WebMO Job Summary

Overview

Quantity	Value
Route	#N MP2/6-311+G(2d,p) SP GFINPUT POP=(FULL,NBORead) Geom=Connectivity
Stoichiometry	C₇H₁₄O₂
Symmetry	C1
Basis	6-311+G(2d,p)
RHF Energy	-423.102370656 Hartree
MP2 Energy	-424.61908996788 Hartree
Dipole Moment	2.1972 Debye
Server	default (2765827)
CPU time	651.1 sec

Rotational Constants

Constant	Frequency (GHz)	Frequency (cm^-1)
a	4.2973645	0.14334465012
b	0.6120438	0.02041558364
c	0.5581741	0.01861868386

Molecular Orbitals

Display Range		- / 327
Orbital	Symmetry	Occupancy	Energy	Actions
1	-	2	-20.59915 Hartree
2	-	2	-20.54319 Hartree
3	-	2	-11.38087 Hartree
4	-	2	-11.28305 Hartree
5	-	2	-11.23966 Hartree
6	-	2	-11.23169 Hartree
7	-	2	-11.22330 Hartree
8	-	2	-11.21527 Hartree
9	-	2	-11.21483 Hartree
10	-	2	-1.45482 Hartree
11	-	2	-1.35483 Hartree
12	-	2	-1.10507 Hartree
13	-	2	-1.03690 Hartree
14	-	2	-0.98624 Hartree
15	-	2	-0.93440 Hartree
16	-	2	-0.86910 Hartree
17	-	2	-0.78389 Hartree
18	-	2	-0.76755 Hartree
19	-	2	-0.69003 Hartree
20	-	2	-0.68323 Hartree
21	-	2	-0.66750 Hartree
22	-	2	-0.63523 Hartree
23	-	2	-0.60188 Hartree
24	-	2	-0.59972 Hartree
25	-	2	-0.58370 Hartree
26	-	2	-0.56917 Hartree
27	-	2	-0.54652 Hartree
28	-	2	-0.54076 Hartree
29	-	2	-0.53233 Hartree
30	-	2	-0.51239 Hartree
31	-	2	-0.50151 Hartree
32	-	2	-0.47364 Hartree
33	-	2	-0.46753 Hartree
34	-	2	-0.46679 Hartree
35	-	2	-0.45528 Hartree
36	-	2	-0.44366 Hartree
37	-	0	0.06794 Hartree
38	-	0	0.07394 Hartree
39	-	0	0.08070 Hartree
40	-	0	0.08509 Hartree
41	-	0	0.09188 Hartree
42	-	0	0.10304 Hartree
43	-	0	0.10523 Hartree
44	-	0	0.11415 Hartree
45	-	0	0.11639 Hartree
46	-	0	0.11905 Hartree
47	-	0	0.12401 Hartree
48	-	0	0.12889 Hartree
49	-	0	0.14790 Hartree
50	-	0	0.15094 Hartree
51	-	0	0.15929 Hartree
52	-	0	0.16328 Hartree
53	-	0	0.16868 Hartree
54	-	0	0.17256 Hartree
55	-	0	0.17788 Hartree
56	-	0	0.18268 Hartree
57	-	0	0.19082 Hartree
58	-	0	0.21056 Hartree
59	-	0	0.21951 Hartree
60	-	0	0.22185 Hartree
61	-	0	0.23957 Hartree
62	-	0	0.25456 Hartree
63	-	0	0.25838 Hartree
64	-	0	0.26892 Hartree
65	-	0	0.28208 Hartree
66	-	0	0.28501 Hartree
67	-	0	0.29760 Hartree
68	-	0	0.31166 Hartree
69	-	0	0.31948 Hartree
70	-	0	0.32102 Hartree
71	-	0	0.32947 Hartree
72	-	0	0.33693 Hartree
73	-	0	0.34351 Hartree
74	-	0	0.34788 Hartree
75	-	0	0.36343 Hartree
76	-	0	0.36886 Hartree
77	-	0	0.37230 Hartree
78	-	0	0.37397 Hartree
79	-	0	0.38227 Hartree
80	-	0	0.38763 Hartree
81	-	0	0.39256 Hartree
82	-	0	0.40077 Hartree
83	-	0	0.40423 Hartree
84	-	0	0.41767 Hartree
85	-	0	0.42645 Hartree
86	-	0	0.43121 Hartree
87	-	0	0.44360 Hartree
88	-	0	0.45039 Hartree
89	-	0	0.45362 Hartree
90	-	0	0.46773 Hartree
91	-	0	0.49397 Hartree
92	-	0	0.50936 Hartree
93	-	0	0.52298 Hartree
94	-	0	0.53244 Hartree
95	-	0	0.54182 Hartree
96	-	0	0.55554 Hartree
97	-	0	0.56128 Hartree
98	-	0	0.58454 Hartree
99	-	0	0.60237 Hartree
100	-	0	0.61471 Hartree
101	-	0	0.63179 Hartree
102	-	0	0.64272 Hartree
103	-	0	0.64536 Hartree
104	-	0	0.66602 Hartree
105	-	0	0.68155 Hartree
106	-	0	0.70333 Hartree
107	-	0	0.71524 Hartree
108	-	0	0.74218 Hartree
109	-	0	0.75196 Hartree
110	-	0	0.75664 Hartree
111	-	0	0.76318 Hartree
112	-	0	0.78390 Hartree
113	-	0	0.79828 Hartree
114	-	0	0.80155 Hartree
115	-	0	0.80493 Hartree
116	-	0	0.82757 Hartree
117	-	0	0.83186 Hartree
118	-	0	0.84222 Hartree
119	-	0	0.84819 Hartree
120	-	0	0.85204 Hartree
121	-	0	0.86364 Hartree
122	-	0	0.87206 Hartree
123	-	0	0.89006 Hartree
124	-	0	0.91255 Hartree
125	-	0	0.91753 Hartree
126	-	0	0.92535 Hartree
127	-	0	0.93809 Hartree
128	-	0	0.94466 Hartree
129	-	0	0.95116 Hartree
130	-	0	0.95641 Hartree
131	-	0	0.96514 Hartree
132	-	0	0.99847 Hartree
133	-	0	1.00185 Hartree
134	-	0	1.01106 Hartree
135	-	0	1.01458 Hartree
136	-	0	1.03321 Hartree
137	-	0	1.05902 Hartree
138	-	0	1.06920 Hartree
139	-	0	1.09164 Hartree
140	-	0	1.11411 Hartree
141	-	0	1.12161 Hartree
142	-	0	1.14485 Hartree
143	-	0	1.14993 Hartree
144	-	0	1.16587 Hartree
145	-	0	1.20793 Hartree
146	-	0	1.21362 Hartree
147	-	0	1.25527 Hartree
148	-	0	1.26622 Hartree
149	-	0	1.26995 Hartree
150	-	0	1.28980 Hartree
151	-	0	1.29997 Hartree
152	-	0	1.31238 Hartree
153	-	0	1.32658 Hartree
154	-	0	1.33334 Hartree
155	-	0	1.34521 Hartree
156	-	0	1.38418 Hartree
157	-	0	1.39666 Hartree
158	-	0	1.41198 Hartree
159	-	0	1.42404 Hartree
160	-	0	1.42762 Hartree
161	-	0	1.45106 Hartree
162	-	0	1.46992 Hartree
163	-	0	1.48149 Hartree
164	-	0	1.50080 Hartree
165	-	0	1.51731 Hartree
166	-	0	1.52883 Hartree
167	-	0	1.53722 Hartree
168	-	0	1.54923 Hartree
169	-	0	1.56344 Hartree
170	-	0	1.60087 Hartree
171	-	0	1.60969 Hartree
172	-	0	1.66762 Hartree
173	-	0	1.68963 Hartree
174	-	0	1.70252 Hartree
175	-	0	1.70781 Hartree
176	-	0	1.74900 Hartree
177	-	0	1.75839 Hartree
178	-	0	1.76827 Hartree
179	-	0	1.79433 Hartree
180	-	0	1.83120 Hartree
181	-	0	1.84177 Hartree
182	-	0	1.85690 Hartree
183	-	0	1.87880 Hartree
184	-	0	1.93347 Hartree
185	-	0	1.95986 Hartree
186	-	0	1.96623 Hartree
187	-	0	1.98816 Hartree
188	-	0	2.01500 Hartree
189	-	0	2.05688 Hartree
190	-	0	2.06136 Hartree
191	-	0	2.07821 Hartree
192	-	0	2.12943 Hartree
193	-	0	2.13644 Hartree
194	-	0	2.16796 Hartree
195	-	0	2.18468 Hartree
196	-	0	2.21535 Hartree
197	-	0	2.24414 Hartree
198	-	0	2.27090 Hartree
199	-	0	2.29545 Hartree
200	-	0	2.32875 Hartree
201	-	0	2.35710 Hartree
202	-	0	2.37837 Hartree
203	-	0	2.38348 Hartree
204	-	0	2.44714 Hartree
205	-	0	2.48267 Hartree
206	-	0	2.50387 Hartree
207	-	0	2.52436 Hartree
208	-	0	2.54593 Hartree
209	-	0	2.54751 Hartree
210	-	0	2.55328 Hartree
211	-	0	2.58354 Hartree
212	-	0	2.60075 Hartree
213	-	0	2.60839 Hartree
214	-	0	2.62116 Hartree
215	-	0	2.63362 Hartree
216	-	0	2.64993 Hartree
217	-	0	2.66528 Hartree
218	-	0	2.67540 Hartree
219	-	0	2.69023 Hartree
220	-	0	2.71063 Hartree
221	-	0	2.72673 Hartree
222	-	0	2.72841 Hartree
223	-	0	2.74674 Hartree
224	-	0	2.75779 Hartree
225	-	0	2.76439 Hartree
226	-	0	2.77238 Hartree
227	-	0	2.79425 Hartree
228	-	0	2.81969 Hartree
229	-	0	2.87717 Hartree
230	-	0	2.89859 Hartree
231	-	0	2.91031 Hartree
232	-	0	2.96120 Hartree
233	-	0	2.98194 Hartree
234	-	0	2.99386 Hartree
235	-	0	3.00377 Hartree
236	-	0	3.02642 Hartree
237	-	0	3.04123 Hartree
238	-	0	3.05767 Hartree
239	-	0	3.08512 Hartree
240	-	0	3.10969 Hartree
241	-	0	3.16308 Hartree
242	-	0	3.18639 Hartree
243	-	0	3.21840 Hartree
244	-	0	3.24123 Hartree
245	-	0	3.25467 Hartree
246	-	0	3.28799 Hartree
247	-	0	3.33298 Hartree
248	-	0	3.38410 Hartree
249	-	0	3.45119 Hartree
250	-	0	3.52872 Hartree
251	-	0	3.55742 Hartree
252	-	0	3.58028 Hartree
253	-	0	3.62644 Hartree
254	-	0	3.64368 Hartree
255	-	0	3.65546 Hartree
256	-	0	3.67097 Hartree
257	-	0	3.67661 Hartree
258	-	0	3.69992 Hartree
259	-	0	3.70621 Hartree
260	-	0	3.72131 Hartree
261	-	0	3.72817 Hartree
262	-	0	3.76528 Hartree
263	-	0	3.78156 Hartree
264	-	0	3.78752 Hartree
265	-	0	3.81524 Hartree
266	-	0	3.83608 Hartree
267	-	0	3.84493 Hartree
268	-	0	3.87830 Hartree
269	-	0	3.89203 Hartree
270	-	0	3.90306 Hartree
271	-	0	3.91143 Hartree
272	-	0	3.92913 Hartree
273	-	0	3.94589 Hartree
274	-	0	3.97545 Hartree
275	-	0	3.98523 Hartree
276	-	0	4.02438 Hartree
277	-	0	4.04759 Hartree
278	-	0	4.06440 Hartree
279	-	0	4.07432 Hartree
280	-	0	4.09526 Hartree
281	-	0	4.11065 Hartree
282	-	0	4.12372 Hartree
283	-	0	4.14908 Hartree
284	-	0	4.18956 Hartree
285	-	0	4.23780 Hartree
286	-	0	4.25921 Hartree
287	-	0	4.29495 Hartree
288	-	0	4.35919 Hartree
289	-	0	4.50666 Hartree
290	-	0	4.59227 Hartree
291	-	0	4.60146 Hartree
292	-	0	4.61889 Hartree
293	-	0	4.64009 Hartree
294	-	0	4.66665 Hartree
295	-	0	4.67616 Hartree
296	-	0	4.67995 Hartree
297	-	0	4.69512 Hartree
298	-	0	4.78320 Hartree
299	-	0	4.82131 Hartree
300	-	0	4.90694 Hartree
301	-	0	4.96668 Hartree
302	-	0	5.03245 Hartree
303	-	0	5.59352 Hartree
304	-	0	5.64132 Hartree
305	-	0	5.86078 Hartree
306	-	0	5.96993 Hartree
307	-	0	6.35210 Hartree
308	-	0	6.64978 Hartree
309	-	0	7.33615 Hartree
310	-	0	7.44965 Hartree
311	-	0	7.50639 Hartree
312	-	0	7.57380 Hartree
313	-	0	7.59132 Hartree
314	-	0	7.67914 Hartree
315	-	0	7.77927 Hartree
316	-	0	7.81603 Hartree
317	-	0	7.99631 Hartree
318	-	0	8.05336 Hartree
319	-	0	25.01742 Hartree
320	-	0	25.11657 Hartree
321	-	0	25.13809 Hartree
322	-	0	25.15979 Hartree
323	-	0	25.19439 Hartree
324	-	0	25.22193 Hartree
325	-	0	25.31099 Hartree
326	-	0	51.71402 Hartree
327	-	0	51.71849 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom	Symbol	Charge
1	C	-0.49024
2	C	-0.19743
3	C	-0.34682
4	C	0.05907
5	O	-0.66866
6	C	0.98317
7	C	-0.60178
8	H	0.20422
9	H	0.20102
10	H	0.20423
11	O	-0.70973
12	H	0.16230
13	H	0.15787
14	H	0.17780
15	H	0.17060
16	C	-0.50041
17	H	0.17573
18	H	0.17445
19	H	0.16812
20	H	0.16133
21	H	0.17391
22	H	0.16788
23	H	0.17337

