WebMO Job Summary

Overview

Quantity	Value
Route	#N B3LYP/6-31G(d) SP GFINPUT POP=(FULL,NBORead) Geom=Connectivity
Stoichiometry	C₁₃H₁₄O₆
Symmetry	C1
Basis	6-31G(d)
RB3LYP Energy	-955.073117329 Hartree
Dipole Moment	5.2175 Debye
Server	default (2770160)
CPU time	462.9 sec

Rotational Constants

Constant	Frequency (GHz)	Frequency (cm^-1)
a	0.5470562	0.01824783064
b	0.3196825	0.01066346039
c	0.2321513	0.00774373383

Molecular Orbitals

Display Range		- / 313
Orbital	Symmetry	Occupancy	Energy	Actions
1	-	2	-19.20492 Hartree
2	-	2	-19.19109 Hartree
3	-	2	-19.18997 Hartree
4	-	2	-19.14606 Hartree
5	-	2	-19.14078 Hartree
6	-	2	-19.14054 Hartree
7	-	2	-10.33010 Hartree
8	-	2	-10.32479 Hartree
9	-	2	-10.32439 Hartree
10	-	2	-10.27984 Hartree
11	-	2	-10.25448 Hartree
12	-	2	-10.25392 Hartree
13	-	2	-10.24656 Hartree
14	-	2	-10.24088 Hartree
15	-	2	-10.23251 Hartree
16	-	2	-10.22038 Hartree
17	-	2	-10.21333 Hartree
18	-	2	-10.19736 Hartree
19	-	2	-10.19372 Hartree
20	-	2	-1.11868 Hartree
21	-	2	-1.11385 Hartree
22	-	2	-1.11047 Hartree
23	-	2	-1.03298 Hartree
24	-	2	-1.02592 Hartree
25	-	2	-1.02165 Hartree
26	-	2	-0.89590 Hartree
27	-	2	-0.81889 Hartree
28	-	2	-0.79295 Hartree
29	-	2	-0.77190 Hartree
30	-	2	-0.76611 Hartree
31	-	2	-0.70654 Hartree
32	-	2	-0.69108 Hartree
33	-	2	-0.65266 Hartree
34	-	2	-0.63761 Hartree
35	-	2	-0.61998 Hartree
36	-	2	-0.59633 Hartree
37	-	2	-0.56595 Hartree
38	-	2	-0.55404 Hartree
39	-	2	-0.52695 Hartree
40	-	2	-0.51867 Hartree
41	-	2	-0.51128 Hartree
42	-	2	-0.50054 Hartree
43	-	2	-0.49650 Hartree
44	-	2	-0.48809 Hartree
45	-	2	-0.46750 Hartree
46	-	2	-0.46579 Hartree
47	-	2	-0.45233 Hartree
48	-	2	-0.45122 Hartree
49	-	2	-0.43943 Hartree
50	-	2	-0.43268 Hartree
51	-	2	-0.41579 Hartree
52	-	2	-0.41436 Hartree
53	-	2	-0.40880 Hartree
54	-	2	-0.40286 Hartree
55	-	2	-0.39626 Hartree
56	-	2	-0.39094 Hartree
57	-	2	-0.38814 Hartree
58	-	2	-0.37790 Hartree
59	-	2	-0.37048 Hartree
60	-	2	-0.36093 Hartree
61	-	2	-0.34772 Hartree
62	-	2	-0.32887 Hartree
63	-	2	-0.32008 Hartree
64	-	2	-0.30804 Hartree
65	-	2	-0.30457 Hartree
66	-	2	-0.29738 Hartree
67	-	2	-0.28092 Hartree
68	-	2	-0.27451 Hartree
69	-	2	-0.27186 Hartree
70	-	2	-0.26214 Hartree
71	-	0	-0.11122 Hartree
72	-	0	-0.02755 Hartree
73	-	0	0.01068 Hartree
74	-	0	0.03128 Hartree
75	-	0	0.07164 Hartree
76	-	0	0.07610 Hartree
77	-	0	0.10100 Hartree
78	-	0	0.10616 Hartree
79	-	0	0.11385 Hartree
80	-	0	0.11956 Hartree
81	-	0	0.12502 Hartree
82	-	0	0.13275 Hartree
83	-	0	0.13878 Hartree
84	-	0	0.14121 Hartree
85	-	0	0.14649 Hartree
86	-	0	0.15390 Hartree
87	-	0	0.15813 Hartree
88	-	0	0.16402 Hartree
89	-	0	0.16874 Hartree
90	-	0	0.17269 Hartree
91	-	0	0.17813 Hartree
92	-	0	0.18678 Hartree
93	-	0	0.19032 Hartree
94	-	0	0.19539 Hartree
95	-	0	0.20561 Hartree
96	-	0	0.21922 Hartree
97	-	0	0.22648 Hartree
98	-	0	0.24549 Hartree
99	-	0	0.26840 Hartree
100	-	0	0.28486 Hartree
101	-	0	0.29824 Hartree
102	-	0	0.30069 Hartree
103	-	0	0.33507 Hartree
104	-	0	0.34562 Hartree
105	-	0	0.37303 Hartree
106	-	0	0.38436 Hartree
107	-	0	0.41023 Hartree
108	-	0	0.46212 Hartree
109	-	0	0.47013 Hartree
110	-	0	0.47141 Hartree
111	-	0	0.47724 Hartree
112	-	0	0.49528 Hartree
113	-	0	0.50803 Hartree
114	-	0	0.51779 Hartree
115	-	0	0.52349 Hartree
116	-	0	0.53324 Hartree
117	-	0	0.53355 Hartree
118	-	0	0.53746 Hartree
119	-	0	0.54759 Hartree
120	-	0	0.54934 Hartree
121	-	0	0.56132 Hartree
122	-	0	0.56799 Hartree
123	-	0	0.58102 Hartree
124	-	0	0.59179 Hartree
125	-	0	0.59394 Hartree
126	-	0	0.60042 Hartree
127	-	0	0.61472 Hartree
128	-	0	0.61795 Hartree
129	-	0	0.62822 Hartree
130	-	0	0.63535 Hartree
131	-	0	0.64857 Hartree
132	-	0	0.65141 Hartree
133	-	0	0.65747 Hartree
134	-	0	0.66529 Hartree
135	-	0	0.66934 Hartree
136	-	0	0.69695 Hartree
137	-	0	0.71273 Hartree
138	-	0	0.72481 Hartree
139	-	0	0.73235 Hartree
140	-	0	0.75575 Hartree
141	-	0	0.76428 Hartree
142	-	0	0.76963 Hartree
143	-	0	0.77690 Hartree
144	-	0	0.79158 Hartree
145	-	0	0.80152 Hartree
146	-	0	0.81751 Hartree
147	-	0	0.82504 Hartree
148	-	0	0.82811 Hartree
149	-	0	0.83171 Hartree
150	-	0	0.83894 Hartree
151	-	0	0.84639 Hartree
152	-	0	0.85893 Hartree
153	-	0	0.86990 Hartree
154	-	0	0.87362 Hartree
155	-	0	0.88012 Hartree
156	-	0	0.88322 Hartree
157	-	0	0.89501 Hartree
158	-	0	0.89675 Hartree
159	-	0	0.91363 Hartree
160	-	0	0.92082 Hartree
161	-	0	0.93006 Hartree
162	-	0	0.94603 Hartree
163	-	0	0.94814 Hartree
164	-	0	0.96098 Hartree
165	-	0	0.97393 Hartree
166	-	0	0.99310 Hartree
167	-	0	0.99594 Hartree
168	-	0	1.01222 Hartree
169	-	0	1.01975 Hartree
170	-	0	1.04263 Hartree
171	-	0	1.05794 Hartree
172	-	0	1.07299 Hartree
173	-	0	1.08098 Hartree
174	-	0	1.08806 Hartree
175	-	0	1.10283 Hartree
176	-	0	1.10883 Hartree
177	-	0	1.13269 Hartree
178	-	0	1.14922 Hartree
179	-	0	1.16216 Hartree
180	-	0	1.19000 Hartree
181	-	0	1.20582 Hartree
182	-	0	1.22195 Hartree
183	-	0	1.25012 Hartree
184	-	0	1.27641 Hartree
185	-	0	1.29098 Hartree
186	-	0	1.30982 Hartree
187	-	0	1.34372 Hartree
188	-	0	1.36158 Hartree
189	-	0	1.37590 Hartree
190	-	0	1.38733 Hartree
191	-	0	1.40503 Hartree
192	-	0	1.41547 Hartree
193	-	0	1.43147 Hartree
194	-	0	1.45330 Hartree
195	-	0	1.47960 Hartree
196	-	0	1.49406 Hartree
197	-	0	1.51018 Hartree
