(0.00%)p1.00(98.73%)d0.01(1.27%)	0.001259699	0.596841026 Hartree
284	RY(3)O15 s(9.63%)p8.25(79.40%)d1.14(10.97%)	0.000237175	0.882854781 Hartree
285	RY(4)O15 s(2.17%)p5.34(11.58%)d39.81(86.26%)	0.000151325	2.413801009 Hartree
286	RY(5)O15 s(50.09%)p0.87(43.67%)d0.12(6.25%)	0.000086922	4.797193921 Hartree
287	RY(6)O15 s(0.00%)p1.00(0.57%)d99.99(99.43%)	0.000070947	1.651827540 Hartree
288	RY(7)O15 s(13.42%)p5.66(76.00%)d0.79(10.58%)	0.000061725	1.642205152 Hartree
289	RY(8)O15 s(13.62%)p3.70(50.39%)d2.64(35.99%)	0.000043143	1.644308129 Hartree
290	RY(9)O15 s(0.51%)p65.70(33.66%)d99.99(65.83%)	0.000013339	3.054513570 Hartree
291	RY(10)O15 s(0.00%)p1.00(94.10%)d0.06(5.90%)	0.000011039	1.335758926 Hartree
292	RY(11)O15 s(57.05%)p0.14(8.21%)d0.61(34.74%)	0.000009334	1.382656279 Hartree
293	RY(12)O15 s(6.18%)p9.81(60.61%)d5.37(33.21%)	0.000003403	4.703781485 Hartree
294	RY(13)O15 s(45.12%)p0.63(28.57%)d0.58(26.31%)	0.000001912	2.680781101 Hartree
295	RY(14)O15 s(0.00%)p1.00(62.84%)d0.59(37.16%)	0.000000000	4.543835208 Hartree
296	RY(15)O15 s(0.08%)p99.99(27.95%)d99.99(71.97%)	0.000000167	6.215077086 Hartree
297	RY(16)O15 s(0.00%)p1.00(24.65%)d3.06(75.35%)	0.000000125	3.070359167 Hartree
298	RY(17)O15 s(0.00%)p1.00(15.63%)d5.40(84.37%)	0.000000070	6.277536821 Hartree
299	RY(18)O15 s(10.19%)p5.36(54.57%)d3.46(35.25%)	0.000000895	9.760440047 Hartree
300	RY(19)O15 s(0.00%)p1.00(3.89%)d24.70(96.11%)	0.000000000	6.529073074 Hartree
301	RY(20)O15 s(13.64%)p1.11(15.12%)d5.22(71.24%)	0.000000068	12.237777167 Hartree
302	RY(21)O15 s(59.36%)p0.15(8.64%)d0.54(32.00%)	0.000000288	29.606525697 Hartree
303	RY(22)O15 s(16.37%)p0.50(8.22%)d4.61(75.41%)	0.000000013	12.865056893 Hartree
304	RY(1)H16 s(99.26%)p0.01(0.74%)	0.000259271	0.549777300 Hartree
305	RY(2)H16 s(39.95%)p1.50(60.05%)	0.000057025	2.207764725 Hartree
306	RY(3)H16 s(58.67%)p0.70(41.33%)	0.000039075	2.639867242 Hartree
307	RY(4)H16 s(0.00%)p1.00(100.00%)	0.000026702	1.880794939 Hartree
308	RY(5)H16 s(2.19%)p44.62(97.81%)	0.000003043	2.053969238 Hartree
309	RY(1)H17 s(99.50%)p0.01(0.50%)	0.000708520	0.520104339 Hartree
310	RY(2)H17 s(71.95%)p0.39(28.05%)	0.000114949	2.358514793 Hartree
311	RY(3)H17 s(1.35%)p73.25(98.65%)	0.000051553	2.374257036 Hartree
312	RY(4)H17 s(14.69%)p5.81(85.31%)	0.000020638	1.965927708 Hartree
313	RY(5)H17 s(12.58%)p6.95(87.42%)	0.000010540	2.150232521 Hartree
314	RY(1)H18 s(99.50%)p0.01(0.50%)	0.000708520	0.520104339 Hartree
315	RY(2)H18 s(71.95%)p0.39(28.05%)	0.000114949	2.358514793 Hartree
316	RY(3)H18 s(1.35%)p73.25(98.65%)	0.000051553	2.374257036 Hartree
317	RY(4)H18 s(14.69%)p5.81(85.31%)	0.000020638	1.965927708 Hartree
318	RY(5)H18 s(12.58%)p6.95(87.42%)	0.000010540	2.150232520 Hartree