Natural Atomic Orbitals

Display Range		- / 327
Orbital	Description	Occupancy	Energy	Actions
1	C1 Cor(1S)	1.999449126	-11.059927412 Hartree
2	C1 Val(2S)	1.070283701	-0.252688630 Hartree
3	C1 Ryd(4S)	0.000565364	1.053747519 Hartree
4	C1 Ryd(3S)	0.000374454	0.706132400 Hartree
5	C1 Ryd(5S)	0.000001315	24.441094511 Hartree
6	C1 Val(2p)	1.108723821	-0.060917521 Hartree
7	C1 Ryd(4p)	0.002253947	0.788109471 Hartree
8	C1 Ryd(3p)	0.000434026	0.272175914 Hartree
9	C1 Ryd(5p)	0.000055689	3.645897780 Hartree
10	C1 Val(2p)	1.124253586	-0.062782452 Hartree
11	C1 Ryd(4p)	0.002400878	0.777253591 Hartree
12	C1 Ryd(3p)	0.000393536	0.299046763 Hartree
13	C1 Ryd(5p)	0.000050763	3.669397912 Hartree
14	C1 Val(2p)	1.169184887	-0.071155722 Hartree
15	C1 Ryd(4p)	0.001473012	0.768894804 Hartree
16	C1 Ryd(3p)	0.000183840	0.268652294 Hartree
17	C1 Ryd(5p)	0.000022709	3.636118828 Hartree
18	C1 Ryd(3d)	0.002728997	2.031277730 Hartree
19	C1 Ryd(4d)	0.000039214	3.564879031 Hartree
20	C1 Ryd(3d)	0.000740358	1.726473195 Hartree
21	C1 Ryd(4d)	0.000140156	3.325104236 Hartree
22	C1 Ryd(3d)	0.001958939	1.862717977 Hartree
23	C1 Ryd(4d)	0.000081829	3.449006666 Hartree
24	C1 Ryd(3d)	0.001120949	1.829153746 Hartree
25	C1 Ryd(4d)	0.000114130	3.437123181 Hartree
26	C1 Ryd(3d)	0.003195074	1.959607703 Hartree
27	C1 Ryd(4d)	0.000018571	3.533018562 Hartree
28	C2 Cor(1S)	1.999359455	-11.081179616 Hartree
29	C2 Val(2S)	0.967567072	-0.208468710 Hartree
30	C2 Ryd(3S)	0.002072417	0.919120533 Hartree
31	C2 Ryd(4S)	0.000610665	1.461035139 Hartree
32	C2 Ryd(5S)	0.000002228	24.149082238 Hartree
33	C2 Val(2p)	1.035359872	-0.049735754 Hartree
34	C2 Ryd(4p)	0.002173830	0.880545603 Hartree
35	C2 Ryd(3p)	0.000548543	0.853221547 Hartree
36	C2 Ryd(5p)	0.000115644	3.375522107 Hartree
37	C2 Val(2p)	1.048591073	-0.054920862 Hartree
38	C2 Ryd(4p)	0.002466648	0.882897071 Hartree
39	C2 Ryd(3p)	0.000470603	0.816923840 Hartree
40	C2 Ryd(5p)	0.000115535	3.347529918 Hartree
41	C2 Val(2p)	1.124047499	-0.062211042 Hartree
42	C2 Ryd(4p)	0.003655159	0.899404867 Hartree
43	C2 Ryd(3p)	0.000477006	0.753469555 Hartree
44	C2 Ryd(5p)	0.000129984	3.387594697 Hartree
45	C2 Ryd(3d)	0.001713542	2.002393555 Hartree
46	C2 Ryd(4d)	0.000217600	3.842798506 Hartree
47	C2 Ryd(3d)	0.000710116	1.817291792 Hartree
48	C2 Ryd(4d)	0.000397457	3.518756763 Hartree
49	C2 Ryd(3d)	0.001979441	1.919811522 Hartree
50	C2 Ryd(4d)	0.000183920	3.668990809 Hartree
51	C2 Ryd(3d)	0.000876777	1.871514300 Hartree
52	C2 Ryd(4d)	0.000434940	3.686791747 Hartree
53	C2 Ryd(3d)	0.003021291	1.952630164 Hartree
54	C2 Ryd(4d)	0.000129220	3.762116692 Hartree
55	C3 Cor(1S)	1.999339827	-11.068265961 Hartree
56	C3 Val(2S)	1.016870927	-0.228491488 Hartree
57	C3 Ryd(4S)	0.002321776	1.146569370 Hartree
58	C3 Ryd(3S)	0.000603887	0.968090701 Hartree
59	C3 Ryd(5S)	0.000002987	24.313392232 Hartree
60	C3 Val(2p)	1.028049759	-0.048021797 Hartree
61	C3 Ryd(4p)	0.003656775	0.922688323 Hartree
62	C3 Ryd(3p)	0.000730536	0.682740736 Hartree
63	C3 Ryd(5p)	0.000159353	3.704807498 Hartree
64	C3 Val(2p)	1.114622824	-0.068583042 Hartree
65	C3 Ryd(4p)	0.003012295	0.824117421 Hartree
66	C3 Ryd(3p)	0.000513590	0.461651619 Hartree
67	C3 Ryd(5p)	0.000103789	3.673473080 Hartree
68	C3 Val(2p)	1.162513597	-0.068977123 Hartree
69	C3 Ryd(4p)	0.003446032	0.900609939 Hartree
70	C3 Ryd(3p)	0.000581218	0.346610019 Hartree
71	C3 Ryd(5p)	0.000055954	3.702876881 Hartree
72	C3 Ryd(3d)	0.002413230	1.997270354 Hartree
73	C3 Ryd(4d)	0.000110650	3.855162975 Hartree
74	C3 Ryd(3d)	0.000578677	1.692799104 Hartree
75	C3 Ryd(4d)	0.000334050	3.449319420 Hartree
76	C3 Ryd(3d)	0.002183873	1.783159102 Hartree
77	C3 Ryd(4d)	0.000163087	3.662152313 Hartree
78	C3 Ryd(3d)	0.000881154	1.814928675 Hartree
79	C3 Ryd(4d)	0.000442838	3.770907149 Hartree
80	C3 Ryd(3d)	0.003060941	1.869269003 Hartree
81	C3 Ryd(4d)	0.000067280	3.747420872 Hartree
82	C4 Cor(1S)	1.999224424	-11.147160564 Hartree
83	C4 Val(2S)	1.006859462	-0.238193623 Hartree
84	C4 Ryd(4S)	0.003075493	1.214421594 Hartree
85	C4 Ryd(3S)	0.000354176	1.132192887 Hartree
86	C4 Ryd(5S)	0.000005894	24.130546970 Hartree
87	C4 Val(2p)	0.778122035	0.011473182 Hartree
88	C4 Ryd(4p)	0.004047898	1.242853146 Hartree
89	C4 Ryd(3p)	0.000759858	0.997732787 Hartree
90	C4 Ryd(5p)	0.000160086	3.193296492 Hartree
91	C4 Val(2p)	0.990080394	-0.045156742 Hartree
92	C4 Ryd(4p)	0.002696266	0.917759908 Hartree
93	C4 Ryd(3p)	0.000526950	0.589871286 Hartree
94	C4 Ryd(5p)	0.000131129	3.324693181 Hartree
95	C4 Val(2p)	1.140935966	-0.079039220 Hartree
96	C4 Ryd(4p)	0.001602374	0.932865667 Hartree
97	C4 Ryd(3p)	0.000624426	0.436534909 Hartree
98	C4 Ryd(5p)	0.000106789	3.393431693 Hartree
99	C4 Ryd(3d)	0.002500897	2.324309980 Hartree
100	C4 Ryd(4d)	0.000185452	3.690908034 Hartree
101	C4 Ryd(3d)	0.000438492	1.832413218 Hartree
102	C4 Ryd(4d)	0.000224970	3.186556439 Hartree
103	C4 Ryd(3d)	0.002679143	2.048916422 Hartree
104	C4 Ryd(4d)	0.000267874	3.469429231 Hartree
105	C4 Ryd(3d)	0.001126873	2.028498727 Hartree
106	C4 Ryd(4d)	0.000405740	3.508316268 Hartree
107	C4 Ryd(3d)	0.003604413	2.094746059 Hartree
108	C4 Ryd(4d)	0.000185169	3.527777538 Hartree
109	O5 Cor(1S)	1.999731015	-20.382004832 Hartree
110	O5 Val(2S)	1.628954126	-1.132562161 Hartree
111	O5 Ryd(4S)	0.003039176	1.375654784 Hartree
112	O5 Ryd(3S)	0.000307449	1.329545380 Hartree
113	O5 Ryd(5S)	0.000000994	51.231584831 Hartree
114	O5 Val(2p)	1.406238386	-0.378720377 Hartree
115	O5 Ryd(4p)	0.002501761	1.596920369 Hartree
116	O5 Ryd(3p)	0.000787645	1.380587402 Hartree
117	O5 Ryd(5p)	0.000119633	5.641929870 Hartree
118	O5 Val(2p)	1.760979235	-0.484041077 Hartree
119	O5 Ryd(3p)	0.003110358	0.929734539 Hartree
120	O5 Ryd(4p)	0.000230577	1.210501625 Hartree
121	O5 Ryd(5p)	0.000113821	5.616815309 Hartree
122	O5 Val(2p)	1.842624812	-0.487922270 Hartree
123	O5 Ryd(3p)	0.003258167	0.794004761 Hartree
124	O5 Ryd(4p)	0.000467904	1.118589500 Hartree
125	O5 Ryd(5p)	0.000013080	5.535535724 Hartree
126	O5 Ryd(3d)	0.006456746	2.524997237 Hartree
127	O5 Ryd(4d)	0.000059265	7.722185325 Hartree
128	O5 Ryd(3d)	0.001162581	1.977033471 Hartree
129	O5 Ryd(4d)	0.000081570	7.445438494 Hartree
130	O5 Ryd(3d)	0.003090564	1.953834647 Hartree
131	O5 Ryd(4d)	0.000016966	7.424118960 Hartree
132	O5 Ryd(3d)	0.002421693	2.168016116 Hartree
133	O5 Ryd(4d)	0.000107487	7.587582318 Hartree
134	O5 Ryd(3d)	0.002783003	2.077117369 Hartree
135	O5 Ryd(4d)	0.000005786	7.471871795 Hartree
136	C6 Cor(1S)	1.999508014	-11.257752068 Hartree
137	C6 Val(2S)	0.776153015	-0.087932875 Hartree
138	C6 Ryd(3S)	0.003448539	0.958095269 Hartree
139	C6 Ryd(4S)	0.000105069	6.294025004 Hartree
140	C6 Ryd(5S)	0.000044746	18.175412729 Hartree
141	C6 Val(2p)	0.790577973	0.044455740 Hartree
142	C6 Ryd(4p)	0.004899860	1.676435552 Hartree
143	C6 Ryd(3p)	0.000507949	0.524575648 Hartree
144	C6 Ryd(5p)	0.000165237	2.478656258 Hartree
145	C6 Val(2p)	0.766701614	0.069103738 Hartree
146	C6 Ryd(4p)	0.017891422	1.405206243 Hartree
147	C6 Ryd(3p)	0.000687066	0.499584118 Hartree
148	C6 Ryd(5p)	0.000131754	2.717156475 Hartree
149	C6 Val(2p)	0.643432639	0.002519889 Hartree
150	C6 Ryd(4p)	0.003159232	1.055031865 Hartree
151	C6 Ryd(3p)	0.000478880	0.417609603 Hartree
152	C6 Ryd(5p)	0.000276228	2.717797848 Hartree
153	C6 Ryd(4d)	0.002858844	3.727738558 Hartree
154	C6 Ryd(3d)	0.000025375	3.501745570 Hartree
155	C6 Ryd(4d)	0.000996083	3.003749338 Hartree
156	C6 Ryd(3d)	0.000028926	2.720207646 Hartree
157	C6 Ryd(4d)	0.001851528	3.232102880 Hartree
158	C6 Ryd(3d)	0.000115619	2.831535192 Hartree
159	C6 Ryd(4d)	0.001848651	3.679326114 Hartree
160	C6 Ryd(3d)	0.000048680	3.361205751 Hartree
161	C6 Ryd(4d)	0.000724321	3.176875988 Hartree
162	C6 Ryd(3d)	0.000158977	2.892699953 Hartree
163	C7 Cor(1S)	1.999373182	-11.088775383 Hartree
164	C7 Val(2S)	1.112001994	-0.302933600 Hartree
165	C7 Ryd(4S)	0.000497591	1.297351920 Hartree