198	-	0	1.52962 Hartree
199	-	0	1.55928 Hartree
200	-	0	1.56607 Hartree
201	-	0	1.58495 Hartree
202	-	0	1.59407 Hartree
203	-	0	1.60943 Hartree
204	-	0	1.63671 Hartree
205	-	0	1.65760 Hartree
206	-	0	1.67100 Hartree
207	-	0	1.68713 Hartree
208	-	0	1.70216 Hartree
209	-	0	1.71307 Hartree
210	-	0	1.72244 Hartree
211	-	0	1.73315 Hartree
212	-	0	1.76303 Hartree
213	-	0	1.76892 Hartree
214	-	0	1.77509 Hartree
215	-	0	1.79248 Hartree
216	-	0	1.79772 Hartree
217	-	0	1.80512 Hartree
218	-	0	1.82116 Hartree
219	-	0	1.82448 Hartree
220	-	0	1.84075 Hartree
221	-	0	1.84772 Hartree
222	-	0	1.86888 Hartree
223	-	0	1.87606 Hartree
224	-	0	1.88942 Hartree
225	-	0	1.89745 Hartree
226	-	0	1.90434 Hartree
227	-	0	1.92093 Hartree
228	-	0	1.92416 Hartree
229	-	0	1.94782 Hartree
230	-	0	1.96051 Hartree
231	-	0	1.97275 Hartree
232	-	0	1.98104 Hartree
233	-	0	1.99374 Hartree
234	-	0	2.00997 Hartree
235	-	0	2.03645 Hartree
236	-	0	2.04174 Hartree
237	-	0	2.04886 Hartree
238	-	0	2.06355 Hartree
239	-	0	2.06855 Hartree
240	-	0	2.08199 Hartree
241	-	0	2.09866 Hartree
242	-	0	2.11801 Hartree
243	-	0	2.12223 Hartree
244	-	0	2.14679 Hartree
245	-	0	2.15553 Hartree
246	-	0	2.17867 Hartree
247	-	0	2.19316 Hartree
248	-	0	2.19974 Hartree
249	-	0	2.23284 Hartree
250	-	0	2.25511 Hartree
251	-	0	2.26662 Hartree
252	-	0	2.27881 Hartree
253	-	0	2.29369 Hartree
254	-	0	2.30615 Hartree
255	-	0	2.31782 Hartree
256	-	0	2.32395 Hartree
257	-	0	2.34458 Hartree
258	-	0	2.36520 Hartree
259	-	0	2.39494 Hartree
260	-	0	2.40940 Hartree
261	-	0	2.42285 Hartree
262	-	0	2.43226 Hartree
263	-	0	2.46930 Hartree
264	-	0	2.47365 Hartree
265	-	0	2.50872 Hartree
266	-	0	2.53139 Hartree
267	-	0	2.55749 Hartree
268	-	0	2.57775 Hartree
269	-	0	2.58471 Hartree
270	-	0	2.61758 Hartree
271	-	0	2.63163 Hartree
272	-	0	2.63589 Hartree
273	-	0	2.65712 Hartree
274	-	0	2.66848 Hartree
275	-	0	2.68986 Hartree
276	-	0	2.72126 Hartree
277	-	0	2.73669 Hartree
278	-	0	2.76214 Hartree
279	-	0	2.78736 Hartree
280	-	0	2.81526 Hartree
281	-	0	2.82427 Hartree
282	-	0	2.86588 Hartree
283	-	0	2.87193 Hartree
284	-	0	2.89716 Hartree
285	-	0	2.93439 Hartree
286	-	0	2.94781 Hartree
287	-	0	2.96986 Hartree
288	-	0	3.02652 Hartree
289	-	0	3.05061 Hartree
290	-	0	3.08711 Hartree
291	-	0	3.15176 Hartree
292	-	0	3.17013 Hartree
293	-	0	3.34130 Hartree
294	-	0	3.43292 Hartree
295	-	0	3.97386 Hartree
296	-	0	3.99395 Hartree
297	-	0	4.03051 Hartree
298	-	0	4.14301 Hartree
299	-	0	4.16642 Hartree
300	-	0	4.17257 Hartree
301	-	0	4.22405 Hartree
302	-	0	4.25884 Hartree
303	-	0	4.31953 Hartree
304	-	0	4.37969 Hartree
305	-	0	4.40060 Hartree
306	-	0	4.42479 Hartree
307	-	0	4.45708 Hartree
308	-	0	4.46230 Hartree
309	-	0	4.54376 Hartree
310	-	0	4.62176 Hartree
311	-	0	4.70724 Hartree
312	-	0	4.78905 Hartree
313	-	0	5.06068 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom	Symbol	Charge
1	C	0.03982
2	C	-0.24282
3	C	-0.19366
4	C	-0.40904
5	C	-0.03114
6	C	-0.07403
7	C	0.76165
8	O	-0.58471
9	O	-0.52747
10	C	-0.11754
11	C	-0.71362
12	H	0.23994
13	H	0.24445
14	H	0.23378
15	H	0.23098
16	H	0.23256
17	C	0.76251
18	O	-0.57378
19	O	-0.52696
20	C	-0.11515
21	C	-0.70268
22	H	0.24232
23	H	0.23842
24	H	0.23353
25	H	0.22493
26	H	0.22816
27	H	0.32206
28	C	0.83747
29	O	-0.52553
30	O	-0.54745
31	H	0.25892
32	H	0.25389
33	H	0.30018

Natural Atomic Orbitals

Display Range		- / 313
Orbital	Description	Occupancy	Energy	Actions
1	C1 Cor(1S)	1.999037094	-10.153402764 Hartree
2	C1 Val(2S)	0.966555450	-0.249643079 Hartree
3	C1 Ryd(3S)	0.001313435	1.717963083 Hartree
4	C1 Ryd(4S)	0.000057831	4.370378386 Hartree
5	C1 Val(2p)	0.886960291	-0.104207291 Hartree
6	C1 Ryd(3p)	0.004863796	0.661427995 Hartree
7	C1 Val(2p)	1.150311250	-0.129661522 Hartree
8	C1 Ryd(3p)	0.008244291	1.235441187 Hartree
9	C1 Val(2p)	0.929477044	-0.108932572 Hartree
10	C1 Ryd(3p)	0.006454458	0.661241711 Hartree
11	C1 Ryd(3d)	0.001224133	2.204798614 Hartree
12	C1 Ryd(3d)	0.001566540	2.145065276 Hartree
13	C1 Ryd(3d)	0.001245745	2.065486573 Hartree
14	C1 Ryd(3d)	0.001328873	2.231055465 Hartree
15	C1 Ryd(3d)	0.001535500	2.205830000 Hartree
16	C2 Cor(1S)	1.998941476	-10.067965608 Hartree
17	C2 Val(2S)	0.983046525	-0.215862727 Hartree
18	C2 Ryd(3S)	0.001146252	1.030949972 Hartree
19	C2 Ryd(4S)	0.000050080	4.250059476 Hartree
20	C2 Val(2p)	1.014991842	-0.122358665 Hartree
21	C2 Ryd(3p)	0.002171661	0.643324675 Hartree
22	C2 Val(2p)	1.166251654	-0.081985841 Hartree
23	C2 Ryd(3p)	0.004309926	0.809564643 Hartree
24	C2 Val(2p)	1.064569585	-0.082612983 Hartree
25	C2 Ryd(3p)	0.004349170	0.826901568 Hartree
26	C2 Ryd(3d)	0.000702586	1.980165601 Hartree
27	C2 Ryd(3d)	0.000431318	2.054453147 Hartree
28	C2 Ryd(3d)	0.000814244	2.262983960 Hartree
29	C2 Ryd(3d)	0.000548261	2.318370862 Hartree
30	C2 Ryd(3d)	0.000497960	2.207166015 Hartree
31	C3 Cor(1S)	1.998935905	-10.073999899 Hartree
32	C3 Val(2S)	0.974888798	-0.213118281 Hartree
33	C3 Ryd(3S)	0.001080127	1.052818010 Hartree
34	C3 Ryd(4S)	0.000050201	4.265902754 Hartree
35	C3 Val(2p)	1.014386439	-0.124242554 Hartree
36	C3 Ryd(3p)	0.002280977	0.660759316 Hartree
37	C3 Val(2p)	1.068612289	-0.073803965 Hartree
38	C3 Ryd(3p)	0.005146583	0.646841045 Hartree
39	C3 Val(2p)	1.120484305	-0.087757375 Hartree