Natural Bond Orbitals

Display Range		- / 318
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	CR(1)C1	1	1.999992101	-10.592425402 Hartree
2	CR(1)O2	2	1.999997111	-19.673448024 Hartree
3	CR(1)C3	3	1.999991983	-10.675315162 Hartree
4	CR(1)C4	4	1.999993288	-10.561339571 Hartree
5	CR(1)C5	5	1.999993147	-10.552822096 Hartree
6	CR(1)C6	6	1.999993576	-10.551559247 Hartree
7	CR(1)C7	7	1.999993707	-10.555504228 Hartree
8	CR(1)C8	8	1.999993569	-10.552149517 Hartree
9	CR(1)C9	9	1.999993075	-10.555309400 Hartree
10	CR(1)O15	10	1.999997031	-19.613583456 Hartree
11	LP(1)O2	11	1.966916623	-0.603195209 Hartree
12	LP(2)O2	12	1.810465803	-0.403056406 Hartree
13	LP(1)O15	13	1.980573089	-0.658723364 Hartree
14	LP(2)O15	14	1.859461901	-0.343375369 Hartree
15	BD(1)C1-O2	15, 16	1.991216887	-0.833033950 Hartree
16	BD(1)C1-H16	17, 18	1.992862089	-0.574742488 Hartree
17	BD(1)C1-H17	19, 20	1.995028912	-0.573047693 Hartree
18	BD(1)C1-H18	21, 22	1.995028912	-0.573047693 Hartree
19	BD(1)O2-C3	23, 24	1.993267675	-0.925545181 Hartree
20	BD(1)C3-C4	25, 26	1.974074532	-0.668666889 Hartree
21	BD(1)C3-O15	27, 28	1.995166354	-1.036041030 Hartree
22	BD(2)C3-O15	29, 30	1.985399944	-0.462090680 Hartree
23	BD(1)C4-C5	31, 32	1.972271324	-0.675015886 Hartree
24	BD(1)C4-C9	33, 34	1.974267862	-0.679319419 Hartree
25	BD(2)C4-C9	35, 36	1.649035942	-0.301880449 Hartree
26	BD(1)C5-C6	37, 38	1.978097814	-0.677319567 Hartree
27	BD(2)C5-C6	39, 40	1.648986508	-0.298615412 Hartree
28	BD(1)C5-H14	41, 42	1.979226474	-0.553705291 Hartree
29	BD(1)C6-C7	43, 44	1.979055717	-0.678244653 Hartree
30	BD(1)C6-H13	45, 46	1.981295048	-0.559688954 Hartree
31	BD(1)C7-C8	47, 48	1.978985168	-0.678832623 Hartree
32	BD(2)C7-C8	49, 50	1.650384792	-0.300442847 Hartree
33	BD(1)C7-H12	51, 52	1.981390917	-0.562182714 Hartree
34	BD(1)C8-C9	53, 54	1.977937041	-0.678348766 Hartree
35	BD(1)C8-H11	55, 56	1.981230373	-0.560500451 Hartree
36	BD(1)C9-H10	57, 58	1.979608439	-0.558614583 Hartree
37	BD*(1)C1-O2		0.013281903	0.332980776 Hartree
38	BD*(1)C1-H16		0.008678888	0.457378261 Hartree
39	BD*(1)C1-H17		0.013020375	0.452437950 Hartree
40	BD*(1)C1-H18		0.013020375	0.452437950 Hartree
41	BD*(1)O2-C3		0.094893437	0.432447527 Hartree
42	BD*(1)C3-C4		0.065061500	0.478357780 Hartree
43	BD*(1)C3-O15		0.017035178	0.699403694 Hartree
44	BD*(2)C3-O15		0.229902711	0.054648436 Hartree
45	BD*(1)C4-C5		0.021422571	0.624515249 Hartree
46	BD*(1)C4-C9		0.022458553	0.625554408 Hartree
47	BD*(2)C4-C9		0.366060388	0.055125455 Hartree
48	BD*(1)C5-C6		0.014791178	0.634302326 Hartree
49	BD*(2)C5-C6		0.300309247	0.060410387 Hartree
50	BD*(1)C5-H14		0.013944013	0.504765294 Hartree
51	BD*(1)C6-C7		0.016116769	0.625770132 Hartree