166	C7 Ryd(3S)	0.000144894	0.763900776 Hartree
167	C7 Ryd(5S)	0.000000999	24.433556367 Hartree
168	C7 Val(2p)	1.121446328	-0.099677941 Hartree
169	C7 Ryd(4p)	0.001740596	0.892872013 Hartree
170	C7 Ryd(3p)	0.000240970	0.334529573 Hartree
171	C7 Ryd(5p)	0.000077677	3.362259988 Hartree
172	C7 Val(2p)	1.157488434	-0.103271182 Hartree
173	C7 Ryd(4p)	0.001849354	0.856733839 Hartree
174	C7 Ryd(3p)	0.000181932	0.357540296 Hartree
175	C7 Ryd(5p)	0.000032087	3.345089379 Hartree
176	C7 Val(2p)	1.193703599	-0.110713042 Hartree
177	C7 Ryd(4p)	0.000406293	0.789365319 Hartree
178	C7 Ryd(3p)	0.000117350	0.278382646 Hartree
179	C7 Ryd(5p)	0.000027342	3.378215294 Hartree
180	C7 Ryd(3d)	0.004208714	2.040133026 Hartree
181	C7 Ryd(4d)	0.000073683	3.544280800 Hartree
182	C7 Ryd(3d)	0.001082334	1.451571153 Hartree
183	C7 Ryd(4d)	0.000125853	3.278504048 Hartree
184	C7 Ryd(3d)	0.002419460	1.791422585 Hartree
185	C7 Ryd(4d)	0.000054391	3.474964632 Hartree
186	C7 Ryd(3d)	0.001413409	1.684543802 Hartree
187	C7 Ryd(4d)	0.000122709	3.440967427 Hartree
188	C7 Ryd(3d)	0.002903217	1.851747128 Hartree
189	C7 Ryd(4d)	0.000044110	3.522788405 Hartree
190	H8 Val(1S)	0.794342312	0.078339443 Hartree
191	H8 Ryd(2S)	0.000849077	0.814500441 Hartree
192	H8 Ryd(3S)	0.000079179	2.403983962 Hartree
193	H8 Ryd(2p)	0.000097278	2.255620480 Hartree
194	H8 Ryd(2p)	0.000110509	2.317810545 Hartree
195	H8 Ryd(2p)	0.000301954	3.014370188 Hartree
196	H9 Val(1S)	0.797707083	0.090838299 Hartree
197	H9 Ryd(2S)	0.000649987	0.895062029 Hartree
198	H9 Ryd(3S)	0.000075507	2.293241768 Hartree
199	H9 Ryd(2p)	0.000277740	2.980911242 Hartree
200	H9 Ryd(2p)	0.000175507	2.464776382 Hartree
201	H9 Ryd(2p)	0.000096900	2.184176959 Hartree
202	H10 Val(1S)	0.794335598	0.078260415 Hartree
203	H10 Ryd(2S)	0.000845950	0.812420745 Hartree
204	H10 Ryd(3S)	0.000079365	2.405396525 Hartree
205	H10 Ryd(2p)	0.000096321	2.253407185 Hartree
206	H10 Ryd(2p)	0.000235968	2.796823209 Hartree
207	H10 Ryd(2p)	0.000177855	2.536983328 Hartree
208	O11 Cor(1S)	1.999742156	-20.263568093 Hartree
209	O11 Val(2S)	1.702631750	-1.141175948 Hartree
210	O11 Ryd(3S)	0.000449160	1.540674595 Hartree
211	O11 Ryd(4S)	0.000158746	2.166102163 Hartree
212	O11 Ryd(5S)	0.000000493	51.088413667 Hartree
213	O11 Val(2p)	1.881582831	-0.433419870 Hartree
214	O11 Ryd(3p)	0.002367728	0.939314074 Hartree
215	O11 Ryd(4p)	0.000092777	1.357483964 Hartree
216	O11 Ryd(5p)	0.000008587	5.641124307 Hartree
217	O11 Val(2p)	1.579814554	-0.402877614 Hartree
218	O11 Ryd(3p)	0.000925210	0.852479534 Hartree
219	O11 Ryd(4p)	0.000129234	1.568305139 Hartree
220	O11 Ryd(5p)	0.000078560	5.894272013 Hartree
221	O11 Val(2p)	1.512516815	-0.326223493 Hartree
222	O11 Ryd(3p)	0.000915531	0.785841262 Hartree
223	O11 Ryd(4p)	0.000082824	1.223301468 Hartree
224	O11 Ryd(5p)	0.000014879	5.475301432 Hartree
225	O11 Ryd(3d)	0.006732641	2.097301902 Hartree
226	O11 Ryd(4d)	0.000106832	7.557955922 Hartree
227	O11 Ryd(3d)	0.000638558	1.801958184 Hartree
228	O11 Ryd(4d)	0.000011807	7.330067963 Hartree
229	O11 Ryd(3d)	0.008740498	2.022565245 Hartree
230	O11 Ryd(4d)	0.000034112	7.485142623 Hartree
231	O11 Ryd(3d)	0.008418901	2.267540924 Hartree
232	O11 Ryd(4d)	0.000027733	7.551072143 Hartree
233	O11 Ryd(3d)	0.003486881	1.965730008 Hartree
234	O11 Ryd(4d)	0.000018155	7.426008598 Hartree
235	H12 Val(1S)	0.836093752	0.079335933 Hartree
236	H12 Ryd(2S)	0.000779950	1.052444493 Hartree
237	H12 Ryd(3S)	0.000167761	2.338630111 Hartree
238	H12 Ryd(2p)	0.000110582	2.576179814 Hartree
239	H12 Ryd(2p)	0.000354850	3.028237004 Hartree
240	H12 Ryd(2p)	0.000189061	2.648969131 Hartree
241	H13 Val(1S)	0.840130464	0.072805401 Hartree
242	H13 Ryd(2S)	0.001172334	1.041850910 Hartree
243	H13 Ryd(3S)	0.000152001	2.334395513 Hartree
244	H13 Ryd(2p)	0.000111109	2.571714413 Hartree
245	H13 Ryd(2p)	0.000152727	2.545857827 Hartree
246	H13 Ryd(2p)	0.000410235	3.120138686 Hartree
247	H14 Val(1S)	0.820276251	0.095580801 Hartree
248	H14 Ryd(2S)	0.001173821	1.109558597 Hartree
249	H14 Ryd(3S)	0.000138752	2.307394169 Hartree
250	H14 Ryd(2p)	0.000125651	2.584404279 Hartree
251	H14 Ryd(2p)	0.000340075	3.026942087 Hartree
252	H14 Ryd(2p)	0.000147311	2.613359658 Hartree
253	H15 Val(1S)	0.827268076	0.089318685 Hartree
254	H15 Ryd(2S)	0.001366423	1.113889600 Hartree
255	H15 Ryd(3S)	0.000120962	2.296975585 Hartree
256	H15 Ryd(2p)	0.000115420	2.544359155 Hartree
257	H15 Ryd(2p)	0.000115148	2.523072009 Hartree
258	H15 Ryd(2p)	0.000414260	3.117433573 Hartree
259	C16 Cor(1S)	1.999451418	-11.060306438 Hartree
260	C16 Val(2S)	1.071311966	-0.254129286 Hartree
261	C16 Ryd(4S)	0.000815875	1.098556211 Hartree
262	C16 Ryd(3S)	0.000336090	0.664537527 Hartree
263	C16 Ryd(5S)	0.000001001	24.431028319 Hartree
264	C16 Val(2p)	1.174451023	-0.072183632 Hartree
265	C16 Ryd(4p)	0.002737445	0.832074420 Hartree
266	C16 Ryd(3p)	0.000233903	0.331252066 Hartree
267	C16 Ryd(5p)	0.000015958	3.704761115 Hartree
268	C16 Val(2p)	1.100552795	-0.061867343 Hartree
269	C16 Ryd(4p)	0.002297078	0.755515213 Hartree
270	C16 Ryd(3p)	0.000515048	0.285980708 Hartree
271	C16 Ryd(5p)	0.000066687	3.662085007 Hartree
272	C16 Val(2p)	1.136056839	-0.065625790 Hartree
273	C16 Ryd(4p)	0.001046376	0.720386084 Hartree
274	C16 Ryd(3p)	0.000353462	0.266991776 Hartree
275	C16 Ryd(5p)	0.000062650	3.617712386 Hartree
276	C16 Ryd(3d)	0.002439332	1.965126069 Hartree
277	C16 Ryd(4d)	0.000073880	3.551788923 Hartree
278	C16 Ryd(3d)	0.000767699	1.706275600 Hartree
279	C16 Ryd(4d)	0.000034407	3.300071562 Hartree
280	C16 Ryd(3d)	0.002078226	1.927960554 Hartree
281	C16 Ryd(4d)	0.000078578	3.449555058 Hartree
282	C16 Ryd(3d)	0.001655049	1.865104864 Hartree
283	C16 Ryd(4d)	0.000109392	3.448916533 Hartree
284	C16 Ryd(3d)	0.002787912	1.984370542 Hartree
285	C16 Ryd(4d)	0.000084113	3.531675626 Hartree
286	H17 Val(1S)	0.823139133	0.095500635 Hartree
287	H17 Ryd(2S)	0.000536614	1.020252842 Hartree
288	H17 Ryd(3S)	0.000074398	2.240906278 Hartree
289	H17 Ryd(2p)	0.000296206	2.997563330 Hartree
290	H17 Ryd(2p)	0.000146466	2.494360419 Hartree
291	H17 Ryd(2p)	0.000076812	2.329645118 Hartree
292	H18 Val(1S)	0.824466251	0.096053980 Hartree
293	H18 Ryd(2S)	0.000460789	0.877004845 Hartree
294	H18 Ryd(3S)	0.000090683	2.407907155 Hartree
295	H18 Ryd(2p)	0.000188325	2.683276951 Hartree
296	H18 Ryd(2p)	0.000257345	2.810631411 Hartree
297	H18 Ryd(2p)	0.000083045	2.315616548 Hartree
298	H19 Val(1S)	0.830395296	0.087077179 Hartree
299	H19 Ryd(2S)	0.000848987	1.114667750 Hartree
300	H19 Ryd(3S)	0.000070409	2.179049377 Hartree
301	H19 Ryd(2p)	0.000083834	2.255757083 Hartree
302	H19 Ryd(2p)	0.000090986	2.372697078 Hartree
303	H19 Ryd(2p)	0.000393593	3.136119464 Hartree
304	H20 Val(1S)	0.836450353	0.087213076 Hartree
305	H20 Ryd(2S)	0.001467482	1.062919658 Hartree
306	H20 Ryd(3S)	0.000063141	2.406592873 Hartree
307	H20 Ryd(2p)	0.000104023	2.533914726 Hartree
308	H20 Ryd(2p)	0.000113356	2.594233260 Hartree
309	H20 Ryd(2p)	0.000469597	3.222129188 Hartree
310	H21 Val(1S)	0.824962128	0.094463415 Hartree
311	H21 Ryd(2S)	0.000523708	0.917185750 Hartree
312	H21 Ryd(3S)	0.000083164	2.334090048 Hartree
313	H21 Ryd(2p)	0.000318432	3.006678247 Hartree
314	H21 Ryd(2p)	0.000104810	2.464895222 Hartree
315	H21 Ryd(2p)	0.000100686	2.321911702 Hartree
316	H22 Val(1S)	0.830609337	0.088283264 Hartree
317	H22 Ryd(2S)	0.000877789	1.008399476 Hartree
318	H22 Ryd(3S)	0.000074533	2.286950408 Hartree
319	H22 Ryd(2p)	0.000094523	2.341756365 Hartree
320	H22 Ryd(2p)	0.000110473	2.367006601 Hartree
321	H22 Ryd(2p)	0.000349976	3.057898194 Hartree
322	H23 Val(1S)	0.825487621	0.094427882 Hartree
323	H23 Ryd(2S)	0.000520563	0.894362113 Hartree
324	H23 Ryd(3S)	0.000088946	2.366017960 Hartree
325	H23 Ryd(2p)	0.000087832	2.378279121 Hartree
326	H23 Ryd(2p)	0.000291366	2.908401859 Hartree
327	H23 Ryd(2p)	0.000151278	2.504816516 Hartree