40	C3 Ryd(3p)	0.004662566	0.973696583 Hartree
41	C3 Ryd(3d)	0.000754999	1.996419623 Hartree
42	C3 Ryd(3d)	0.000474528	2.101174232 Hartree
43	C3 Ryd(3d)	0.000787154	2.268931705 Hartree
44	C3 Ryd(3d)	0.000427717	2.297162950 Hartree
45	C3 Ryd(3d)	0.000687368	2.202969469 Hartree
46	C4 Cor(1S)	1.999031219	-10.090748400 Hartree
47	C4 Val(2S)	1.010857415	-0.255343672 Hartree
48	C4 Ryd(3S)	0.000937425	1.921690410 Hartree
49	C4 Ryd(4S)	0.000051066	4.294576298 Hartree
50	C4 Val(2p)	1.033739598	-0.119716075 Hartree
51	C4 Ryd(3p)	0.003035043	0.712879662 Hartree
52	C4 Val(2p)	1.260002250	-0.135293941 Hartree
53	C4 Ryd(3p)	0.007913380	1.265051187 Hartree
54	C4 Val(2p)	1.085909182	-0.132183298 Hartree
55	C4 Ryd(3p)	0.003733007	0.744915069 Hartree
56	C4 Ryd(3d)	0.000710241	2.193357269 Hartree
57	C4 Ryd(3d)	0.000732470	2.186820117 Hartree
58	C4 Ryd(3d)	0.000792615	2.209957596 Hartree
59	C4 Ryd(3d)	0.000875487	2.284572606 Hartree
60	C4 Ryd(3d)	0.000719962	2.120676256 Hartree
61	C5 Cor(1S)	1.998793973	-10.087096302 Hartree
62	C5 Val(2S)	0.881227567	-0.167219224 Hartree
63	C5 Ryd(3S)	0.002011943	1.177013914 Hartree
64	C5 Ryd(4S)	0.000094487	4.194370003 Hartree
65	C5 Val(2p)	1.061471908	-0.103965583 Hartree
66	C5 Ryd(3p)	0.006606534	1.287849128 Hartree
67	C5 Val(2p)	1.097401832	-0.092051031 Hartree
68	C5 Ryd(3p)	0.005058993	1.195174243 Hartree
69	C5 Val(2p)	0.972735094	-0.140476037 Hartree
70	C5 Ryd(3p)	0.002479178	0.752882577 Hartree
71	C5 Ryd(3d)	0.000984359	2.492894542 Hartree
72	C5 Ryd(3d)	0.000573340	2.053550715 Hartree
73	C5 Ryd(3d)	0.000581926	2.075584124 Hartree
74	C5 Ryd(3d)	0.000631548	2.500170199 Hartree
75	C5 Ryd(3d)	0.000484622	2.285325038 Hartree
76	C6 Cor(1S)	1.998781354	-10.081576557 Hartree
77	C6 Val(2S)	0.890376387	-0.170079175 Hartree
78	C6 Ryd(3S)	0.002053003	1.152210103 Hartree
79	C6 Ryd(4S)	0.000106234	4.164629267 Hartree
80	C6 Val(2p)	1.086765169	-0.109712174 Hartree
81	C6 Ryd(3p)	0.005650403	1.323217089 Hartree
82	C6 Val(2p)	1.092176443	-0.089346556 Hartree
83	C6 Ryd(3p)	0.005412685	1.135321742 Hartree
84	C6 Val(2p)	0.986773736	-0.139580629 Hartree
85	C6 Ryd(3p)	0.002844098	0.757609007 Hartree
86	C6 Ryd(3d)	0.000735129	2.475456158 Hartree
87	C6 Ryd(3d)	0.000550230	2.013161015 Hartree
88	C6 Ryd(3d)	0.000622357	2.070086977 Hartree
89	C6 Ryd(3d)	0.000763312	2.523061257 Hartree
90	C6 Ryd(3d)	0.000423142	2.291310788 Hartree
91	C7 Cor(1S)	1.998887525	-10.189375302 Hartree
92	C7 Val(2S)	0.748651134	-0.115898510 Hartree
93	C7 Ryd(3S)	0.002929592	1.829949904 Hartree
94	C7 Ryd(4S)	0.000391078	2.692344542 Hartree
95	C7 Val(2p)	0.837313646	-0.028031113 Hartree
96	C7 Ryd(3p)	0.006599339	0.966348417 Hartree
97	C7 Val(2p)	0.790211422	-0.020072877 Hartree
98	C7 Ryd(3p)	0.018935557	0.864583649 Hartree
99	C7 Val(2p)	0.822018689	-0.132025734 Hartree
100	C7 Ryd(3p)	0.002476885	0.614829589 Hartree
101	C7 Ryd(3d)	0.003533528	2.666789175 Hartree
102	C7 Ryd(3d)	0.001903933	2.051023588 Hartree
103	C7 Ryd(3d)	0.001743318	2.291065524 Hartree
104	C7 Ryd(3d)	0.002149766	2.624497073 Hartree
105	C7 Ryd(3d)	0.000601240	2.392764287 Hartree
106	O8 Cor(1S)	1.999796737	-18.875803237 Hartree
107	O8 Val(2S)	1.701076728	-0.894206648 Hartree
108	O8 Ryd(3S)	0.000427059	2.012259497 Hartree
109	O8 Ryd(4S)	0.000109723	3.465044054 Hartree
110	O8 Val(2p)	1.860298720	-0.265427206 Hartree
111	O8 Ryd(3p)	0.001765091	1.265833506 Hartree
112	O8 Val(2p)	1.579378206	-0.303430763 Hartree
113	O8 Ryd(3p)	0.000411648	1.382256669 Hartree
114	O8 Val(2p)	1.425624199	-0.254207036 Hartree
115	O8 Ryd(3p)	0.000798396	1.058500395 Hartree
116	O8 Ryd(3d)	0.004446014	2.056612836 Hartree
117	O8 Ryd(3d)	0.000287213	1.824168327 Hartree
118	O8 Ryd(3d)	0.004562970	1.943513577 Hartree
119	O8 Ryd(3d)	0.004155852	2.308662408 Hartree
120	O8 Ryd(3d)	0.001575569	2.033512697 Hartree
121	O9 Cor(1S)	1.999718846	-18.984925449 Hartree
122	O9 Val(2S)	1.595865311	-0.873802588 Hartree
123	O9 Ryd(3S)	0.001351069	1.961633873 Hartree
124	O9 Ryd(4S)	0.000116757	3.855883909 Hartree
125	O9 Val(2p)	1.383237470	-0.315739608 Hartree
126	O9 Ryd(3p)	0.000913853	1.460782271 Hartree
127	O9 Val(2p)	1.746414338	-0.333191141 Hartree
128	O9 Ryd(3p)	0.002061458	1.367153366 Hartree
129	O9 Val(2p)	1.790183978	-0.318554488 Hartree
130	O9 Ryd(3p)	0.002167052	1.103553288 Hartree
131	O9 Ryd(3d)	0.001089841	2.649271463 Hartree
132	O9 Ryd(3d)	0.000453273	2.016782829 Hartree
133	O9 Ryd(3d)	0.001530030	1.913450968 Hartree
134	O9 Ryd(3d)	0.001590324	2.385200474 Hartree
135	O9 Ryd(3d)	0.000774668	2.273007499 Hartree
136	C10 Cor(1S)	1.999272904	-10.139164757 Hartree
137	C10 Val(2S)	1.034900046	-0.266869710 Hartree
138	C10 Ryd(3S)	0.001759238	1.270765144 Hartree
139	C10 Ryd(4S)	0.000040933	4.268082133 Hartree
140	C10 Val(2p)	0.912532033	-0.083244267 Hartree
141	C10 Ryd(3p)	0.004519452	0.743497927 Hartree
142	C10 Val(2p)	1.024175839	-0.088735672 Hartree
143	C10 Ryd(3p)	0.005047100	0.676903787 Hartree
144	C10 Val(2p)	1.127699017	-0.099082147 Hartree
145	C10 Ryd(3p)	0.000941896	0.597904030 Hartree
146	C10 Ryd(3d)	0.002093463	2.256579667 Hartree
147	C10 Ryd(3d)	0.000943014	1.913802731 Hartree
148	C10 Ryd(3d)	0.001392742	2.183167886 Hartree
149	C10 Ryd(3d)	0.001072157	2.010546257 Hartree
150	C10 Ryd(3d)	0.001153792	2.148404548 Hartree