52	BD*(1)C6-H13		0.014111263	0.494476615 Hartree
53	BD*(1)C7-C8		0.015998300	0.626228814 Hartree
54	BD*(2)C7-C8		0.323886181	0.055218965 Hartree
55	BD*(1)C7-H12		0.013846186	0.493461871 Hartree
56	BD*(1)C8-C9		0.015440272	0.631394668 Hartree
57	BD*(1)C8-H11		0.013948283	0.493280328 Hartree
58	BD*(1)C9-H10		0.013788924	0.502212133 Hartree
59	RY(1)C1	59	0.002566278	1.144808743 Hartree
60	RY(2)C1	60	0.001424777	1.088298280 Hartree
61	RY(3)C1	61	0.001062531	1.464423549 Hartree
62	RY(4)C1	62	0.000401521	1.556503814 Hartree
63	RY(5)C1	63	0.000171326	1.861163293 Hartree
64	RY(6)C1	64	0.000079826	1.097162985 Hartree
65	RY(7)C1	65	0.000049492	1.540857270 Hartree
66	RY(8)C1	66	0.000029834	2.959879595 Hartree
67	RY(9)C1	67	0.000007460	1.011205570 Hartree
68	RY(10)C1	68	0.000006290	1.670722832 Hartree
69	RY(11)C1	69	0.000002876	1.974960537 Hartree
70	RY(12)C1	70	0.000001303	1.092844667 Hartree
71	RY(13)C1	71	0.000000056	3.067415949 Hartree
72	RY(14)C1	72	0.000000000	3.102581416 Hartree
73	RY(15)C1	73	0.000000102	2.753340494 Hartree
74	RY(16)C1	74	0.000000106	11.187426550 Hartree
75	RY(17)C1	75	0.000000362	7.131268088 Hartree
76	RY(18)C1	76	0.000001237	1.774394080 Hartree
77	RY(19)C1	77	0.000000147	3.724334202 Hartree
78	RY(20)C1	78	0.000000000	2.364949858 Hartree
79	RY(21)C1	79	0.000000980	4.112063954 Hartree
80	RY(22)C1	80	0.000000010	4.050773685 Hartree
81	RY(1)O2	81	0.003411156	0.642161463 Hartree
82	RY(2)O2	82	0.002402890	1.045119434 Hartree
83	RY(3)O2	83	0.000745038	1.607839938 Hartree
84	RY(4)O2	84	0.000441635	1.599683700 Hartree
85	RY(5)O2	85	0.000306785	1.637491458 Hartree
86	RY(6)O2	86	0.000157011	2.540054695 Hartree
87	RY(7)O2	87	0.000121997	2.767012296 Hartree
88	RY(8)O2	88	0.000088780	3.214548050 Hartree
89	RY(9)O2	89	0.000061263	2.024690151 Hartree
90	RY(10)O2	90	0.000057582	1.797354035 Hartree
91	RY(11)O2	91	0.000013015	3.018026602 Hartree
92	RY(12)O2	92	0.000011083	2.288356020 Hartree
93	RY(13)O2	93	0.000006185	5.863949336 Hartree
94	RY(14)O2	94	0.000003414	5.651773363 Hartree
95	RY(15)O2	95	0.000001059	5.492410534 Hartree
96	RY(16)O2	96	0.000000011	46.826141868 Hartree
97	RY(17)O2	97	0.000000000	6.035435448 Hartree
98	RY(18)O2	98	0.000000000	5.320061241 Hartree
99	RY(19)O2	99	0.000000012	4.181235180 Hartree
100	RY(20)O2	100	0.000000594	5.940822622 Hartree
101	RY(21)O2	101	0.000001369	2.103789670 Hartree
102	RY(22)O2	102	0.000000048	7.872937903 Hartree
103	RY(1)C3	103	0.017527309	1.224705284 Hartree
104	RY(2)C3	104	0.005186353	1.679233144 Hartree
105	RY(3)C3	105	0.003394039	2.464362214 Hartree
106	RY(4)C3	106	0.003362590	2.059600234 Hartree
107	RY(5)C3	107	0.001107393	1.517036895 Hartree
108	RY(6)C3	108	0.000787383	3.679194583 Hartree