Natural Hybrid Orbitals

Display Range		- / 327
Orbital	Description	Occupancy	Energy	Actions
1	BD(1)C1(C2) 1s(30.27%)p2.30(69.51%)d0.01(0.22%)	0.976344891	-0.060541352 Hartree
2	BD(1)C2(C1) 2s(26.70%)p2.74(73.15%)d0.01(0.15%)	1.018644147	-0.086165011 Hartree
3	BD(1)C1(H21) 1s(23.30%)p3.28(76.50%)d0.01(0.20%)	1.170567200	-0.122284428 Hartree
4	BD(1)H21(C1) 21s(99.96%)p0.00(0.04%)	0.825273776	0.096030462 Hartree
5	BD(1)C1(H22) 1s(23.05%)p3.33(76.74%)d0.01(0.21%)	1.167025665	-0.124638477 Hartree
6	BD(1)H22(C1) 22s(99.96%)p0.00(0.04%)	0.830938012	0.090451886 Hartree
7	BD(1)C1(H23) 1s(23.33%)p3.28(76.46%)d0.01(0.20%)	1.170019553	-0.121811992 Hartree
8	BD(1)H23(C1) 23s(99.96%)p0.00(0.04%)	0.825797659	0.095929729 Hartree
9	BD(1)C2(C3) 2s(26.67%)p2.74(73.14%)d0.01(0.19%)	0.995543967	-0.071162657 Hartree
10	BD(1)C3(C2) 3s(29.02%)p2.44(70.79%)d0.01(0.19%)	0.998750168	-0.068271140 Hartree
11	BD(1)C2(C16) 2s(26.59%)p2.76(73.25%)d0.01(0.17%)	1.015046762	-0.086337082 Hartree
12	BD(1)C16(C2) 16s(30.21%)p2.30(69.57%)d0.01(0.21%)	0.983331708	-0.064286169 Hartree
13	BD(1)C2(H20) 2s(20.13%)p3.96(79.64%)d0.01(0.22%)	1.156951396	-0.110481595 Hartree
14	BD(1)H20(C2) 20s(99.95%)p0.00(0.05%)	0.836876714	0.090048140 Hartree
15	BD(1)C3(C4) 3s(27.38%)p2.64(72.39%)d0.01(0.23%)	0.995204130	-0.080689353 Hartree
16	BD(1)C4(C3) 4s(31.29%)p2.19(68.50%)d0.01(0.21%)	1.001000096	-0.083407163 Hartree
17	BD(1)C3(H14) 3s(21.86%)p3.57(77.96%)d0.01(0.18%)	1.171747350	-0.120373336 Hartree
18	BD(1)H14(C3) 14s(99.96%)p0.00(0.04%)	0.820647605	0.097723537 Hartree
19	BD(1)C3(H15) 3s(21.80%)p3.58(78.01%)d0.01(0.19%)	1.167884492	-0.123215157 Hartree
20	BD(1)H15(C3) 15s(99.95%)p0.00(0.05%)	0.827655789	0.091929944 Hartree
21	BD(1)C4(O5) 4s(19.51%)p4.11(80.19%)d0.02(0.30%)	0.594925217	0.051697278 Hartree
22	BD(1)O5(C4) 5s(30.00%)p2.33(69.76%)d0.01(0.24%)	1.414954328	-0.581915842 Hartree
23	BD(1)C4(H12) 4s(24.81%)p3.02(74.96%)d0.01(0.23%)	1.167659099	-0.144078034 Hartree
24	BD(1)H12(C4) 12s(99.95%)p0.00(0.05%)	0.836488598	0.081456356 Hartree
25	BD(1)C4(H13) 4s(24.55%)p3.06(75.21%)d0.01(0.24%)	1.164540673	-0.143977021 Hartree
26	BD(1)H13(C4) 13s(99.95%)p0.00(0.05%)	0.840537766	0.075247392 Hartree
27	BD(1)O5(C6) 5s(31.74%)p2.14(67.86%)d0.01(0.40%)	1.414926700	-0.608508147 Hartree
28	BD(1)C6(O5) 6s(27.51%)p2.63(72.28%)d0.01(0.21%)	0.656387124	0.070282313 Hartree
29	BD(1)C6(C7) 6s(38.02%)p1.63(61.91%)d0.00(0.07%)	1.001893344	-0.118653613 Hartree
30	BD(1)C7(C6) 7s(27.24%)p2.66(72.38%)d0.01(0.38%)	1.024608262	-0.116314986 Hartree
31	BD(1)C6(O11) 6s(34.50%)p1.89(65.34%)d0.00(0.16%)	0.694733265	0.126227802 Hartree
32	BD(1)O11(C6) 11s(41.84%)p1.37(57.48%)d0.02(0.69%)	1.320179927	-0.597790577 Hartree
33	BD(2)C6(O11) 6s(0.00%)p1.00(99.67%)d0.00(0.33%)	0.631893751	-0.002509595 Hartree
34	BD(2)O11(C6) 11s(0.00%)p1.00(99.43%)d0.01(0.57%)	1.514593323	-0.325750266 Hartree
35	BD(1)C7(H8) 7s(24.03%)p3.15(75.76%)d0.01(0.21%)	1.189219369	-0.160375009 Hartree
36	BD(1)H8(C7) 8s(99.97%)p0.00(0.03%)	0.794619011	0.079938815 Hartree
37	BD(1)C7(H9) 7s(24.70%)p3.04(75.12%)d0.01(0.19%)	1.194478751	-0.157612550 Hartree
38	BD(1)H9(C7) 9s(99.96%)p0.00(0.04%)	0.798003231	0.092436400 Hartree
39	BD(1)C7(H10) 7s(24.03%)p3.15(75.76%)d0.01(0.21%)	1.189164376	-0.160375096 Hartree
40	BD(1)H10(C7) 10s(99.97%)p0.00(0.03%)	0.794612038	0.079858165 Hartree
41	BD(1)C16(H17) 16s(23.26%)p3.29(76.54%)d0.01(0.20%)	1.172948468	-0.122729148 Hartree
42	BD(1)H17(C16) 17s(99.96%)p0.00(0.04%)	0.823456009	0.097254221 Hartree
43	BD(1)C16(H18) 16s(23.48%)p3.25(76.32%)d0.01(0.20%)	1.170528255	-0.122665615 Hartree
44	BD(1)H18(C16) 18s(99.96%)p0.00(0.04%)	0.824778942	0.097531196 Hartree
45	BD(1)C16(H19) 16s(23.01%)p3.34(76.78%)d0.01(0.21%)	1.167086231	-0.125787558 Hartree
46	BD(1)H19(C16) 19s(99.96%)p0.00(0.04%)	0.830726540	0.089306872 Hartree
47	CR(1)C1 s(100.00%)p0.00(0.00%)	1.999447480	-11.059718520 Hartree
48	CR(1)C2 s(100.00%)p0.00(0.00%)	1.999357704	-11.080851928 Hartree
49	CR(1)C3 s(100.00%)p0.00(0.00%)	1.999337979	-11.068018967 Hartree
50	CR(1)C4 s(100.00%)	1.999224029	-11.147085108 Hartree
51	CR(1)O5 s(100.00%)	1.999730825	-20.382702947 Hartree
52	CR(1)C6 s(100.00%)p0.00(0.00%)	1.999505506	-11.257786796 Hartree
53	CR(1)C7 s(100.00%)p0.00(0.00%)	1.999369337	-11.088783978 Hartree
54	CR(1)O11 s(100.00%)p0.00(0.00%)	1.999740167	-20.265115728 Hartree
55	CR(1)C16 s(100.00%)p0.00(0.00%)	1.999449909	-11.060132364 Hartree
56	LP(1)O5 s(38.24%)p1.61(61.63%)d0.00(0.13%)	1.972409750	-0.806613235 Hartree
57	LP(2)O5 s(0.00%)p1.00(99.82%)d0.00(0.18%)	1.854651881	-0.491350222 Hartree
58	LP(1)O11 s(58.10%)p0.72(41.76%)d0.00(0.14%)	1.979497650	-0.950133924 Hartree
59	LP(2)O11 s(0.00%)p1.00(99.64%)d0.00(0.36%)	1.890612015	-0.438568276 Hartree
60	RY*(1)C1 s(1.21%)p78.06(94.79%)d3.29(4.00%)	0.003041830	0.938985611 Hartree
61	RY*(2)C1 s(11.66%)p6.59(76.86%)d0.99(11.49%)	0.002359524	1.055443950 Hartree
62	RY*(3)C1 s(62.38%)p0.36(22.54%)d0.24(15.08%)	0.000584059	1.049940056 Hartree
63	RY*(4)C1 s(0.15%)p99.99(62.34%)d99.99(37.51%)	0.000258626	0.971973688 Hartree
64	RY*(5)C1 s(2.41%)p29.75(71.74%)d10.72(25.85%)	0.000211101	1.575389583 Hartree
65	RY*(6)C1 s(3.02%)p18.73(56.61%)d13.35(40.37%)	0.000183681	1.129003546 Hartree
66	RY*(7)C1 s(10.74%)p3.35(36.02%)d4.95(53.23%)	0.000074868	1.668093154 Hartree
67	RY*(8)C1 s(2.42%)p14.16(34.26%)d26.18(63.33%)	0.000048619	1.722347032 Hartree
68	RY*(9)C1 s(1.98%)p24.04(47.52%)d25.55(50.51%)	0.000030822	0.881558495 Hartree
69	RY*(10)C1 s(21.00%)p3.21(67.49%)d0.55(11.51%)	0.000005702	0.611244203 Hartree
70	RY*(11)C1 s(1.22%)p63.49(77.43%)d17.51(21.36%)	0.000003394	2.086384514 Hartree
71	RY*(12)C1 s(0.11%)p99.99(90.58%)d87.03(9.31%)	0.000000434	3.301939119 Hartree
72	RY*(13)C1 s(97.53%)p0.02(1.49%)d0.01(0.98%)	0.000000044	23.922985648 Hartree
73	RY*(14)C1 s(0.23%)p14.78(3.38%)d99.99(96.39%)	0.000000892	3.686526898 Hartree
74	RY*(15)C1 s(3.35%)p6.96(23.35%)d21.85(73.30%)	0.000008276	2.103196516 Hartree
75	RY*(16)C1 s(1.36%)p3.61(4.92%)d68.75(93.72%)	0.000001822	3.307772122 Hartree
76	RY*(17)C1 s(77.48%)p0.24(18.82%)d0.05(3.70%)	0.000005694	0.902372881 Hartree
77	RY*(18)C1 s(0.39%)p14.77(5.75%)d99.99(93.86%)	0.000000707	3.772234627 Hartree
78	RY*(19)C1 s(0.06%)p99.99(94.70%)d81.21(5.23%)	0.000003728	3.073889502 Hartree
79	RY*(20)C1 s(0.09%)p38.05(3.47%)d99.99(96.43%)	0.000002743	3.721159776 Hartree
80	RY*(21)C1 s(0.65%)p7.60(4.98%)d99.99(94.37%)	0.000007721	2.009527093 Hartree
81	RY*(22)C1 s(0.59%)p2.98(1.76%)d99.99(97.64%)	0.000003794	3.534438829 Hartree
82	RY*(1)C2 s(10.45%)p7.89(82.51%)d0.67(7.04%)	0.004667375	1.060501241 Hartree
83	RY*(2)C2 s(3.67%)p23.97(88.08%)d2.25(8.25%)	0.002266277	1.233442558 Hartree
84	RY*(3)C2 s(1.41%)p63.06(88.81%)d6.95(9.78%)	0.001378898	1.313810525 Hartree
85	RY*(4)C2 s(0.80%)p55.38(44.50%)d68.08(54.70%)	0.000967949	1.800802026 Hartree
86	RY*(5)C2 s(35.05%)p0.66(22.96%)d1.20(42.00%)	0.000773911	1.961518024 Hartree
87	RY*(6)C2 s(49.42%)p0.63(31.20%)d0.39(19.39%)	0.000604974	1.568806777 Hartree
88	RY*(7)C2 s(8.70%)p2.42(21.04%)d8.08(70.27%)	0.000382765	2.381825366 Hartree
89	RY*(8)C2 s(8.40%)p5.23(43.93%)d5.68(47.67%)	0.000354408	2.391878651 Hartree
90	RY*(9)C2 s(61.99%)p0.35(21.88%)d0.26(16.13%)	0.000158049	1.593209172 Hartree
91	RY*(10)C2 s(0.32%)p99.99(82.07%)d54.71(17.60%)	0.000162041	1.768381798 Hartree
92	RY*(11)C2 s(2.51%)p8.71(21.84%)d30.16(75.65%)	0.000057157	2.981796193 Hartree
93	RY*(12)C2 s(0.33%)p74.44(24.27%)d99.99(75.41%)	0.000039766	3.185342274 Hartree
94	RY*(13)C2 s(2.45%)p8.52(20.85%)d31.34(76.70%)	0.000014573	2.810611227 Hartree
95	RY*(14)C2 s(0.78%)p30.02(23.37%)d97.46(75.85%)	0.000011248	2.087654565 Hartree
96	RY*(15)C2 s(3.69%)p3.75(13.84%)d22.38(82.48%)	0.000011128	3.295405902 Hartree
97	RY*(16)C2 s(1.33%)p57.05(75.98%)d17.04(22.69%)	0.000000657	3.011065895 Hartree
98	RY*(17)C2 s(94.06%)p0.02(1.91%)d0.04(4.02%)	0.000000031	22.898040160 Hartree
99	RY*(18)C2 s(0.44%)p99.99(91.54%)d18.18(8.02%)	0.000007182	1.820866643 Hartree
100	RY*(19)C2 s(0.13%)p37.97(5.07%)d99.99(94.79%)	0.000000548	2.221315534 Hartree
101	RY*(20)C2 s(9.07%)p8.96(81.34%)d1.06(9.59%)	0.000006626	2.966505108 Hartree
102	RY*(21)C2 s(4.82%)p1.61(7.78%)d18.12(87.40%)	0.000009533	1.909673311 Hartree
103	RY*(22)C2 s(0.10%)p59.22(6.07%)d99.99(93.83%)	0.000008464	3.485472305 Hartree
104	RY*(1)C3 s(5.25%)p16.88(88.62%)d1.17(6.13%)	0.004479160	1.024777613 Hartree
105	RY*(2)C3 s(14.45%)p5.44(78.53%)d0.49(7.02%)	0.003250708	1.071287282 Hartree
106	RY*(3)C3 s(9.49%)p8.13(77.19%)d1.40(13.32%)	0.002970240	1.188226038 Hartree
107	RY*(4)C3 s(6.06%)p10.18(61.70%)d5.32(32.24%)	0.000831086	1.185204040 Hartree