151	C11 Cor(1S)	1.999451923	-10.069726017 Hartree
152	C11 Val(2S)	1.127465744	-0.287966113 Hartree
153	C11 Ryd(3S)	0.000512060	1.224150305 Hartree
154	C11 Ryd(4S)	0.000011532	4.207992496 Hartree
155	C11 Val(2p)	1.247289091	-0.098275545 Hartree
156	C11 Ryd(3p)	0.001190851	0.650635878 Hartree
157	C11 Val(2p)	1.215545588	-0.095918623 Hartree
158	C11 Ryd(3p)	0.001379121	0.640067040 Hartree
159	C11 Val(2p)	1.116518055	-0.091762046 Hartree
160	C11 Ryd(3p)	0.001025530	0.554944825 Hartree
161	C11 Ryd(3d)	0.001038174	2.159037326 Hartree
162	C11 Ryd(3d)	0.000249428	1.866395541 Hartree
163	C11 Ryd(3d)	0.000929819	2.175028071 Hartree
164	C11 Ryd(3d)	0.000282807	1.889964001 Hartree
165	C11 Ryd(3d)	0.000727926	2.087956279 Hartree
166	H12 Val(1S)	0.759270955	0.062785561 Hartree
167	H12 Ryd(2S)	0.000786804	0.643540333 Hartree
168	H13 Val(1S)	0.754363789	0.074796879 Hartree
169	H13 Ryd(2S)	0.001183598	0.680111176 Hartree
170	H14 Val(1S)	0.764826936	0.064420056 Hartree
171	H14 Ryd(2S)	0.001394460	0.649653830 Hartree
172	H15 Val(1S)	0.767768763	0.058894841 Hartree
173	H15 Ryd(2S)	0.001252263	0.660070818 Hartree
174	H16 Val(1S)	0.765183214	0.064576728 Hartree
175	H16 Ryd(2S)	0.002254664	0.659512591 Hartree
176	C17 Cor(1S)	1.998880838	-10.189127433 Hartree
177	C17 Val(2S)	0.746521438	-0.115603235 Hartree
178	C17 Ryd(3S)	0.002853365	1.845475209 Hartree
179	C17 Ryd(4S)	0.000330126	2.659980387 Hartree
180	C17 Val(2p)	0.789298621	-0.021567714 Hartree
181	C17 Ryd(3p)	0.008063125	0.947423323 Hartree
182	C17 Val(2p)	0.846302569	-0.028533707 Hartree
183	C17 Ryd(3p)	0.015640057	0.886189341 Hartree
184	C17 Val(2p)	0.816853671	-0.128174892 Hartree
185	C17 Ryd(3p)	0.002885012	0.613711328 Hartree
186	C17 Ryd(3d)	0.002704752	2.681654904 Hartree
187	C17 Ryd(3d)	0.002223737	2.091767930 Hartree
188	C17 Ryd(3d)	0.001304877	2.260147601 Hartree
189	C17 Ryd(3d)	0.002805508	2.592430775 Hartree
190	C17 Ryd(3d)	0.000821577	2.397392114 Hartree
191	O18 Cor(1S)	1.999801324	-18.875483028 Hartree
192	O18 Val(2S)	1.701994882	-0.893437622 Hartree
193	O18 Ryd(3S)	0.000439948	2.011005082 Hartree
194	O18 Ryd(4S)	0.000106930	3.468153370 Hartree
195	O18 Val(2p)	1.824545479	-0.267704916 Hartree
196	O18 Ryd(3p)	0.001730302	1.271930764 Hartree
197	O18 Val(2p)	1.609842000	-0.296042821 Hartree
198	O18 Ryd(3p)	0.000424118	1.356819150 Hartree
199	O18 Val(2p)	1.419021513	-0.254591543 Hartree
200	O18 Ryd(3p)	0.000820672	1.061545350 Hartree
201	O18 Ryd(3d)	0.004245220	2.135207064 Hartree
202	O18 Ryd(3d)	0.000774984	1.855200237 Hartree
203	O18 Ryd(3d)	0.004171964	1.980935911 Hartree
204	O18 Ryd(3d)	0.004132516	2.190164094 Hartree
205	O18 Ryd(3d)	0.001729890	2.008267715 Hartree
206	O19 Cor(1S)	1.999712658	-18.985380893 Hartree
207	O19 Val(2S)	1.601361880	-0.876924051 Hartree
208	O19 Ryd(3S)	0.001386529	2.063889739 Hartree
209	O19 Ryd(4S)	0.000129201	3.739294479 Hartree
210	O19 Val(2p)	1.450827227	-0.319104100 Hartree
211	O19 Ryd(3p)	0.001335137	1.400446640 Hartree
212	O19 Val(2p)	1.679119305	-0.329809680 Hartree
213	O19 Ryd(3p)	0.001682718	1.439666058 Hartree
214	O19 Val(2p)	1.783807145	-0.320106448 Hartree
215	O19 Ryd(3p)	0.002143319	1.118986041 Hartree
216	O19 Ryd(3d)	0.001252408	2.430843106 Hartree
217	O19 Ryd(3d)	0.000751732	2.079059922 Hartree
218	O19 Ryd(3d)	0.001144585	1.941412256 Hartree
219	O19 Ryd(3d)	0.001450848	2.560502414 Hartree
220	O19 Ryd(3d)	0.000857951	2.226531147 Hartree
221	C20 Cor(1S)	1.999284544	-10.138485887 Hartree
222	C20 Val(2S)	1.039039407	-0.269436917 Hartree
223	C20 Ryd(3S)	0.002788400	1.234051490 Hartree
224	C20 Ryd(4S)	0.000035600	4.239890101 Hartree
225	C20 Val(2p)	0.945759487	-0.084719262 Hartree
226	C20 Ryd(3p)	0.003646449	0.728952982 Hartree
227	C20 Val(2p)	0.887223640	-0.076802814 Hartree
228	C20 Ryd(3p)	0.002784283	0.581309437 Hartree
229	C20 Val(2p)	1.226045419	-0.106514205 Hartree
230	C20 Ryd(3p)	0.001883210	0.714653880 Hartree
231	C20 Ryd(3d)	0.001870606	2.191667725 Hartree
232	C20 Ryd(3d)	0.000832595	1.961139916 Hartree
233	C20 Ryd(3d)	0.001522181	2.079686882 Hartree
234	C20 Ryd(3d)	0.001185903	2.158997826 Hartree
235	C20 Ryd(3d)	0.001246946	2.115112319 Hartree
236	C21 Cor(1S)	1.999450562	-10.073512907 Hartree
237	C21 Val(2S)	1.125123933	-0.289582880 Hartree
238	C21 Ryd(3S)	0.000521538	1.224952488 Hartree
239	C21 Ryd(4S)	0.000009211	4.209204347 Hartree
240	C21 Val(2p)	1.103109426	-0.093324460 Hartree
241	C21 Ryd(3p)	0.001336869	0.557218142 Hartree
242	C21 Val(2p)	1.235270137	-0.099189671 Hartree
243	C21 Ryd(3p)	0.001680993	0.658104691 Hartree
244	C21 Val(2p)	1.231813208	-0.099486097 Hartree
245	C21 Ryd(3p)	0.001141878	0.613813040 Hartree
246	C21 Ryd(3d)	0.000869922	2.105207523 Hartree
247	C21 Ryd(3d)	0.000384765	1.937232662 Hartree
248	C21 Ryd(3d)	0.000734730	2.022128758 Hartree
249	C21 Ryd(3d)	0.000399692	1.986012752 Hartree
250	C21 Ryd(3d)	0.000833749	2.078252028 Hartree
251	H22 Val(1S)	0.757004030	0.060209703 Hartree
252	H22 Ryd(2S)	0.000676411	0.642173788 Hartree
253	H23 Val(1S)	0.760309796	0.066359057 Hartree
254	H23 Ryd(2S)	0.001265576	0.655749850 Hartree
255	H24 Val(1S)	0.765191724	0.062990272 Hartree
256	H24 Ryd(2S)	0.001282184	0.678254304 Hartree
257	H25 Val(1S)	0.773040706	0.058247807 Hartree
258	H25 Ryd(2S)	0.002034075	0.641854848 Hartree