109	RY(7)C3	109	0.000679990	2.455746858 Hartree
110	RY(8)C3	110	0.000391806	4.066850623 Hartree
111	RY(9)C3	111	0.000235098	3.112869121 Hartree
112	RY(10)C3	112	0.000203471	0.732100063 Hartree
113	RY(11)C3	113	0.000181468	1.963471182 Hartree
114	RY(12)C3	114	0.000101755	5.279549397 Hartree
115	RY(13)C3	115	0.000023062	1.709368032 Hartree
116	RY(14)C3	116	0.000018728	4.444058274 Hartree
117	RY(15)C3	117	0.000009300	2.583626277 Hartree
118	RY(16)C3	118	0.000007536	1.439250502 Hartree
119	RY(17)C3	119	0.000007097	3.103342128 Hartree
120	RY(18)C3	120	0.000003179	2.468468493 Hartree
121	RY(19)C3	121	0.000002122	2.940675551 Hartree
122	RY(20)C3	122	0.000000000	2.824375694 Hartree
123	RY(21)C3	123	0.000000000	2.817608632 Hartree
124	RY(22)C3	124	0.000000405	3.299072905 Hartree
125	RY(1)C4	125	0.007077913	1.444193777 Hartree
126	RY(2)C4	126	0.005438746	1.256935725 Hartree
127	RY(3)C4	127	0.001132814	0.540530882 Hartree
128	RY(4)C4	128	0.000697716	1.802041706 Hartree
129	RY(5)C4	129	0.000589910	2.694901075 Hartree
130	RY(6)C4	130	0.000584719	2.067172577 Hartree
131	RY(7)C4	131	0.000521832	3.078659493 Hartree
132	RY(8)C4	132	0.000423834	3.597919049 Hartree
133	RY(9)C4	133	0.000213044	1.740848928 Hartree
134	RY(10)C4	134	0.000192935	5.403052086 Hartree
135	RY(11)C4	135	0.000138163	3.892641538 Hartree
136	RY(12)C4	136	0.000063620	2.116977846 Hartree
137	RY(13)C4	137	0.000059206	3.875736999 Hartree
138	RY(14)C4	138	0.000033534	2.804802882 Hartree
139	RY(15)C4	139	0.000021898	4.172039970 Hartree
140	RY(16)C4	140	0.000012727	4.288931080 Hartree
141	RY(17)C4	141	0.000005904	3.412604405 Hartree
142	RY(18)C4	142	0.000002040	2.358048865 Hartree
143	RY(19)C4	143	0.000000000	2.192614306 Hartree
144	RY(20)C4	144	0.000000536	7.717869999 Hartree
145	RY(21)C4	145	0.000000000	2.160780715 Hartree
146	RY(22)C4	146	0.000000938	3.400372444 Hartree
147	RY(1)C5	147	0.006063960	1.430912390 Hartree
148	RY(2)C5	148	0.002054615	1.121539353 Hartree
149	RY(3)C5	149	0.001047084	0.514851151 Hartree
150	RY(4)C5	150	0.000560234	2.189768898 Hartree
151	RY(5)C5	151	0.000483017	2.145725437 Hartree
152	RY(6)C5	152	0.000321497	3.313605097 Hartree
153	RY(7)C5	153	0.000223873	3.315082579 Hartree
154	RY(8)C5	154	0.000129009	2.445430834 Hartree
155	RY(9)C5	155	0.000121745	1.914175628 Hartree
156	RY(10)C5	156	0.000041702	4.255169635 Hartree
157	RY(11)C5	157	0.000042516	1.206913073 Hartree
158	RY(12)C5	158	0.000023982	2.085157052 Hartree
159	RY(13)C5	159	0.000021562	4.424946058 Hartree
160	RY(14)C5	160	0.000009601	8.798681482 Hartree
161	RY(15)C5	161	0.000005417	5.703476179 Hartree
162	RY(16)C5	162	0.000006266	3.092222909 Hartree
163	RY(17)C5	163	0.000003079	1.937375768 Hartree