108	RY*(5)C3 s(73.19%)p0.18(13.45%)d0.18(13.36%)	0.000686594	1.543062280 Hartree
109	RY*(6)C3 s(28.19%)p1.86(52.30%)d0.69(19.51%)	0.000532010	1.272542968 Hartree
110	RY*(7)C3 s(3.54%)p23.92(84.65%)d3.34(11.81%)	0.000354706	0.627701675 Hartree
111	RY*(8)C3 s(6.72%)p7.20(48.39%)d6.68(44.90%)	0.000292856	2.071976810 Hartree
112	RY*(9)C3 s(11.25%)p3.76(42.33%)d4.13(46.42%)	0.000205371	1.208469117 Hartree
113	RY*(10)C3 s(5.10%)p10.64(54.29%)d7.96(40.60%)	0.000093408	3.176995259 Hartree
114	RY*(11)C3 s(19.05%)p1.97(37.48%)d2.28(43.47%)	0.000068847	1.509090455 Hartree
115	RY*(12)C3 s(3.87%)p2.57(9.96%)d22.28(86.17%)	0.000044213	2.269181020 Hartree
116	RY*(13)C3 s(0.62%)p22.43(13.94%)d99.99(85.44%)	0.000027759	3.856190024 Hartree
117	RY*(14)C3 s(1.67%)p20.75(34.62%)d38.18(63.71%)	0.000010255	1.862797422 Hartree
118	RY*(15)C3 s(0.84%)p17.08(14.41%)d99.99(84.75%)	0.000010377	2.592648098 Hartree
119	RY*(16)C3 s(1.20%)p67.44(81.02%)d14.80(17.78%)	0.000002851	3.235504788 Hartree
120	RY*(17)C3 s(7.84%)p10.60(83.14%)d1.15(9.02%)	0.000012810	2.903245986 Hartree
121	RY*(18)C3 s(0.49%)p14.91(7.33%)d99.99(92.18%)	0.000007307	3.651877120 Hartree
122	RY*(19)C3 s(96.30%)p0.03(2.97%)d0.01(0.73%)	0.000000077	23.569768085 Hartree
123	RY*(20)C3 s(1.77%)p1.88(3.33%)d53.60(94.90%)	0.000007518	3.502976183 Hartree
124	RY*(21)C3 s(2.78%)p3.03(8.44%)d31.88(88.77%)	0.000005581	2.178966680 Hartree
125	RY*(22)C3 s(0.25%)p11.09(2.78%)d99.99(96.97%)	0.000003052	3.765756384 Hartree
126	RY*(1)C4 s(13.02%)p6.49(84.48%)d0.19(2.50%)	0.004440314	1.300568292 Hartree
127	RY*(2)C4 s(12.75%)p5.07(64.58%)d1.78(22.68%)	0.002551217	1.352209088 Hartree
128	RY*(3)C4 s(6.27%)p9.12(57.17%)d5.83(36.56%)	0.001988114	1.246117356 Hartree
129	RY*(4)C4 s(1.03%)p75.11(77.10%)d21.31(21.87%)	0.001730816	1.252322095 Hartree
130	RY*(5)C4 s(38.58%)p0.99(38.07%)d0.61(23.35%)	0.000977315	1.183289655 Hartree
131	RY*(6)C4 s(20.05%)p1.64(32.83%)d2.35(47.12%)	0.000547805	1.987382100 Hartree
132	RY*(7)C4 s(11.52%)p1.95(22.46%)d5.73(66.02%)	0.000468241	2.094862401 Hartree
133	RY*(8)C4 s(35.81%)p0.96(34.55%)d0.83(29.64%)	0.000315857	1.699049747 Hartree
134	RY*(9)C4 s(0.31%)p99.99(77.98%)d70.67(21.71%)	0.000162213	2.354174491 Hartree
135	RY*(10)C4 s(2.07%)p20.37(42.11%)d27.00(55.83%)	0.000127876	1.634510777 Hartree
136	RY*(11)C4 s(0.05%)p99.99(46.44%)d99.99(53.51%)	0.000090536	1.872454771 Hartree
137	RY*(12)C4 s(2.84%)p8.75(24.83%)d25.49(72.34%)	0.000068704	1.662806773 Hartree
138	RY*(13)C4 s(35.29%)p1.08(38.07%)d0.75(26.64%)	0.000042545	1.537267904 Hartree
139	RY*(14)C4 s(1.82%)p28.99(52.85%)d24.85(45.32%)	0.000017472	1.921464759 Hartree
140	RY*(15)C4 s(6.20%)p9.44(58.52%)d5.69(35.28%)	0.000022112	3.603074291 Hartree
141	RY*(16)C4 s(0.63%)p99.99(88.85%)d16.75(10.53%)	0.000002442	3.456975913 Hartree
142	RY*(17)C4 s(6.53%)p1.29(8.45%)d13.01(85.02%)	0.000003835	2.984465227 Hartree
143	RY*(18)C4 s(0.26%)p87.59(23.03%)d99.99(76.70%)	0.000011659	3.390404099 Hartree
144	RY*(19)C4 s(0.08%)p23.66(1.88%)d99.99(98.04%)	0.000006086	3.656777901 Hartree
145	RY*(20)C4 s(96.35%)p0.03(2.95%)d0.01(0.69%)	0.000000477	23.522802019 Hartree
146	RY*(21)C4 s(7.82%)p1.97(15.41%)d9.81(76.77%)	0.000006975	1.807605818 Hartree
147	RY*(22)C4 s(0.57%)p15.02(8.52%)d99.99(90.91%)	0.000000917	3.666260041 Hartree
148	RY*(1)O5 s(36.70%)p1.65(60.40%)d0.08(2.90%)	0.004545938	0.970931115 Hartree
149	RY*(2)O5 s(0.20%)p99.99(97.95%)d9.15(1.85%)	0.003224805	0.892224474 Hartree
150	RY*(3)O5 s(3.42%)p26.81(91.58%)d1.46(5.00%)	0.002269275	1.646609300 Hartree
151	RY*(4)O5 s(50.67%)p0.72(36.55%)d0.25(12.78%)	0.000982988	1.864545960 Hartree
152	RY*(5)O5 s(4.42%)p2.36(10.43%)d19.25(85.15%)	0.000248852	2.766091673 Hartree
153	RY*(6)O5 s(38.19%)p0.98(37.48%)d0.64(24.33%)	0.000218843	2.844321587 Hartree
154	RY*(7)O5 s(0.59%)p10.51(6.22%)d99.99(93.18%)	0.000143404	4.104483065 Hartree
155	RY*(8)O5 s(0.09%)p99.99(72.44%)d99.99(27.47%)	0.000124133	2.007491850 Hartree
156	RY*(9)O5 s(6.34%)p6.64(42.10%)d8.13(51.56%)	0.000083654	2.161324426 Hartree
157	RY*(10)O5 s(2.14%)p21.86(46.86%)d23.79(51.00%)	0.000054088	3.490355617 Hartree
158	RY*(11)O5 s(1.45%)p55.07(80.09%)d12.69(18.45%)	0.000036513	1.605014538 Hartree
159	RY*(12)O5 s(0.35%)p8.71(3.06%)d99.99(96.58%)	0.000026258	4.587591077 Hartree
160	RY*(13)O5 s(21.13%)p2.44(51.53%)d1.29(27.35%)	0.000012168	2.097271353 Hartree
161	RY*(14)O5 s(1.52%)p5.34(8.14%)d59.27(90.34%)	0.000004986	6.594805216 Hartree
162	RY*(15)O5 s(2.39%)p29.02(69.31%)d11.85(28.31%)	0.000007191	4.429742506 Hartree
163	RY*(16)O5 s(28.99%)p2.30(66.79%)d0.15(4.22%)	0.000004233	4.192374036 Hartree
164	RY*(17)O5 s(0.08%)p99.99(19.36%)d99.99(80.56%)	0.000001185	1.924660002 Hartree
165	RY*(18)O5 s(0.07%)p25.45(1.68%)d99.99(98.26%)	0.000000138	7.267015784 Hartree
166	RY*(19)O5 s(0.45%)p99.99(95.94%)d8.08(3.61%)	0.000000391	5.442982428 Hartree
167	RY*(20)O5 s(0.95%)p2.57(2.44%)d99.99(96.61%)	0.000000969	6.739291059 Hartree
168	RY*(21)O5 s(99.64%)p0.00(0.10%)d0.00(0.27%)	0.000000123	51.080282582 Hartree
169	RY*(22)O5 s(0.24%)p2.08(0.49%)d99.99(99.27%)	0.000000177	7.410029856 Hartree
170	RY*(1)C6 s(8.56%)p10.61(90.87%)d0.07(0.56%)	0.018891771	1.321526732 Hartree
171	RY*(2)C6 s(9.22%)p7.14(65.78%)d2.71(25.00%)	0.005328815	2.047708696 Hartree
172	RY*(3)C6 s(0.00%)p1.00(4.23%)d22.65(95.77%)	0.002524307	2.811671992 Hartree
173	RY*(4)C6 s(3.28%)p8.12(26.68%)d21.33(70.04%)	0.002289735	3.093522951 Hartree
174	RY*(5)C6 s(5.27%)p7.95(41.90%)d10.03(52.83%)	0.001199255	2.125786651 Hartree
175	RY*(6)C6 s(0.00%)p1.00(57.92%)d0.73(42.08%)	0.001011934	1.485565100 Hartree
176	RY*(7)C6 s(4.50%)p18.08(81.34%)d3.15(14.16%)	0.000390592	1.416486280 Hartree
177	RY*(8)C6 s(69.48%)p0.41(28.72%)d0.03(1.81%)	0.000367906	1.784766005 Hartree
178	RY*(9)C6 s(0.08%)p99.99(77.24%)d99.99(22.68%)	0.000224703	0.819878263 Hartree
179	RY*(10)C6 s(62.96%)p0.28(17.55%)d0.31(19.49%)	0.000103681	10.765819319 Hartree
180	RY*(11)C6 s(0.21%)p99.99(59.31%)d99.99(40.48%)	0.000030343	2.148346842 Hartree
181	RY*(12)C6 s(0.11%)p99.99(95.06%)d44.78(4.83%)	0.000003007	2.978710754 Hartree
182	RY*(13)C6 s(14.52%)p5.68(82.51%)d0.20(2.97%)	0.000009935	3.842106999 Hartree
183	RY*(14)C6 s(0.05%)p81.92(4.31%)d99.99(95.64%)	0.000011296	3.159137026 Hartree
184	RY*(15)C6 s(1.11%)p87.37(96.65%)d2.03(2.24%)	0.000005674	2.899914672 Hartree
185	RY*(16)C6 s(0.06%)p60.90(3.93%)d99.99(96.01%)	0.000004276	2.917560874 Hartree
186	RY*(17)C6 s(0.12%)p99.99(61.17%)d99.99(38.71%)	0.000000416	1.649232197 Hartree
187	RY*(18)C6 s(2.61%)p0.39(1.03%)d36.93(96.37%)	0.000002231	3.540817918 Hartree
188	RY*(19)C6 s(95.18%)p0.01(0.62%)d0.04(4.20%)	0.000003665	9.029942459 Hartree
189	RY*(20)C6 s(0.81%)p0.63(0.51%)d99.99(98.67%)	0.000002534	3.422834824 Hartree
190	RY*(21)C6 s(3.48%)p0.36(1.23%)d27.40(95.29%)	0.000000797	3.829672196 Hartree
191	RY*(22)C6 s(18.35%)p0.12(2.25%)d4.33(79.40%)	0.000006377	3.908599164 Hartree
192	RY*(1)C7 s(0.75%)p99.99(91.65%)d10.09(7.59%)	0.002569862	1.073331741 Hartree
193	RY*(2)C7 s(25.34%)p2.26(57.21%)d0.69(17.45%)	0.000856206	1.271648864 Hartree
194	RY*(3)C7 s(0.00%)p1.00(4.63%)d20.58(95.37%)	0.000406070	1.233692617 Hartree
195	RY*(4)C7 s(0.54%)p47.24(25.41%)d99.99(74.05%)	0.000322269	1.232200751 Hartree
196	RY*(5)C7 s(0.34%)p99.99(80.69%)d55.92(18.97%)	0.000303072	1.089619702 Hartree
197	RY*(6)C7 s(19.63%)p3.49(68.42%)d0.61(11.94%)	0.000276529	0.711123617 Hartree
198	RY*(7)C7 s(19.35%)p2.70(52.23%)d1.47(28.42%)	0.000138791	2.015345164 Hartree
199	RY*(8)C7 s(86.52%)p0.05(4.74%)d0.10(8.73%)	0.000001922	0.934906334 Hartree
200	RY*(9)C7 s(4.38%)p21.08(92.28%)d0.76(3.35%)	0.000001919	3.183259496 Hartree
201	RY*(10)C7 s(1.36%)p71.62(97.57%)d0.78(1.07%)	0.000011087	0.443108023 Hartree
202	RY*(11)C7 s(0.19%)p99.99(92.84%)d37.27(6.98%)	0.000004534	0.359684842 Hartree
203	RY*(12)C7 s(0.25%)p99.99(98.65%)d4.33(1.10%)	0.000003211	3.431224214 Hartree
204	RY*(13)C7 s(2.04%)p8.07(16.49%)d39.90(81.47%)	0.000009993	1.801882053 Hartree
205	RY*(14)C7 s(0.53%)p1.98(1.05%)d99.99(98.43%)	0.000002093	3.564331375 Hartree
206	RY*(15)C7 s(9.41%)p8.14(76.58%)d1.49(14.01%)	0.000009864	2.475504839 Hartree
207	RY*(16)C7 s(0.08%)p63.38(4.92%)d99.99(95.00%)	0.000000062	3.537537156 Hartree
208	RY*(17)C7 s(1.76%)p7.20(12.66%)d48.65(85.58%)	0.000007418	1.597195420 Hartree
209	RY*(18)C7 s(0.52%)p6.42(3.33%)d99.99(96.15%)	0.000002178	3.347137062 Hartree
210	RY*(19)C7 s(99.37%)p0.01(0.51%)d0.00(0.13%)	0.000000150	24.172855033 Hartree
211	RY*(20)C7 s(1.00%)p1.14(1.14%)d98.00(97.86%)	0.000002592	3.703048527 Hartree
212	RY*(21)C7 s(20.20%)p0.73(14.73%)d3.22(65.07%)	0.000005251	1.524593237 Hartree