259	H26 Val(1S)	0.769772860	0.059397959 Hartree
260	H26 Ryd(2S)	0.002063991	0.652611624 Hartree
261	H27 Val(1S)	0.676104782	0.101372883 Hartree
262	H27 Ryd(2S)	0.001830306	0.642613139 Hartree
263	C28 Cor(1S)	1.999299169	-10.216420484 Hartree
264	C28 Val(2S)	0.771656429	-0.175728846 Hartree
265	C28 Ryd(3S)	0.007536173	1.179588395 Hartree
266	C28 Ryd(4S)	0.000501963	3.650519522 Hartree
267	C28 Val(2p)	0.799276787	-0.089358542 Hartree
268	C28 Ryd(3p)	0.008542219	0.665819793 Hartree
269	C28 Val(2p)	0.706046386	-0.011944905 Hartree
270	C28 Ryd(3p)	0.011698790	0.724344273 Hartree
271	C28 Val(2p)	0.837711731	-0.072714199 Hartree
272	C28 Ryd(3p)	0.010309269	0.670391805 Hartree
273	C28 Ryd(3d)	0.002018199	2.336539994 Hartree
274	C28 Ryd(3d)	0.001070891	2.400416174 Hartree
275	C28 Ryd(3d)	0.002015935	2.359728995 Hartree
276	C28 Ryd(3d)	0.002907476	2.392218767 Hartree
277	C28 Ryd(3d)	0.001935429	2.256960095 Hartree
278	O29 Cor(1S)	1.999731044	-18.987418356 Hartree
279	O29 Val(2S)	1.618358421	-0.900601724 Hartree
280	O29 Ryd(3S)	0.001342147	2.201143582 Hartree
281	O29 Ryd(4S)	0.000071666	3.775362531 Hartree
282	O29 Val(2p)	1.685054885	-0.328862819 Hartree
283	O29 Ryd(3p)	0.001614710	1.206614608 Hartree
284	O29 Val(2p)	1.495717042	-0.335395867 Hartree
285	O29 Ryd(3p)	0.001146172	1.352681612 Hartree
286	O29 Val(2p)	1.714257208	-0.338148551 Hartree
287	O29 Ryd(3p)	0.002030342	1.199494929 Hartree
288	O29 Ryd(3d)	0.001057928	2.186298782 Hartree
289	O29 Ryd(3d)	0.001423505	2.284915347 Hartree
290	O29 Ryd(3d)	0.001263365	2.270943744 Hartree
291	O29 Ryd(3d)	0.000792910	2.409760437 Hartree
292	O29 Ryd(3d)	0.001665955	2.185234149 Hartree
293	O30 Cor(1S)	1.999784864	-18.876575831 Hartree
294	O30 Val(2S)	1.698982116	-0.895155695 Hartree
295	O30 Ryd(3S)	0.001373880	1.991556382 Hartree
296	O30 Ryd(4S)	0.000072274	3.538125860 Hartree
297	O30 Val(2p)	1.500736473	-0.267120662 Hartree
298	O30 Ryd(3p)	0.000589933	1.160387743 Hartree
299	O30 Val(2p)	1.708023236	-0.276197389 Hartree
300	O30 Ryd(3p)	0.001294626	1.193264190 Hartree
301	O30 Val(2p)	1.619689158	-0.265918347 Hartree
302	O30 Ryd(3p)	0.000857161	1.182637759 Hartree
303	O30 Ryd(3d)	0.003368335	2.131415885 Hartree
304	O30 Ryd(3d)	0.002823074	2.077023135 Hartree
305	O30 Ryd(3d)	0.003212514	2.075985822 Hartree
306	O30 Ryd(3d)	0.003503278	1.919969686 Hartree
307	O30 Ryd(3d)	0.003142602	1.902910426 Hartree
308	H31 Val(1S)	0.740457392	0.071507117 Hartree
309	H31 Ryd(2S)	0.000622115	0.542154851 Hartree
310	H32 Val(1S)	0.745380411	0.069768202 Hartree
311	H32 Ryd(2S)	0.000731385	0.545555309 Hartree
312	H33 Val(1S)	0.698252529	0.086977108 Hartree
313	H33 Ryd(2S)	0.001563782	0.609191753 Hartree

Natural Hybrid Orbitals

Display Range		- / 313
Orbital	Description	Occupancy	Energy	Actions
1	BD(1)C1(C2) 1s(26.47%)p2.78(73.48%)d0.00(0.06%)	1.018832295	-0.141559789 Hartree
2	BD(1)C2(C1) 2s(30.60%)p2.27(69.35%)d0.00(0.05%)	0.975413315	-0.120968329 Hartree
3	BD(1)C1(C6) 1s(26.31%)p2.80(73.63%)d0.00(0.06%)	0.968128618	-0.138672956 Hartree
4	BD(1)C6(C1) 6s(29.08%)p2.44(70.89%)d0.00(0.03%)	1.026303515	-0.147358577 Hartree
5	BD(1)C1(O29) 1s(19.32%)p4.16(80.41%)d0.01(0.26%)	0.660067699	-0.096222490 Hartree
6	BD(1)O29(C1) 29s(29.00%)p2.45(70.92%)d0.00(0.08%)	1.357268156	-0.482826903 Hartree
7	BD(1)C1(H33) 1s(27.73%)p2.60(72.22%)d0.00(0.05%)	1.297484641	-0.196356684 Hartree
8	BD(1)H33(C1) 33s(100.00%)	0.698240425	0.089333016 Hartree
9	BD(1)C2(C3) 2s(37.06%)p1.70(62.89%)d0.00(0.04%)	0.997279785	-0.056358014 Hartree
10	BD(1)C3(C2) 3s(36.76%)p1.72(63.19%)d0.00(0.04%)	1.000136527	-0.058608201 Hartree
11	BD(2)C2(C3) 2s(0.11%)p99.99(99.81%)d0.62(0.07%)	1.012007225	-0.129372158 Hartree
12	BD(2)C3(C2) 3s(0.11%)p99.99(99.81%)d0.69(0.08%)	0.985103291	-0.130467675 Hartree
13	BD(1)C2(H32) 2s(32.11%)p2.11(67.84%)d0.00(0.04%)	1.251249906	-0.179257703 Hartree
14	BD(1)H32(C2) 32s(100.00%)	0.745376670	0.070963689 Hartree
15	BD(1)C3(C4) 3s(30.85%)p2.24(69.10%)d0.00(0.05%)	0.945036353	-0.110495175 Hartree
16	BD(1)C4(C3) 4s(25.10%)p2.98(74.86%)d0.00(0.05%)	1.026298840	-0.137418351 Hartree
17	BD(1)C3(H31) 3s(32.16%)p2.11(67.80%)d0.00(0.05%)	1.255605675	-0.182870216 Hartree
18	BD(1)H31(C3) 31s(100.00%)	0.740454135	0.072625859 Hartree
19	BD(1)C4(C5) 4s(24.90%)p3.01(75.05%)d0.00(0.05%)	0.975116327	-0.134193467 Hartree
20	BD(1)C5(C4) 5s(29.22%)p2.42(70.75%)d0.00(0.03%)	0.997704039	-0.137168798 Hartree
21	BD(1)C4(H27) 4s(26.56%)p2.76(73.40%)d0.00(0.04%)	1.314776098	-0.189701773 Hartree
22	BD(1)H27(C4) 27s(100.00%)	0.676091744	0.103894169 Hartree
23	BD(1)C4(C28) 4s(23.29%)p3.29(76.65%)d0.00(0.06%)	1.082305371	-0.169642286 Hartree
24	BD(1)C28(C4) 28s(37.28%)p1.68(62.65%)d0.00(0.06%)	0.959084894	-0.135166381 Hartree
25	BD(1)C5(C6) 5s(35.37%)p1.83(64.60%)d0.00(0.03%)	1.002929479	-0.076024880 Hartree
26	BD(1)C6(C5) 6s(35.54%)p1.81(64.43%)d0.00(0.03%)	1.000267387	-0.073623913 Hartree
27	BD(2)C5(C6) 5s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.961006327	-0.143070850 Hartree
28	BD(2)C6(C5) 6s(0.00%)p1.00(99.95%)d0.00(0.04%)	0.979528225	-0.141967586 Hartree
29	BD(1)C5(C17) 5s(35.34%)p1.83(64.61%)d0.00(0.05%)	1.054288591	-0.141010869 Hartree
30	BD(1)C17(C5) 17s(41.85%)p1.39(58.10%)d0.00(0.05%)	0.966749940	-0.080987723 Hartree