164	RY(18)C5	164	0.000001465	0.508854504 Hartree
165	RY(19)C5	165	0.000001319	3.224269902 Hartree
166	RY(20)C5	166	0.000000000	3.350222982 Hartree
167	RY(21)C5	167	0.000000000	2.927670158 Hartree
168	RY(22)C5	168	0.000000444	3.650844168 Hartree
169	RY(1)C6	169	0.006007931	1.375926915 Hartree
170	RY(2)C6	170	0.001479983	1.403529872 Hartree
171	RY(3)C6	171	0.000893942	0.406237573 Hartree
172	RY(4)C6	172	0.000517522	2.203532326 Hartree
173	RY(5)C6	173	0.000407101	2.373876840 Hartree
174	RY(6)C6	174	0.000344993	2.572738489 Hartree
175	RY(7)C6	175	0.000094525	2.474112604 Hartree
176	RY(8)C6	176	0.000042455	3.226486410 Hartree
177	RY(9)C6	177	0.000029308	2.066793635 Hartree
178	RY(10)C6	178	0.000016786	5.235661766 Hartree
179	RY(11)C6	179	0.000011740	2.445728658 Hartree
180	RY(12)C6	180	0.000010289	1.561833965 Hartree
181	RY(13)C6	181	0.000008136	2.323893238 Hartree
182	RY(14)C6	182	0.000005747	7.938061748 Hartree
183	RY(15)C6	183	0.000003940	5.200914432 Hartree
184	RY(16)C6	184	0.000002009	0.762966427 Hartree
185	RY(17)C6	185	0.000002176	3.177355241 Hartree
186	RY(18)C6	186	0.000000055	1.464115656 Hartree
187	RY(19)C6	187	0.000000000	2.703542998 Hartree
188	RY(20)C6	188	0.000000000	3.343897461 Hartree
189	RY(21)C6	189	0.000000687	4.713619017 Hartree
190	RY(22)C6	190	0.000000153	2.999248286 Hartree
191	RY(1)C7	191	0.006074320	1.363909438 Hartree
192	RY(2)C7	192	0.001467078	1.333347978 Hartree
193	RY(3)C7	193	0.000862885	0.435288227 Hartree
194	RY(4)C7	194	0.000571961	1.885841331 Hartree
195	RY(5)C7	195	0.000441334	2.368222791 Hartree
196	RY(6)C7	196	0.000348990	2.503354088 Hartree
197	RY(7)C7	197	0.000083983	2.450578570 Hartree
198	RY(8)C7	198	0.000031171	1.717587567 Hartree
199	RY(9)C7	199	0.000023187	1.942442204 Hartree
200	RY(10)C7	200	0.000016420	4.650645281 Hartree
201	RY(11)C7	201	0.000011895	3.566000777 Hartree
202	RY(12)C7	202	0.000009073	3.017561986 Hartree
203	RY(13)C7	203	0.000004002	2.855285896 Hartree
204	RY(14)C7	204	0.000002054	2.139238753 Hartree
205	RY(15)C7	205	0.000001245	1.994844190 Hartree
206	RY(16)C7	206	0.000000000	2.659592363 Hartree
207	RY(17)C7	207	0.000000063	15.745860847 Hartree
208	RY(18)C7	208	0.000000151	3.202256976 Hartree
209	RY(19)C7	209	0.000000159	1.121597378 Hartree
210	RY(20)C7	210	0.000000000	3.252915041 Hartree
211	RY(21)C7	211	0.000000920	0.612471787 Hartree
212	RY(22)C7	212	0.000000307	3.469888320 Hartree
213	RY(1)C8	213	0.006069297	1.397825970 Hartree
214	RY(2)C8	214	0.001465007	1.404498465 Hartree
215	RY(3)C8	215	0.000939731	0.438393484 Hartree
216	RY(4)C8	216	0.000513357	2.376199206 Hartree
217	RY(5)C8	217	0.000409008	2.402157697 Hartree
218	RY(6)C8	218	0.000344572	2.524226605 Hartree
219	RY(7)C8	219	0.000092930	2.240709307 Hartree