213	RY*(22)C7 s(6.44%)p0.50(3.24%)d14.02(90.31%)	0.000003335	3.445580820 Hartree
214	RY*(1)H8 s(96.37%)p0.04(3.63%)	0.000879897	0.941641566 Hartree
215	RY*(2)H8 s(54.59%)p0.83(45.41%)	0.000096042	2.438850189 Hartree
216	RY*(3)H8 s(2.52%)p38.72(97.48%)	0.000095173	2.227681349 Hartree
217	RY*(4)H8 s(33.02%)p2.03(66.98%)	0.000068969	2.463259869 Hartree
218	RY*(5)H8 s(13.54%)p6.38(86.46%)	0.000021216	2.733253271 Hartree
219	RY*(1)H9 s(92.82%)p0.08(7.18%)	0.000697483	1.075251422 Hartree
220	RY*(2)H9 s(48.51%)p1.06(51.49%)	0.000107742	2.547506557 Hartree
221	RY*(3)H9 s(0.00%)p1.00(100.00%)	0.000092727	2.166579627 Hartree
222	RY*(4)H9 s(34.58%)p1.89(65.42%)	0.000059394	2.480324195 Hartree
223	RY*(5)H9 s(24.12%)p3.15(75.88%)	0.000022147	2.546908477 Hartree
224	RY*(1)H10 s(96.36%)p0.04(3.64%)	0.000876738	0.940113983 Hartree
225	RY*(2)H10 s(54.66%)p0.83(45.34%)	0.000096389	2.430568941 Hartree
226	RY*(3)H10 s(1.85%)p53.00(98.15%)	0.000095725	2.227894324 Hartree
227	RY*(4)H10 s(33.78%)p1.96(66.22%)	0.000068844	2.469940905 Hartree
228	RY*(5)H10 s(13.38%)p6.47(86.62%)	0.000021323	2.734915088 Hartree
229	RY*(1)O11 s(0.36%)p99.99(89.29%)d29.18(10.36%)	0.002831665	1.345338434 Hartree
230	RY*(2)O11 s(0.32%)p99.99(93.27%)d19.77(6.41%)	0.000869227	0.901603327 Hartree
231	RY*(3)O11 s(40.66%)p1.12(45.44%)d0.34(13.91%)	0.000584216	1.091757066 Hartree
232	RY*(4)O11 s(37.65%)p0.92(34.58%)d0.74(27.77%)	0.000270262	2.456572756 Hartree
233	RY*(5)O11 s(0.08%)p99.99(37.53%)d99.99(62.40%)	0.000173014	1.860370781 Hartree
234	RY*(6)O11 s(10.56%)p2.56(27.09%)d5.90(62.35%)	0.000150056	2.038817166 Hartree
235	RY*(7)O11 s(24.90%)p0.60(14.94%)d2.42(60.15%)	0.000085452	2.457798304 Hartree
236	RY*(8)O11 s(5.94%)p12.08(71.78%)d3.75(22.28%)	0.000062036	3.723618347 Hartree
237	RY*(9)O11 s(13.81%)p5.40(74.61%)d0.84(11.59%)	0.000042133	1.967495969 Hartree
238	RY*(10)O11 s(4.57%)p4.30(19.65%)d16.60(75.78%)	0.000016273	2.813716758 Hartree
239	RY*(11)O11 s(0.17%)p99.99(59.11%)d99.99(40.71%)	0.000003522	1.573111873 Hartree
240	RY*(12)O11 s(0.14%)p99.99(95.72%)d29.06(4.14%)	0.000000245	5.378056736 Hartree
241	RY*(13)O11 s(0.11%)p99.99(98.29%)d15.03(1.60%)	0.000000686	5.686035786 Hartree
242	RY*(14)O11 s(0.27%)p5.76(1.55%)d99.99(98.18%)	0.000000876	6.585847965 Hartree
243	RY*(15)O11 s(4.34%)p21.61(93.79%)d0.43(1.87%)	0.000009414	2.885689949 Hartree
244	RY*(16)O11 s(0.04%)p18.22(0.73%)d99.99(99.23%)	0.000000277	7.204448524 Hartree
245	RY*(17)O11 s(0.02%)p99.99(9.56%)d99.99(90.43%)	0.000000174	1.947714676 Hartree
246	RY*(18)O11 s(0.11%)p31.63(3.39%)d99.99(96.50%)	0.000000377	7.118587813 Hartree
247	RY*(19)O11 s(55.90%)p0.53(29.40%)d0.26(14.70%)	0.000004469	1.688065237 Hartree
248	RY*(20)O11 s(0.23%)p3.93(0.90%)d99.99(98.87%)	0.000000313	7.277091390 Hartree
249	RY*(21)O11 s(99.74%)p0.00(0.18%)d0.00(0.09%)	0.000000021	50.933216037 Hartree
250	RY*(22)O11 s(0.15%)p5.87(0.90%)d99.99(98.94%)	0.000000160	7.113095993 Hartree
251	RY*(1)H12 s(94.45%)p0.06(5.55%)	0.000822893	1.166648038 Hartree
252	RY*(2)H12 s(71.93%)p0.39(28.07%)	0.000213131	2.304567988 Hartree
253	RY*(3)H12 s(7.67%)p12.04(92.33%)	0.000074650	2.630580008 Hartree
254	RY*(4)H12 s(13.37%)p6.48(86.63%)	0.000046315	3.063937212 Hartree
255	RY*(5)H12 s(12.63%)p6.92(87.37%)	0.000050368	2.476606887 Hartree
256	RY*(1)H13 s(97.72%)p0.02(2.28%)	0.001199908	1.090081237 Hartree
257	RY*(2)H13 s(67.43%)p0.48(32.57%)	0.000201789	2.336047310 Hartree
258	RY*(3)H13 s(5.84%)p16.13(94.16%)	0.000086581	2.603453063 Hartree
259	RY*(4)H13 s(2.14%)p45.78(97.86%)	0.000059409	3.124313184 Hartree
260	RY*(5)H13 s(26.93%)p2.71(73.07%)	0.000043417	2.457620565 Hartree
261	RY*(1)H14 s(99.12%)p0.01(0.88%)	0.001185117	1.140320110 Hartree
262	RY*(2)H14 s(73.95%)p0.35(26.05%)	0.000171729	2.352561074 Hartree
263	RY*(3)H14 s(3.32%)p29.14(96.68%)	0.000115774	2.566620002 Hartree
264	RY*(4)H14 s(5.80%)p16.25(94.20%)	0.000043887	3.072881393 Hartree
265	RY*(5)H14 s(17.86%)p4.60(82.14%)	0.000037748	2.507133476 Hartree
266	RY*(1)H15 s(99.09%)p0.01(0.91%)	0.001381974	1.135656076 Hartree
267	RY*(2)H15 s(65.12%)p0.54(34.88%)	0.000161265	2.319817284 Hartree
268	RY*(3)H15 s(4.21%)p22.74(95.79%)	0.000116467	2.582879552 Hartree
269	RY*(4)H15 s(1.31%)p75.17(98.69%)	0.000048612	3.103526987 Hartree
270	RY*(5)H15 s(30.31%)p2.30(69.69%)	0.000036181	2.451238764 Hartree
271	RY*(1)C16 s(14.14%)p5.62(79.43%)d0.45(6.43%)	0.002882259	1.002081781 Hartree
272	RY*(2)C16 s(4.84%)p18.83(91.20%)d0.82(3.96%)	0.002590245	0.963949066 Hartree
273	RY*(3)C16 s(47.37%)p0.62(29.32%)d0.49(23.30%)	0.000621608	1.179715320 Hartree
274	RY*(4)C16 s(10.87%)p5.51(59.88%)d2.69(29.24%)	0.000260456	0.678031882 Hartree
275	RY*(5)C16 s(8.28%)p6.90(57.14%)d4.18(34.59%)	0.000256252	1.814281862 Hartree
276	RY*(6)C16 s(1.78%)p30.74(54.87%)d24.28(43.34%)	0.000164311	1.222445093 Hartree
277	RY*(7)C16 s(17.41%)p3.35(58.35%)d1.39(24.24%)	0.000073631	1.107118214 Hartree
278	RY*(8)C16 s(0.15%)p99.99(39.89%)d99.99(59.96%)	0.000070765	1.315977464 Hartree
279	RY*(9)C16 s(5.84%)p5.97(34.91%)d10.14(59.24%)	0.000059043	1.529591402 Hartree
280	RY*(10)C16 s(3.19%)p10.23(32.69%)d20.07(64.12%)	0.000042377	2.029723160 Hartree
281	RY*(11)C16 s(1.43%)p60.75(86.82%)d8.22(11.75%)	0.000003372	3.473349191 Hartree
282	RY*(12)C16 s(1.03%)p36.54(37.48%)d59.96(61.50%)	0.000011882	2.161597795 Hartree
283	RY*(13)C16 s(67.94%)p0.42(28.22%)d0.06(3.83%)	0.000005459	0.894167595 Hartree
284	RY*(14)C16 s(0.56%)p12.44(7.02%)d99.99(92.42%)	0.000004030	3.536354969 Hartree
285	RY*(15)C16 s(12.24%)p6.99(85.53%)d0.18(2.22%)	0.000007124	1.169035947 Hartree
286	RY*(16)C16 s(0.02%)p57.14(1.05%)d99.99(98.93%)	0.000001308	3.651354120 Hartree
287	RY*(17)C16 s(0.82%)p99.99(88.35%)d13.24(10.83%)	0.000002980	2.895483054 Hartree
288	RY*(18)C16 s(0.10%)p30.36(3.13%)d99.99(96.77%)	0.000000228	3.749578514 Hartree
289	RY*(19)C16 s(98.76%)p0.01(0.94%)d0.00(0.31%)	0.000000095	24.188527917 Hartree
290	RY*(20)C16 s(1.23%)p4.15(5.13%)d75.87(93.64%)	0.000000369	3.497590719 Hartree
291	RY*(21)C16 s(1.79%)p7.51(13.47%)d47.23(84.73%)	0.000002754	1.733251455 Hartree
292	RY*(22)C16 s(0.22%)p27.53(5.98%)d99.99(93.81%)	0.000009087	3.290008007 Hartree
293	RY*(1)H17 s(96.72%)p0.03(3.28%)	0.000553883	1.125982185 Hartree
294	RY*(2)H17 s(54.69%)p0.83(45.31%)	0.000105264	2.310807235 Hartree
295	RY*(3)H17 s(1.51%)p65.30(98.49%)	0.000084155	2.450953084 Hartree
296	RY*(4)H17 s(24.43%)p3.09(75.57%)	0.000048297	2.708865761 Hartree
297	RY*(5)H17 s(22.70%)p3.41(77.30%)	0.000022021	2.484366135 Hartree
298	RY*(1)H18 s(95.22%)p0.05(4.78%)	0.000482330	1.044096060 Hartree
299	RY*(2)H18 s(59.89%)p0.67(40.11%)	0.000116465	2.344273524 Hartree
300	RY*(3)H18 s(0.12%)p99.99(99.88%)	0.000086145	2.311519953 Hartree
301	RY*(4)H18 s(37.12%)p1.69(62.88%)	0.000054573	2.642409161 Hartree
302	RY*(5)H18 s(7.69%)p12.00(92.31%)	0.000027983	2.750660996 Hartree
303	RY*(1)H19 s(98.15%)p0.02(1.85%)	0.000865413	1.162103605 Hartree
304	RY*(2)H19 s(40.47%)p1.47(59.53%)	0.000111293	2.291078902 Hartree
305	RY*(3)H19 s(4.99%)p19.03(95.01%)	0.000084391	2.366058844 Hartree
306	RY*(4)H19 s(17.75%)p4.63(82.25%)	0.000069281	2.849602197 Hartree
307	RY*(5)H19 s(38.68%)p1.59(61.32%)	0.000026186	2.387217511 Hartree
308	RY*(1)H20 s(98.76%)p0.01(1.24%)	0.001491142	1.104579929 Hartree
309	RY*(2)H20 s(1.69%)p58.18(98.31%)	0.000104648	2.529934713 Hartree
310	RY*(3)H20 s(7.98%)p11.54(92.02%)	0.000095731	2.540316351 Hartree
311	RY*(4)H20 s(85.11%)p0.17(14.89%)	0.000061321	2.338648817 Hartree
312	RY*(5)H20 s(6.51%)p14.36(93.49%)	0.000038395	3.303474830 Hartree
313	RY*(1)H21 s(95.09%)p0.05(4.91%)	0.000549268	1.079960404 Hartree
314	RY*(2)H21 s(58.93%)p0.70(41.07%)	0.000113453	2.357558696 Hartree
315	RY*(3)H21 s(0.06%)p99.99(99.94%)	0.000086635	2.297483423 Hartree
316	RY*(4)H21 s(28.69%)p2.49(71.31%)	0.000050313	2.716101170 Hartree
317	RY*(5)H21 s(17.27%)p4.79(82.73%)	0.000019482	2.592090230 Hartree
318	RY*(1)H22 s(98.59%)p0.01(1.41%)	0.000891178	1.056660802 Hartree
319	RY*(2)H22 s(42.96%)p1.33(57.04%)	0.000119292	2.290752477 Hartree
320	RY*(3)H22 s(17.74%)p4.64(82.26%)	0.000070295	2.788224729 Hartree
321	RY*(4)H22 s(5.35%)p17.69(94.65%)	0.000071376	2.483621462 Hartree
322	RY*(5)H22 s(35.40%)p1.82(64.60%)	0.000026478	2.440582952 Hartree
323	RY*(1)H23 s(95.24%)p0.05(4.76%)	0.000545224	1.058732533 Hartree
324	RY*(2)H23 s(57.69%)p0.73(42.31%)	0.000119986	2.341119590 Hartree
325	RY*(3)H23 s(0.74%)p99.99(99.26%)	0.000091600	2.343209493 Hartree
326	RY*(4)H23 s(35.13%)p1.85(64.87%)	0.000051150	2.600016400 Hartree
327	RY*(5)H23 s(11.25%)p7.89(88.75%)	0.000021986	2.707297706 Hartree