31	BD(1)C6(C7) 6s(35.30%)p1.83(64.64%)d0.00(0.05%)	1.052858902	-0.138322246 Hartree
32	BD(1)C7(C6) 7s(41.89%)p1.39(58.05%)d0.00(0.05%)	0.968246572	-0.080333476 Hartree
33	BD(1)C7(O8) 7s(29.87%)p2.34(70.02%)d0.00(0.11%)	0.704596779	0.021584652 Hartree
34	BD(1)O8(C7) 8s(41.43%)p1.41(58.23%)d0.01(0.35%)	1.311136072	-0.498305368 Hartree
35	BD(2)C7(O8) 7s(0.01%)p1.00(99.81%)d0.00(0.19%)	0.818386708	-0.135724066 Hartree
36	BD(2)O8(C7) 8s(0.00%)p1.00(99.67%)d0.00(0.33%)	1.420572197	-0.253549678 Hartree
37	BD(1)C7(O9) 7s(28.16%)p2.54(71.63%)d0.01(0.21%)	0.711587408	-0.065550576 Hartree
38	BD(1)O9(C7) 9s(32.21%)p2.10(67.73%)d0.00(0.06%)	1.381544697	-0.491047162 Hartree
39	BD(1)O9(C10) 9s(32.56%)p2.07(67.38%)d0.00(0.06%)	1.389809456	-0.494642088 Hartree
40	BD(1)C10(O9) 10s(19.95%)p4.00(79.76%)d0.01(0.29%)	0.627149842	-0.063657494 Hartree
41	BD(1)C10(C11) 10s(29.43%)p2.40(70.53%)d0.00(0.05%)	1.003320671	-0.125444259 Hartree
42	BD(1)C11(C10) 11s(27.88%)p2.59(72.08%)d0.00(0.05%)	1.003324761	-0.122482276 Hartree
43	BD(1)C10(H15) 10s(24.74%)p3.04(75.19%)d0.00(0.08%)	1.230048375	-0.155548797 Hartree
44	BD(1)H15(C10) 15s(100.00%)	0.767763050	0.060447615 Hartree
45	BD(1)C10(H16) 10s(25.97%)p2.85(73.96%)d0.00(0.07%)	1.246173475	-0.162280760 Hartree
46	BD(1)H16(C10) 16s(100.00%)	0.765157612	0.067840988 Hartree
47	BD(1)C11(H12) 11s(23.77%)p3.20(76.16%)d0.00(0.06%)	1.230327020	-0.144166505 Hartree
48	BD(1)H12(C11) 12s(100.00%)	0.759270789	0.063050557 Hartree
49	BD(1)C11(H13) 11s(24.43%)p3.09(75.51%)d0.00(0.06%)	1.244627158	-0.145744455 Hartree
50	BD(1)H13(C11) 13s(100.00%)	0.754361192	0.075851786 Hartree
51	BD(1)C11(H14) 11s(23.93%)p3.18(76.01%)d0.00(0.06%)	1.232319396	-0.144553891 Hartree
52	BD(1)H14(C11) 14s(100.00%)	0.764824965	0.065328498 Hartree
53	BD(1)C17(O18) 17s(29.87%)p2.34(70.02%)d0.00(0.11%)	0.704686892	0.022984276 Hartree
54	BD(1)O18(C17) 18s(41.26%)p1.42(58.39%)d0.01(0.35%)	1.309861513	-0.496174042 Hartree
55	BD(2)C17(O18) 17s(0.01%)p1.00(99.81%)d0.00(0.18%)	0.822873318	-0.136122666 Hartree
56	BD(2)O18(C17) 18s(0.00%)p1.00(99.67%)d0.00(0.33%)	1.409219243	-0.251891291 Hartree
57	BD(1)C17(O19) 17s(28.21%)p2.54(71.58%)d0.01(0.21%)	0.709166742	-0.064336935 Hartree
58	BD(1)O19(C17) 19s(31.93%)p2.13(68.01%)d0.00(0.06%)	1.381056442	-0.489667120 Hartree
59	BD(1)O19(C20) 19s(31.87%)p2.14(68.07%)d0.00(0.06%)	1.388972795	-0.491818443 Hartree
60	BD(1)C20(O19) 20s(20.05%)p3.97(79.66%)d0.01(0.28%)	0.627754683	-0.064366201 Hartree
61	BD(1)C20(C21) 20s(28.78%)p2.47(71.17%)d0.00(0.05%)	1.004099120	-0.121253755 Hartree
62	BD(1)C21(C20) 21s(28.16%)p2.55(71.79%)d0.00(0.05%)	0.996426602	-0.121091982 Hartree
63	BD(1)C20(H25) 20s(25.71%)p2.89(74.21%)d0.00(0.07%)	1.234883660	-0.160038689 Hartree
64	BD(1)H25(C20) 25s(100.00%)	0.773020612	0.061111286 Hartree
65	BD(1)C20(H26) 20s(25.63%)p2.90(74.30%)d0.00(0.07%)	1.237918392	-0.160729926 Hartree
66	BD(1)H26(C20) 26s(100.00%)	0.769752156	0.062310099 Hartree
67	BD(1)C21(H22) 21s(23.98%)p3.17(75.96%)d0.00(0.06%)	1.231421175	-0.147796663 Hartree
68	BD(1)H22(C21) 22s(100.00%)	0.757004029	0.060231886 Hartree
69	BD(1)C21(H23) 21s(23.97%)p3.17(75.97%)d0.00(0.06%)	1.237926237	-0.147750709 Hartree
70	BD(1)H23(C21) 23s(100.00%)	0.760307801	0.067279530 Hartree
71	BD(1)C21(H24) 21s(23.91%)p3.18(76.03%)d0.00(0.06%)	1.233462836	-0.147168084 Hartree
72	BD(1)H24(C21) 24s(100.00%)	0.765189674	0.063924482 Hartree
73	BD(1)C28(O29) 28s(27.41%)p2.64(72.31%)d0.01(0.28%)	0.691603241	-0.060613052 Hartree
74	BD(1)O29(C28) 29s(30.34%)p2.29(69.58%)d0.00(0.07%)	1.409431354	-0.506403785 Hartree
75	BD(1)C28(O30) 28s(35.17%)p1.84(64.74%)d0.00(0.10%)	0.694511103	0.020348649 Hartree
76	BD(1)O30(C28) 30s(41.74%)p1.39(57.88%)d0.01(0.38%)	1.315976560	-0.513907658 Hartree
77	BD(2)C28(O30) 28s(0.01%)p1.00(99.81%)d0.00(0.18%)	0.778204352	-0.134420136 Hartree
78	BD(2)O30(C28) 30s(0.00%)p1.00(99.65%)d0.00(0.34%)	1.420947427	-0.245118424 Hartree
79	CR(1)C1 s(100.00%)p0.00(0.00%)	1.999047347	-10.153499843 Hartree
80	CR(1)C2 s(100.00%)p0.00(0.00%)	1.998946441	-10.068186111 Hartree
81	CR(1)C3 s(100.00%)p0.00(0.00%)	1.998940093	-10.074002994 Hartree
82	CR(1)C4 s(100.00%)p0.00(0.00%)	1.999031354	-10.091058620 Hartree
83	CR(1)C5 s(100.00%)	1.998793603	-10.087311631 Hartree
84	CR(1)C6 s(100.00%)p0.00(0.00%)	1.998782880	-10.082010974 Hartree
85	CR(1)C7 s(100.00%)p0.00(0.00%)	1.998894269	-10.189693350 Hartree
86	CR(1)O8 s(100.00%)p0.00(0.00%)	1.999795523	-18.876897208 Hartree
87	CR(1)O9 s(100.00%)	1.999718707	-18.985526673 Hartree
88	CR(1)C10 s(100.00%)p0.00(0.00%)	1.999271556	-10.139166430 Hartree
89	CR(1)C11 s(100.00%)p0.00(0.00%)	1.999451636	-10.069537270 Hartree
90	CR(1)C17 s(100.00%)p0.00(0.00%)	1.998888684	-10.189449029 Hartree
91	CR(1)O18 s(100.00%)p0.00(0.00%)	1.999800112	-18.876569653 Hartree
92	CR(1)O19 s(100.00%)	1.999712534	-18.985894909 Hartree
93	CR(1)C20 s(100.00%)	1.999281885	-10.138487084 Hartree
94	CR(1)C21 s(100.00%)p0.00(0.00%)	1.999450225	-10.073253711 Hartree
95	CR(1)C28 s(100.00%)p0.00(0.00%)	1.999310460	-10.216393168 Hartree
96	CR(1)O29 s(100.00%)	1.999730902	-18.988338165 Hartree
97	CR(1)O30 s(100.00%)p0.00(0.00%)	1.999782673	-18.878062899 Hartree
98	LP(1)O8 s(58.53%)p0.71(41.42%)d0.00(0.05%)	1.977426788	-0.696738036 Hartree