220	RY(8)C8	220	0.000039765	1.403429836 Hartree
221	RY(9)C8	221	0.000035802	1.323380397 Hartree
222	RY(10)C8	222	0.000034673	2.016027653 Hartree
223	RY(11)C8	223	0.000024998	2.730953588 Hartree
224	RY(12)C8	224	0.000016107	5.623588070 Hartree
225	RY(13)C8	225	0.000007342	4.271440446 Hartree
226	RY(14)C8	226	0.000007508	3.369266151 Hartree
227	RY(15)C8	227	0.000004457	7.144083223 Hartree
228	RY(16)C8	228	0.000000984	3.540030866 Hartree
229	RY(17)C8	229	0.000001379	6.654550390 Hartree
230	RY(18)C8	230	0.000001243	0.717019273 Hartree
231	RY(19)C8	231	0.000000000	3.114937660 Hartree
232	RY(20)C8	232	0.000000066	2.225116840 Hartree
233	RY(21)C8	233	0.000000000	2.458513006 Hartree
234	RY(22)C8	234	0.000000267	3.287562104 Hartree
235	RY(1)C9	235	0.006157804	1.406921300 Hartree
236	RY(2)C9	236	0.001802232	1.219007637 Hartree
237	RY(3)C9	237	0.001375510	0.502257674 Hartree
238	RY(4)C9	238	0.000613471	2.267006107 Hartree
239	RY(5)C9	239	0.000501455	2.192055962 Hartree
240	RY(6)C9	240	0.000446379	2.258828644 Hartree
241	RY(7)C9	241	0.000253190	3.246997768 Hartree
242	RY(8)C9	242	0.000130258	2.582130292 Hartree
243	RY(9)C9	243	0.000069945	1.798977064 Hartree
244	RY(10)C9	244	0.000043819	1.967122530 Hartree
245	RY(11)C9	245	0.000029812	1.041794532 Hartree
246	RY(12)C9	246	0.000019832	1.356431999 Hartree
247	RY(13)C9	247	0.000020297	3.386783868 Hartree
248	RY(14)C9	248	0.000016149	5.817536200 Hartree
249	RY(15)C9	249	0.000013292	6.021674307 Hartree
250	RY(16)C9	250	0.000008309	4.086208031 Hartree
251	RY(17)C9	251	0.000003977	9.537639932 Hartree
252	RY(18)C9	252	0.000000269	1.755074168 Hartree
253	RY(19)C9	253	0.000000000	2.552665659 Hartree
254	RY(20)C9	254	0.000000000	3.260364091 Hartree
255	RY(21)C9	255	0.000000777	5.103113837 Hartree
256	RY(22)C9	256	0.000000221	7.485788947 Hartree
257	RY(1)H10	257	0.000749193	1.221476771 Hartree
258	RY(2)H10	258	0.000241995	2.733564968 Hartree
259	RY(3)H10	259	0.000079702	2.330373855 Hartree
260	RY(4)H10	260	0.000071050	1.857764215 Hartree
261	RY(5)H10	261	0.000020163	2.143441120 Hartree
262	RY(1)H11	262	0.000743950	1.274176305 Hartree
263	RY(2)H11	263	0.000144366	2.430550262 Hartree
264	RY(3)H11	264	0.000074711	1.832804781 Hartree
265	RY(4)H11	265	0.000066364	2.283101722 Hartree
266	RY(5)H11	266	0.000017043	2.151809823 Hartree
267	RY(1)H12	267	0.000635323	1.308901120 Hartree
268	RY(2)H12	268	0.000127756	2.361547436 Hartree
269	RY(3)H12	269	0.000073754	1.842299615 Hartree
270	RY(4)H12	270	0.000069999	2.294479272 Hartree
271	RY(5)H12	271	0.000018636	2.181098003 Hartree
272	RY(1)H13	272	0.000725175	1.263648559 Hartree
273	RY(2)H13	273	0.000147357	2.431096533 Hartree
274	RY(3)H13	274	0.000076972	2.306652774 Hartree