Natural Bond Orbitals

Display Range		- / 327
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	BD(1)C1-C2	1, 2	1.984275692	-0.794763828 Hartree
2	BD(1)C1-H21	3, 4	1.991362221	-0.670166061 Hartree
3	BD(1)C1-H22	5, 6	1.990379447	-0.669057348 Hartree
4	BD(1)C1-H23	7, 8	1.991041965	-0.670523451 Hartree
5	BD(1)C2-C3	9, 10	1.978981955	-0.791893933 Hartree
6	BD(1)C2-C16	11, 12	1.985081923	-0.795622764 Hartree
7	BD(1)C2-H20	13, 14	1.971275735	-0.646693696 Hartree
8	BD(1)C3-C4	15, 16	1.985950663	-0.826464695 Hartree
9	BD(1)C3-H14	17, 18	1.980498431	-0.660861333 Hartree
10	BD(1)C3-H15	19, 20	1.980809514	-0.661962903 Hartree
11	BD(1)C4-O5	21, 22	1.989216637	-1.047813298 Hartree
12	BD(1)C4-H12	23, 24	1.986992450	-0.694972750 Hartree
13	BD(1)C4-H13	25, 26	1.987075735	-0.692586712 Hartree
14	BD(1)O5-C6	27, 28	1.992402802	-1.167297926 Hartree
15	BD(1)C6-C7	29, 30	1.985841387	-0.871186685 Hartree
16	BD(1)C6-O11	31, 32	1.996836884	-1.390482961 Hartree
17	BD(2)C6-O11	33, 34	1.991908955	-0.527629039 Hartree
18	BD(1)C7-H8	35, 36	1.980141247	-0.698464173 Hartree
19	BD(1)C7-H9	37, 38	1.989697872	-0.698885652 Hartree
20	BD(1)C7-H10	39, 40	1.980080140	-0.698448346 Hartree
21	BD(1)C16-H17	41, 42	1.991291126	-0.669962510 Hartree
22	BD(1)C16-H18	43, 44	1.990666605	-0.673704312 Hartree
23	BD(1)C16-H19	45, 46	1.990294032	-0.669636909 Hartree
24	CR(1)C1	47	1.999447480	-11.059718520 Hartree
25	CR(1)C2	48	1.999357704	-11.080851928 Hartree
26	CR(1)C3	49	1.999337979	-11.068018967 Hartree
27	CR(1)C4	50	1.999224029	-11.147085108 Hartree
28	CR(1)O5	51	1.999730825	-20.382702947 Hartree
29	CR(1)C6	52	1.999505506	-11.257786796 Hartree
30	CR(1)C7	53	1.999369337	-11.088783978 Hartree
31	CR(1)O11	54	1.999740167	-20.265115728 Hartree
32	CR(1)C16	55	1.999449909	-11.060132364 Hartree
33	LP(1)O5	56	1.972409750	-0.806613235 Hartree
34	LP(2)O5	57	1.854651881	-0.491350222 Hartree
35	LP(1)O11	58	1.979497650	-0.950133924 Hartree
36	LP(2)O11	59	1.890612015	-0.438568276 Hartree
37	RY*(1)C1	60	0.003041830	0.938985611 Hartree
38	RY*(2)C1	61	0.002359524	1.055443950 Hartree
39	RY*(3)C1	62	0.000584059	1.049940056 Hartree
40	RY*(4)C1	63	0.000258626	0.971973688 Hartree
41	RY*(5)C1	64	0.000211101	1.575389583 Hartree
42	RY*(6)C1	65	0.000183681	1.129003546 Hartree
43	RY*(7)C1	66	0.000074868	1.668093154 Hartree
44	RY*(8)C1	67	0.000048619	1.722347032 Hartree
45	RY*(9)C1	68	0.000030822	0.881558495 Hartree
46	RY*(10)C1	69	0.000005702	0.611244203 Hartree
47	RY*(11)C1	70	0.000003394	2.086384514 Hartree
48	RY*(12)C1	71	0.000000434	3.301939119 Hartree
49	RY*(13)C1	72	0.000000044	23.922985648 Hartree
50	RY*(14)C1	73	0.000000892	3.686526898 Hartree
51	RY*(15)C1	74	0.000008276	2.103196516 Hartree
52	RY*(16)C1	75	0.000001822	3.307772122 Hartree
53	RY*(17)C1	76	0.000005694	0.902372881 Hartree
54	RY*(18)C1	77	0.000000707	3.772234627 Hartree
55	RY*(19)C1	78	0.000003728	3.073889502 Hartree
56	RY*(20)C1	79	0.000002743	3.721159776 Hartree
57	RY*(21)C1	80	0.000007721	2.009527093 Hartree
58	RY*(22)C1	81	0.000003794	3.534438829 Hartree
59	RY*(1)C2	82	0.004667375	1.060501241 Hartree
60	RY*(2)C2	83	0.002266277	1.233442558 Hartree
61	RY*(3)C2	84	0.001378898	1.313810525 Hartree
62	RY*(4)C2	85	0.000967949	1.800802026 Hartree
63	RY*(5)C2	86	0.000773911	1.961518024 Hartree
64	RY*(6)C2	87	0.000604974	1.568806777 Hartree
65	RY*(7)C2	88	0.000382765	2.381825366 Hartree
66	RY*(8)C2	89	0.000354408	2.391878651 Hartree
67	RY*(9)C2	90	0.000158049	1.593209172 Hartree
68	RY*(10)C2	91	0.000162041	1.768381798 Hartree
69	RY*(11)C2	92	0.000057157	2.981796193 Hartree
70	RY*(12)C2	93	0.000039766	3.185342274 Hartree
71	RY*(13)C2	94	0.000014573	2.810611227 Hartree
72	RY*(14)C2	95	0.000011248	2.087654565 Hartree
73	RY*(15)C2	96	0.000011128	3.295405902 Hartree
74	RY*(16)C2	97	0.000000657	3.011065895 Hartree
75	RY*(17)C2	98	0.000000031	22.898040160 Hartree
76	RY*(18)C2	99	0.000007182	1.820866643 Hartree
77	RY*(19)C2	100	0.000000548	2.221315534 Hartree
78	RY*(20)C2	101	0.000006626	2.966505108 Hartree
79	RY*(21)C2	102	0.000009533	1.909673311 Hartree
80	RY*(22)C2	103	0.000008464	3.485472305 Hartree
81	RY*(1)C3	104	0.004479160	1.024777613 Hartree
82	RY*(2)C3	105	0.003250708	1.071287282 Hartree
83	RY*(3)C3	106	0.002970240	1.188226038 Hartree
84	RY*(4)C3	107	0.000831086	1.185204040 Hartree
85	RY*(5)C3	108	0.000686594	1.543062280 Hartree
86	RY*(6)C3	109	0.000532010	1.272542968 Hartree
87	RY*(7)C3	110	0.000354706	0.627701675 Hartree
88	RY*(8)C3	111	0.000292856	2.071976810 Hartree
89	RY*(9)C3	112	0.000205371	1.208469117 Hartree
90	RY*(10)C3	113	0.000093408	3.176995259 Hartree
91	RY*(11)C3	114	0.000068847	1.509090455 Hartree
92	RY*(12)C3	115	0.000044213	2.269181020 Hartree
93	RY*(13)C3	116	0.000027759	3.856190024 Hartree
94	RY*(14)C3	117	0.000010255	1.862797422 Hartree
95	RY*(15)C3	118	0.000010377	2.592648098 Hartree
96	RY*(16)C3	119	0.000002851	3.235504788 Hartree
97	RY*(17)C3	120	0.000012810	2.903245986 Hartree
98	RY*(18)C3	121	0.000007307	3.651877120 Hartree
99	RY*(19)C3	122	0.000000077	23.569768085 Hartree
100	RY*(20)C3	123	0.000007518	3.502976183 Hartree
101	RY*(21)C3	124	0.000005581	2.178966680 Hartree
102	RY*(22)C3	125	0.000003052	3.765756384 Hartree
103	RY*(1)C4	126	0.004440314	1.300568292 Hartree
104	RY*(2)C4	127	0.002551217	1.352209088 Hartree
105	RY*(3)C4	128	0.001988114	1.246117356 Hartree
106	RY*(4)C4	129	0.001730816	1.252322095 Hartree
107	RY*(5)C4	130	0.000977315	1.183289655 Hartree
108	RY*(6)C4	131	0.000547805	1.987382100 Hartree
109	RY*(7)C4	132	0.000468241	2.094862401 Hartree
110	RY*(8)C4	133	0.000315857	1.699049747 Hartree
111	RY*(9)C4	134	0.000162213	2.354174491 Hartree
112	RY*(10)C4	135	0.000127876	1.634510777 Hartree
113	RY*(11)C4	136	0.000090536	1.872454771 Hartree
114	RY*(12)C4	137	0.000068704	1.662806773 Hartree
115	RY*(13)C4	138	0.000042545	1.537267904 Hartree
116	RY*(14)C4	139	0.000017472	1.921464759 Hartree
117	RY*(15)C4	140	0.000022112	3.603074291 Hartree
118	RY*(16)C4	141	0.000002442	3.456975913 Hartree
119	RY*(17)C4	142	0.000003835	2.984465227 Hartree
120	RY*(18)C4	143	0.000011659	3.390404099 Hartree
121	RY*(19)C4	144	0.000006086	3.656777901 Hartree
122	RY*(20)C4	145	0.000000477	23.522802019 Hartree
123	RY*(21)C4	146	0.000006975	1.807605818 Hartree
124	RY*(22)C4	147	0.000000917	3.666260041 Hartree
125	RY*(1)O5	148	0.004545938	0.970931115 Hartree
126	RY*(2)O5	149	0.003224805	0.892224474 Hartree
127	RY*(3)O5	150	0.002269275	1.646609300 Hartree
128	RY*(4)O5	151	0.000982988	1.864545960 Hartree
129	RY*(5)O5	152	0.000248852	2.766091673 Hartree
130	RY*(6)O5	153	0.000218843	2.844321587 Hartree
131	RY*(7)O5	154	0.000143404	4.104483065 Hartree
132	RY*(8)O5	155	0.000124133	2.007491850 Hartree
133	RY*(9)O5	156	0.000083654	2.161324426 Hartree
134	RY*(10)O5	157	0.000054088	3.490355617 Hartree
135	RY*(11)O5	158	0.000036513	1.605014538 Hartree
136	RY*(12)O5	159	0.000026258	4.587591077 Hartree
137	RY*(13)O5	160	0.000012168	2.097271353 Hartree
138	RY*(14)O5	161	0.000004986	6.594805216 Hartree
139	RY*(15)O5	162	0.000007191	4.429742506 Hartree
140	RY*(16)O5	163	0.000004233	4.192374036 Hartree
141	RY*(17)O5	164	0.000001185	1.924660002 Hartree
142	RY*(18)O5	165	0.000000138	7.267015784 Hartree
143	RY*(19)O5	166	0.000000391	5.442982428 Hartree
144	RY*(20)O5	167	0.000000969	6.739291059 Hartree
145	RY*(21)O5	168	0.000000123	51.080282582 Hartree
146	RY*(22)O5	169	0.000000177	7.410029856 Hartree
147	RY*(1)C6	170	0.018891771	1.321526732 Hartree
148	RY*(2)C6	171	0.005328815	2.047708696 Hartree
149	RY*(3)C6	172	0.002524307	2.811671992 Hartree
150	RY*(4)C6	173	0.002289735	3.093522951 Hartree
151	RY*(5)C6	174	0.001199255	2.125786651 Hartree
152	RY*(6)C6	175	0.001011934	1.485565100 Hartree
153	RY*(7)C6	176	0.000390592	1.416486280 Hartree
154	RY*(8)C6	177	0.000367906	1.784766005 Hartree
155	RY*(9)C6	178	0.000224703	0.819878263 Hartree
156	RY*(10)C6	179	0.000103681	10.765819319 Hartree
157	RY*(11)C6	180	0.000030343	2.148346842 Hartree
158	RY*(12)C6	181	0.000003007	2.978710754 Hartree
159	RY*(13)C6	182	0.000009935	3.842106999 Hartree
160	RY*(14)C6	183	0.000011296	3.159137026 Hartree
161	RY*(15)C6	184	0.000005674	2.899914672 Hartree
162	RY*(16)C6	185	0.000004276	2.917560874 Hartree
163	RY*(17)C6	186	0.000000416	1.649232197 Hartree
164	RY*(18)C6	187	0.000002231	3.540817918 Hartree
165	RY*(19)C6	188	0.000003665	9.029942459 Hartree
166	RY*(20)C6	189	0.000002534	3.422834824 Hartree
167	RY*(21)C6	190	0.000000797	3.829672196 Hartree