99	LP(2)O8 s(0.01%)p1.00(99.75%)d0.00(0.24%)	1.872601780	-0.267639855 Hartree
100	LP(1)O9 s(34.93%)p1.86(64.99%)d0.00(0.07%)	1.959394049	-0.531135667 Hartree
101	LP(2)O9 s(0.27%)p99.99(99.64%)d0.35(0.09%)	1.790151903	-0.320924078 Hartree
102	LP(1)O18 s(58.70%)p0.70(41.25%)d0.00(0.05%)	1.977890777	-0.696496416 Hartree
103	LP(2)O18 s(0.00%)p1.00(99.76%)d0.00(0.24%)	1.873845828	-0.266199751 Hartree
104	LP(1)O19 s(36.10%)p1.77(63.83%)d0.00(0.07%)	1.961068066	-0.540220610 Hartree
105	LP(2)O19 s(0.07%)p99.99(99.83%)d1.26(0.09%)	1.789019803	-0.320795559 Hartree
106	LP(1)O29 s(40.61%)p1.46(59.32%)d0.00(0.06%)	1.952019977	-0.581750805 Hartree
107	LP(2)O29 s(0.01%)p1.00(99.88%)d0.00(0.12%)	1.800652810	-0.329605549 Hartree
108	LP(1)O30 s(58.18%)p0.72(41.77%)d0.00(0.05%)	1.974389708	-0.687236336 Hartree
109	LP(2)O30 s(0.04%)p99.99(99.69%)d6.57(0.27%)	1.832548143	-0.257220342 Hartree
110	RY*(1)C1 s(0.09%)p99.99(95.21%)d52.02(4.70%)	0.005193180	0.915900599 Hartree
111	RY*(2)C1 s(2.45%)p38.24(93.61%)d1.61(3.94%)	0.004785425	1.031402854 Hartree
112	RY*(3)C1 s(0.90%)p94.43(84.77%)d15.96(14.33%)	0.002569343	0.934273106 Hartree
113	RY*(4)C1 s(0.01%)p99.99(8.54%)d99.99(91.45%)	0.001285356	2.007027045 Hartree
114	RY*(5)C1 s(0.64%)p6.15(3.93%)d99.99(95.43%)	0.001248156	1.994075116 Hartree
115	RY*(6)C1 s(83.10%)p0.04(3.50%)d0.16(13.40%)	0.000770991	1.797437066 Hartree
116	RY*(7)C1 s(12.77%)p0.16(1.98%)d6.67(85.25%)	0.000463851	2.139631261 Hartree
117	RY*(8)C1 s(0.23%)p1.62(0.37%)d99.99(99.40%)	0.000173568	2.222992278 Hartree
118	RY*(9)C1 s(5.36%)p1.42(7.62%)d16.22(87.02%)	0.000093858	2.175723615 Hartree
119	RY*(10)C1 s(94.62%)p0.01(0.73%)d0.05(4.65%)	0.000031403	4.260689885 Hartree
120	RY*(1)C2 s(0.41%)p99.99(87.05%)d30.81(12.54%)	0.002941399	1.247212955 Hartree
121	RY*(2)C2 s(4.70%)p19.87(93.43%)d0.40(1.86%)	0.002259080	0.695335831 Hartree
122	RY*(3)C2 s(0.23%)p99.99(88.31%)d50.88(11.46%)	0.001617477	0.755191128 Hartree
123	RY*(4)C2 s(90.45%)p0.04(3.36%)d0.07(6.18%)	0.000794993	1.128164501 Hartree
124	RY*(5)C2 s(1.75%)p6.36(11.15%)d49.66(87.10%)	0.000126231	1.881168757 Hartree
125	RY*(6)C2 s(2.70%)p0.82(2.22%)d35.18(95.08%)	0.000078917	2.335692384 Hartree
126	RY*(7)C2 s(6.19%)p1.42(8.79%)d13.73(85.02%)	0.000039138	2.150345674 Hartree
127	RY*(8)C2 s(13.39%)p0.14(1.84%)d6.33(84.76%)	0.000031823	2.478468399 Hartree
128	RY*(9)C2 s(79.85%)p0.01(0.89%)d0.24(19.26%)	0.000015924	3.737096611 Hartree
129	RY*(10)C2 s(0.43%)p7.18(3.05%)d99.99(96.52%)	0.000020888	1.958620171 Hartree
130	RY*(1)C3 s(1.40%)p62.19(86.88%)d8.39(11.72%)	0.003494089	1.271790418 Hartree
131	RY*(2)C3 s(7.41%)p12.38(91.75%)d0.11(0.84%)	0.002556214	0.664918521 Hartree
132	RY*(3)C3 s(1.10%)p72.81(80.29%)d16.88(18.61%)	0.001916131	0.858055524 Hartree
133	RY*(4)C3 s(85.88%)p0.09(7.35%)d0.08(6.77%)	0.000602063	1.167369918 Hartree
134	RY*(5)C3 s(4.32%)p0.77(3.31%)d21.40(92.37%)	0.000122399	2.314824683 Hartree
135	RY*(6)C3 s(3.92%)p3.26(12.79%)d21.26(83.30%)	0.000051114	1.883895894 Hartree
136	RY*(7)C3 s(0.35%)p18.96(6.69%)d99.99(92.96%)	0.000029024	2.147486007 Hartree
137	RY*(8)C3 s(9.43%)p0.53(4.99%)d9.08(85.58%)	0.000034316	2.293632688 Hartree
138	RY*(9)C3 s(0.47%)p10.45(4.89%)d99.99(94.64%)	0.000018239	1.998486427 Hartree
139	RY*(10)C3 s(85.84%)p0.01(1.15%)d0.15(13.00%)	0.000014427	3.849737796 Hartree
140	RY*(1)C4 s(1.61%)p58.93(94.96%)d2.13(3.43%)	0.004969419	1.242912757 Hartree
141	RY*(2)C4 s(1.54%)p61.26(94.21%)d2.76(4.25%)	0.002348008	0.826789495 Hartree
142	RY*(3)C4 s(0.15%)p99.99(98.19%)d10.93(1.66%)	0.002114402	0.803651815 Hartree
143	RY*(4)C4 s(91.98%)p0.03(3.07%)d0.05(4.95%)	0.000650439	1.881156405 Hartree
144	RY*(5)C4 s(0.71%)p0.64(0.45%)d99.99(98.84%)	0.000585338	2.173602322 Hartree
145	RY*(6)C4 s(0.31%)p3.39(1.05%)d99.99(98.64%)	0.000430961	2.066699935 Hartree
146	RY*(7)C4 s(0.55%)p2.13(1.18%)d99.99(98.27%)	0.000169380	2.232331596 Hartree
147	RY*(8)C4 s(2.79%)p0.71(1.97%)d34.12(95.24%)	0.000141329	2.264707203 Hartree
148	RY*(9)C4 s(2.04%)p2.28(4.66%)d45.71(93.30%)	0.000066760	2.139875808 Hartree
149	RY*(10)C4 s(98.48%)p0.00(0.29%)d0.01(1.23%)	0.000036335	4.291498245 Hartree
150	RY*(1)C5 s(0.45%)p99.99(97.52%)d4.53(2.03%)	0.006400253	1.218798251 Hartree
151	RY*(2)C5 s(2.28%)p41.60(94.72%)d1.32(3.00%)	0.004601956	1.415351097 Hartree
152	RY*(3)C5 s(6.95%)p11.46(79.56%)d1.94(13.49%)	0.002466396	0.913244943 Hartree
153	RY*(4)C5 s(87.01%)p0.09(7.88%)d0.06(5.11%)	0.001602994	1.217244550 Hartree
154	RY*(5)C5 s(0.17%)p0.28(0.05%)d99.99(99.78%)	0.000479517	2.053324224 Hartree
155	RY*(6)C5 s(3.17%)p0.51(1.61%)d30.04(95.22%)	0.000345181	2.508286182 Hartree
156	RY*(7)C5 s(0.58%)p6.94(4.05%)d99.99(95.36%)	0.000207863	2.452427477 Hartree
157	RY*(8)C5 s(0.12%)p99.99(14.48%)d99.99(85.40%)	0.000205499	1.790519305 Hartree
158	RY*(9)C5 s(90.24%)p0.00(0.07%)d0.11(9.69%)	0.000072049	4.063183403 Hartree
159	RY*(10)C5 s(9.12%)p0.01(0.13%)d9.95(90.75%)	0.000033558	2.376213902 Hartree
160	RY*(1)C6 s(0.17%)p99.99(98.55%)d7.52(1.28%)	0.006262311	1.160425653 Hartree
161	RY*(2)C6 s(0.33%)p99.99(96.01%)d11.06(3.66%)	0.004316603	1.446092525 Hartree
162	RY*(3)C6 s(5.37%)p16.49(88.55%)d1.13(6.08%)	0.002544395	0.826218495 Hartree
163	RY*(4)C6 s(90.50%)p0.06(5.06%)d0.05(4.43%)	0.001790763	1.191956177 Hartree