275	RY(4)H13	275	0.000076980	1.845826601 Hartree
276	RY(5)H13	276	0.000018151	2.192494669 Hartree
277	RY(1)H14	277	0.000592471	1.123522834 Hartree
278	RY(2)H14	278	0.000261463	2.687297504 Hartree
279	RY(3)H14	279	0.000070874	2.312832194 Hartree
280	RY(4)H14	280	0.000060630	1.851574158 Hartree
281	RY(5)H14	281	0.000026261	2.079566007 Hartree
282	RY(1)O15	282	0.001881217	1.045099590 Hartree
283	RY(2)O15	283	0.001259699	0.596841026 Hartree
284	RY(3)O15	284	0.000237175	0.882854781 Hartree
285	RY(4)O15	285	0.000151325	2.413801009 Hartree
286	RY(5)O15	286	0.000086922	4.797193921 Hartree
287	RY(6)O15	287	0.000070947	1.651827540 Hartree
288	RY(7)O15	288	0.000061725	1.642205152 Hartree
289	RY(8)O15	289	0.000043143	1.644308129 Hartree
290	RY(9)O15	290	0.000013339	3.054513570 Hartree
291	RY(10)O15	291	0.000011039	1.335758926 Hartree
292	RY(11)O15	292	0.000009334	1.382656279 Hartree
293	RY(12)O15	293	0.000003403	4.703781485 Hartree
294	RY(13)O15	294	0.000001912	2.680781101 Hartree
295	RY(14)O15	295	0.000000000	4.543835208 Hartree
296	RY(15)O15	296	0.000000167	6.215077086 Hartree
297	RY(16)O15	297	0.000000125	3.070359167 Hartree
298	RY(17)O15	298	0.000000070	6.277536821 Hartree
299	RY(18)O15	299	0.000000895	9.760440047 Hartree
300	RY(19)O15	300	0.000000000	6.529073074 Hartree
301	RY(20)O15	301	0.000000068	12.237777167 Hartree
302	RY(21)O15	302	0.000000288	29.606525697 Hartree
303	RY(22)O15	303	0.000000013	12.865056893 Hartree
304	RY(1)H16	304	0.000259271	0.549777300 Hartree
305	RY(2)H16	305	0.000057025	2.207764725 Hartree
306	RY(3)H16	306	0.000039075	2.639867242 Hartree
307	RY(4)H16	307	0.000026702	1.880794939 Hartree
308	RY(5)H16	308	0.000003043	2.053969238 Hartree
309	RY(1)H17	309	0.000708520	0.520104339 Hartree
310	RY(2)H17	310	0.000114949	2.358514793 Hartree
311	RY(3)H17	311	0.000051553	2.374257036 Hartree
312	RY(4)H17	312	0.000020638	1.965927708 Hartree
313	RY(5)H17	313	0.000010540	2.150232521 Hartree
314	RY(1)H18	314	0.000708520	0.520104339 Hartree
315	RY(2)H18	315	0.000114949	2.358514793 Hartree
316	RY(3)H18	316	0.000051553	2.374257036 Hartree
317	RY(4)H18	317	0.000020638	1.965927708 Hartree
318	RY(5)H18	318	0.000010540	2.150232520 Hartree

Quote

POCKETA-POCKETA BARON VON RICHTOFEN SLAUGHTERED THE ALLIES WITH HARDLY A CARE. KILLED EIGHTY-ONE WITH HIS BLOOD-COLORED TRIPLANE, THEN UN-AEROBATICALLY PLUNGED FROM THE AIR. -- TONY HOFFMAN

WebMO Job Summary

124696: 11. Methyl benzoate, Natural Bond Orbitals 6.0/NRT - Gaussian

Calculated Quantities

Overview

Rotational Constants

Partial Charges

Molecular Orbitals

Natural Population Analysis

Natural Atomic Orbitals

Natural Hybrid Orbitals

Natural Bond Orbitals

Quote