168	RY*(22)C6	191	0.000006377	3.908599164 Hartree
169	RY*(1)C7	192	0.002569862	1.073331741 Hartree
170	RY*(2)C7	193	0.000856206	1.271648864 Hartree
171	RY*(3)C7	194	0.000406070	1.233692617 Hartree
172	RY*(4)C7	195	0.000322269	1.232200751 Hartree
173	RY*(5)C7	196	0.000303072	1.089619702 Hartree
174	RY*(6)C7	197	0.000276529	0.711123617 Hartree
175	RY*(7)C7	198	0.000138791	2.015345164 Hartree
176	RY*(8)C7	199	0.000001922	0.934906334 Hartree
177	RY*(9)C7	200	0.000001919	3.183259496 Hartree
178	RY*(10)C7	201	0.000011087	0.443108023 Hartree
179	RY*(11)C7	202	0.000004534	0.359684842 Hartree
180	RY*(12)C7	203	0.000003211	3.431224214 Hartree
181	RY*(13)C7	204	0.000009993	1.801882053 Hartree
182	RY*(14)C7	205	0.000002093	3.564331375 Hartree
183	RY*(15)C7	206	0.000009864	2.475504839 Hartree
184	RY*(16)C7	207	0.000000062	3.537537156 Hartree
185	RY*(17)C7	208	0.000007418	1.597195420 Hartree
186	RY*(18)C7	209	0.000002178	3.347137062 Hartree
187	RY*(19)C7	210	0.000000150	24.172855033 Hartree
188	RY*(20)C7	211	0.000002592	3.703048527 Hartree
189	RY*(21)C7	212	0.000005251	1.524593237 Hartree
190	RY*(22)C7	213	0.000003335	3.445580820 Hartree
191	RY*(1)H8	214	0.000879897	0.941641566 Hartree
192	RY*(2)H8	215	0.000096042	2.438850189 Hartree
193	RY*(3)H8	216	0.000095173	2.227681349 Hartree
194	RY*(4)H8	217	0.000068969	2.463259869 Hartree
195	RY*(5)H8	218	0.000021216	2.733253271 Hartree
196	RY*(1)H9	219	0.000697483	1.075251422 Hartree
197	RY*(2)H9	220	0.000107742	2.547506557 Hartree
198	RY*(3)H9	221	0.000092727	2.166579627 Hartree
199	RY*(4)H9	222	0.000059394	2.480324195 Hartree
200	RY*(5)H9	223	0.000022147	2.546908477 Hartree
201	RY*(1)H10	224	0.000876738	0.940113983 Hartree
202	RY*(2)H10	225	0.000096389	2.430568941 Hartree
203	RY*(3)H10	226	0.000095725	2.227894324 Hartree
204	RY*(4)H10	227	0.000068844	2.469940905 Hartree
205	RY*(5)H10	228	0.000021323	2.734915088 Hartree
206	RY*(1)O11	229	0.002831665	1.345338434 Hartree
207	RY*(2)O11	230	0.000869227	0.901603327 Hartree
208	RY*(3)O11	231	0.000584216	1.091757066 Hartree
209	RY*(4)O11	232	0.000270262	2.456572756 Hartree
210	RY*(5)O11	233	0.000173014	1.860370781 Hartree
211	RY*(6)O11	234	0.000150056	2.038817166 Hartree
212	RY*(7)O11	235	0.000085452	2.457798304 Hartree
213	RY*(8)O11	236	0.000062036	3.723618347 Hartree
214	RY*(9)O11	237	0.000042133	1.967495969 Hartree
215	RY*(10)O11	238	0.000016273	2.813716758 Hartree
216	RY*(11)O11	239	0.000003522	1.573111873 Hartree
217	RY*(12)O11	240	0.000000245	5.378056736 Hartree
218	RY*(13)O11	241	0.000000686	5.686035786 Hartree
219	RY*(14)O11	242	0.000000876	6.585847965 Hartree
220	RY*(15)O11	243	0.000009414	2.885689949 Hartree
221	RY*(16)O11	244	0.000000277	7.204448524 Hartree
222	RY*(17)O11	245	0.000000174	1.947714676 Hartree
223	RY*(18)O11	246	0.000000377	7.118587813 Hartree
224	RY*(19)O11	247	0.000004469	1.688065237 Hartree
225	RY*(20)O11	248	0.000000313	7.277091390 Hartree
226	RY*(21)O11	249	0.000000021	50.933216037 Hartree
227	RY*(22)O11	250	0.000000160	7.113095993 Hartree
228	RY*(1)H12	251	0.000822893	1.166648038 Hartree
229	RY*(2)H12	252	0.000213131	2.304567988 Hartree
230	RY*(3)H12	253	0.000074650	2.630580008 Hartree
231	RY*(4)H12	254	0.000046315	3.063937212 Hartree
232	RY*(5)H12	255	0.000050368	2.476606887 Hartree
233	RY*(1)H13	256	0.001199908	1.090081237 Hartree
234	RY*(2)H13	257	0.000201789	2.336047310 Hartree
235	RY*(3)H13	258	0.000086581	2.603453063 Hartree
236	RY*(4)H13	259	0.000059409	3.124313184 Hartree
237	RY*(5)H13	260	0.000043417	2.457620565 Hartree
238	RY*(1)H14	261	0.001185117	1.140320110 Hartree
239	RY*(2)H14	262	0.000171729	2.352561074 Hartree
240	RY*(3)H14	263	0.000115774	2.566620002 Hartree
241	RY*(4)H14	264	0.000043887	3.072881393 Hartree
242	RY*(5)H14	265	0.000037748	2.507133476 Hartree
243	RY*(1)H15	266	0.001381974	1.135656076 Hartree
244	RY*(2)H15	267	0.000161265	2.319817284 Hartree
245	RY*(3)H15	268	0.000116467	2.582879552 Hartree
246	RY*(4)H15	269	0.000048612	3.103526987 Hartree
247	RY*(5)H15	270	0.000036181	2.451238764 Hartree
248	RY*(1)C16	271	0.002882259	1.002081781 Hartree
249	RY*(2)C16	272	0.002590245	0.963949066 Hartree
250	RY*(3)C16	273	0.000621608	1.179715320 Hartree
251	RY*(4)C16	274	0.000260456	0.678031882 Hartree
252	RY*(5)C16	275	0.000256252	1.814281862 Hartree
253	RY*(6)C16	276	0.000164311	1.222445093 Hartree
254	RY*(7)C16	277	0.000073631	1.107118214 Hartree
255	RY*(8)C16	278	0.000070765	1.315977464 Hartree
256	RY*(9)C16	279	0.000059043	1.529591402 Hartree
257	RY*(10)C16	280	0.000042377	2.029723160 Hartree
258	RY*(11)C16	281	0.000003372	3.473349191 Hartree
259	RY*(12)C16	282	0.000011882	2.161597795 Hartree
260	RY*(13)C16	283	0.000005459	0.894167595 Hartree
261	RY*(14)C16	284	0.000004030	3.536354969 Hartree
262	RY*(15)C16	285	0.000007124	1.169035947 Hartree
263	RY*(16)C16	286	0.000001308	3.651354120 Hartree
264	RY*(17)C16	287	0.000002980	2.895483054 Hartree
265	RY*(18)C16	288	0.000000228	3.749578514 Hartree
266	RY*(19)C16	289	0.000000095	24.188527917 Hartree
267	RY*(20)C16	290	0.000000369	3.497590719 Hartree
268	RY*(21)C16	291	0.000002754	1.733251455 Hartree
269	RY*(22)C16	292	0.000009087	3.290008007 Hartree
270	RY*(1)H17	293	0.000553883	1.125982185 Hartree
271	RY*(2)H17	294	0.000105264	2.310807235 Hartree
272	RY*(3)H17	295	0.000084155	2.450953084 Hartree
273	RY*(4)H17	296	0.000048297	2.708865761 Hartree
274	RY*(5)H17	297	0.000022021	2.484366135 Hartree
275	RY*(1)H18	298	0.000482330	1.044096060 Hartree
276	RY*(2)H18	299	0.000116465	2.344273524 Hartree
277	RY*(3)H18	300	0.000086145	2.311519953 Hartree
278	RY*(4)H18	301	0.000054573	2.642409161 Hartree
279	RY*(5)H18	302	0.000027983	2.750660996 Hartree
280	RY*(1)H19	303	0.000865413	1.162103605 Hartree
281	RY*(2)H19	304	0.000111293	2.291078902 Hartree
282	RY*(3)H19	305	0.000084391	2.366058844 Hartree
283	RY*(4)H19	306	0.000069281	2.849602197 Hartree
284	RY*(5)H19	307	0.000026186	2.387217511 Hartree
285	RY*(1)H20	308	0.001491142	1.104579929 Hartree
286	RY*(2)H20	309	0.000104648	2.529934713 Hartree
287	RY*(3)H20	310	0.000095731	2.540316351 Hartree
288	RY*(4)H20	311	0.000061321	2.338648817 Hartree
289	RY*(5)H20	312	0.000038395	3.303474830 Hartree
290	RY*(1)H21	313	0.000549268	1.079960404 Hartree
291	RY*(2)H21	314	0.000113453	2.357558696 Hartree
292	RY*(3)H21	315	0.000086635	2.297483423 Hartree
293	RY*(4)H21	316	0.000050313	2.716101170 Hartree
294	RY*(5)H21	317	0.000019482	2.592090230 Hartree
295	RY*(1)H22	318	0.000891178	1.056660802 Hartree
296	RY*(2)H22	319	0.000119292	2.290752477 Hartree
297	RY*(3)H22	320	0.000070295	2.788224729 Hartree
298	RY*(4)H22	321	0.000071376	2.483621462 Hartree
299	RY*(5)H22	322	0.000026478	2.440582952 Hartree
300	RY*(1)H23	323	0.000545224	1.058732533 Hartree
301	RY*(2)H23	324	0.000119986	2.341119590 Hartree
302	RY*(3)H23	325	0.000091600	2.343209493 Hartree
303	RY*(4)H23	326	0.000051150	2.600016400 Hartree
304	RY*(5)H23	327	0.000021986	2.707297706 Hartree
305	BD*(1)C1-C2		0.010713345	0.648057464 Hartree
306	BD*(1)C1-H21		0.004478755	0.643912095 Hartree
307	BD*(1)C1-H22		0.007584230	0.634870757 Hartree
308	BD*(1)C1-H23		0.004775247	0.644641188 Hartree
309	BD*(1)C2-C3		0.015312179	0.652460136 Hartree
310	BD*(1)C2-C16		0.013296546	0.644999512 Hartree
311	BD*(1)C2-H20		0.022552376	0.626260242 Hartree
312	BD*(1)C3-C4		0.010253562	0.662368178 Hartree
313	BD*(1)C3-H14		0.011896524	0.638211534 Hartree
314	BD*(1)C3-H15		0.014730767	0.630677691 Hartree
315	BD*(1)C4-O5		0.020662907	0.517594735 Hartree
316	BD*(1)C4-H12		0.017155248	0.632351073 Hartree
317	BD*(1)C4-H13		0.018002704	0.623857083 Hartree
318	BD*(1)O5-C6		0.078911023	0.629072093 Hartree
319	BD*(1)C6-C7		0.040660217	0.636218087 Hartree
320	BD*(1)C6-O11		0.018076309	0.918920186 Hartree
321	BD*(2)C6-O11		0.154578119	0.199369178 Hartree
322	BD*(1)C7-H8		0.003697132	0.618027980 Hartree
323	BD*(1)C7-H9		0.002784110	0.633709502 Hartree
324	BD*(1)C7-H10		0.003696274	0.617931415 Hartree
325	BD*(1)C16-H17		0.005113350	0.644487584 Hartree
326	BD*(1)C16-H18		0.004640592	0.648569893 Hartree
327	BD*(1)C16-H19		0.007518740	0.633156222 Hartree

Quote

WHEN ALL ELSE FAILS, TRY THE BOSS'S SUGGESTION.

WebMO Job Summary

610424: 9 Product C7H14O2, Natural Bond Orbitals - Gaussian

Calculated Quantities

Overview

Rotational Constants

Molecular Orbitals

Natural Population Analysis

Natural Atomic Orbitals

Natural Hybrid Orbitals

Natural Bond Orbitals

Quote