164	RY*(5)C6 s(0.24%)p1.32(0.32%)d99.99(99.44%)	0.000474224	2.066520927 Hartree
165	RY*(6)C6 s(1.63%)p3.69(6.02%)d56.61(92.35%)	0.000327237	2.044611873 Hartree
166	RY*(7)C6 s(3.93%)p0.38(1.50%)d24.08(94.58%)	0.000251162	2.297792374 Hartree
167	RY*(8)C6 s(0.13%)p31.01(3.91%)d99.99(95.96%)	0.000211431	2.477134056 Hartree
168	RY*(9)C6 s(84.97%)p0.00(0.05%)d0.18(14.98%)	0.000077097	3.943600338 Hartree
169	RY*(10)C6 s(12.80%)p0.01(0.12%)d6.80(87.07%)	0.000037547	2.444699189 Hartree
170	RY*(1)C7 s(4.37%)p21.88(95.53%)d0.02(0.11%)	0.018439939	0.874605004 Hartree
171	RY*(2)C7 s(6.90%)p9.90(68.31%)d3.59(24.79%)	0.006503105	1.286799946 Hartree
172	RY*(3)C7 s(4.27%)p2.22(9.49%)d20.22(86.25%)	0.003307623	2.180522955 Hartree
173	RY*(4)C7 s(2.09%)p5.02(10.50%)d41.78(87.40%)	0.003129570	2.208514625 Hartree
174	RY*(5)C7 s(2.57%)p23.02(59.09%)d14.94(38.34%)	0.002191420	1.198251743 Hartree
175	RY*(6)C7 s(54.14%)p0.38(20.73%)d0.46(25.13%)	0.001402336	2.144584847 Hartree
176	RY*(7)C7 s(29.62%)p0.04(1.15%)d2.34(69.22%)	0.000927028	2.762607153 Hartree
177	RY*(8)C7 s(0.10%)p99.99(35.25%)d99.99(64.65%)	0.000464570	1.572357165 Hartree
178	RY*(9)C7 s(91.84%)p0.00(0.28%)d0.09(7.88%)	0.000243922	2.366143143 Hartree
179	RY*(10)C7 s(4.16%)p0.04(0.16%)d22.99(95.68%)	0.000025403	2.364122445 Hartree
180	RY*(1)O8 s(3.63%)p26.42(95.99%)d0.10(0.37%)	0.001525373	1.336977304 Hartree
181	RY*(2)O8 s(0.04%)p99.99(99.42%)d13.89(0.54%)	0.000864322	1.046928993 Hartree
182	RY*(3)O8 s(70.55%)p0.19(13.41%)d0.23(16.04%)	0.000254227	2.117383527 Hartree
183	RY*(4)O8 s(19.30%)p2.83(54.58%)d1.35(26.12%)	0.000207689	1.462366697 Hartree
184	RY*(5)O8 s(13.97%)p0.95(13.22%)d5.21(72.82%)	0.000137753	2.087817833 Hartree
185	RY*(6)O8 s(70.57%)p0.05(3.20%)d0.37(26.23%)	0.000104542	2.634327071 Hartree
186	RY*(7)O8 s(3.21%)p0.16(0.50%)d30.01(96.29%)	0.000058963	1.847559571 Hartree
187	RY*(8)O8 s(10.06%)p1.65(16.59%)d7.29(73.35%)	0.000012230	2.582227560 Hartree
188	RY*(9)O8 s(8.68%)p0.41(3.55%)d10.11(87.77%)	0.000015187	2.370723761 Hartree
189	RY*(10)O8 s(0.02%)p19.10(0.47%)d99.99(99.51%)	0.000001477	1.864106906 Hartree
190	RY*(1)O9 s(27.92%)p2.47(69.09%)d0.11(2.99%)	0.003022857	1.304868853 Hartree
191	RY*(2)O9 s(6.23%)p13.92(86.70%)d1.13(7.07%)	0.002039341	1.166021454 Hartree
192	RY*(3)O9 s(8.18%)p8.78(71.87%)d2.44(19.95%)	0.000812433	1.843859003 Hartree
193	RY*(4)O9 s(61.20%)p0.57(34.79%)d0.07(4.01%)	0.000523082	1.883489127 Hartree
194	RY*(5)O9 s(1.14%)p5.40(6.17%)d81.11(92.69%)	0.000150125	2.073437553 Hartree
195	RY*(6)O9 s(14.61%)p0.71(10.37%)d5.14(75.02%)	0.000118144	2.302588007 Hartree
196	RY*(7)O9 s(4.33%)p0.62(2.69%)d21.46(92.98%)	0.000086835	2.523152710 Hartree
197	RY*(8)O9 s(76.13%)p0.17(12.99%)d0.14(10.88%)	0.000044417	3.673232682 Hartree
198	RY*(9)O9 s(0.12%)p26.96(3.20%)d99.99(96.68%)	0.000027072	1.939035357 Hartree
199	RY*(10)O9 s(0.17%)p14.04(2.36%)d99.99(97.47%)	0.000025151	2.274097585 Hartree
200	RY*(1)C10 s(6.00%)p14.03(84.24%)d1.62(9.76%)	0.004525081	1.033027865 Hartree
201	RY*(2)C10 s(3.95%)p22.67(89.54%)d1.65(6.51%)	0.003338894	0.730848834 Hartree
202	RY*(3)C10 s(17.09%)p0.45(7.67%)d4.40(75.24%)	0.001630067	1.793269259 Hartree
203	RY*(4)C10 s(5.49%)p12.36(67.86%)d4.85(26.65%)	0.000692736	1.051805827 Hartree
204	RY*(5)C10 s(1.96%)p7.03(13.79%)d42.92(84.25%)	0.000649410	1.880605733 Hartree
205	RY*(6)C10 s(5.00%)p1.71(8.56%)d17.29(86.44%)	0.000335805	1.985518510 Hartree
206	RY*(7)C10 s(10.08%)p1.37(13.78%)d7.56(76.14%)	0.000200924	1.960333910 Hartree
207	RY*(8)C10 s(50.74%)p0.18(9.20%)d0.79(40.06%)	0.000180007	1.596326989 Hartree
208	RY*(9)C10 s(5.70%)p0.66(3.77%)d15.89(90.54%)	0.000017200	1.924670813 Hartree
209	RY*(10)C10 s(93.90%)p0.02(2.16%)d0.04(3.93%)	0.000009581	4.082247556 Hartree
210	RY*(1)C11 s(0.75%)p99.99(81.29%)d24.03(17.96%)	0.001525864	0.930862815 Hartree
211	RY*(2)C11 s(1.33%)p68.08(90.34%)d6.28(8.34%)	0.001104248	0.804294547 Hartree
212	RY*(3)C11 s(17.58%)p4.67(82.02%)d0.02(0.40%)	0.000608659	0.666440291 Hartree
213	RY*(4)C11 s(71.93%)p0.28(20.20%)d0.11(7.88%)	0.000171157	1.259625064 Hartree
214	RY*(5)C11 s(7.56%)p0.88(6.67%)d11.35(85.78%)	0.000122278	1.965903871 Hartree
215	RY*(6)C11 s(2.27%)p6.34(14.37%)d36.78(83.37%)	0.000025627	1.776854132 Hartree
216	RY*(7)C11 s(0.10%)p9.93(0.96%)d99.99(98.94%)	0.000003580	1.964492675 Hartree
217	RY*(8)C11 s(97.87%)p0.01(1.04%)d0.01(1.09%)	0.000001237	4.027322252 Hartree
218	RY*(9)C11 s(0.20%)p4.36(0.88%)d99.99(98.91%)	0.000001336	1.963959066 Hartree
219	RY*(10)C11 s(0.40%)p6.16(2.49%)d99.99(97.11%)	0.000003691	2.079253101 Hartree
220	RY*(1)H12 s(100.00%)	0.000786971	0.643275337 Hartree
221	RY*(1)H13 s(100.00%)	0.001186195	0.679056269 Hartree
222	RY*(1)H14 s(100.00%)	0.001396432	0.648745387 Hartree
223	RY*(1)H15 s(100.00%)	0.001257976	0.658518043 Hartree
224	RY*(1)H16 s(100.00%)	0.002280265	0.656248331 Hartree
225	RY*(1)C17 s(4.15%)p23.03(95.70%)d0.03(0.14%)	0.017908166	0.878355204 Hartree
226	RY*(2)C17 s(7.61%)p8.40(63.88%)d3.75(28.52%)	0.006235291	1.344573038 Hartree
227	RY*(3)C17 s(1.98%)p2.82(5.57%)d46.80(92.46%)	0.003194297	2.209959950 Hartree
228	RY*(4)C17 s(6.95%)p1.37(9.51%)d12.02(83.54%)	0.003136307	2.240375112 Hartree
229	RY*(5)C17 s(0.02%)p99.99(56.62%)d99.99(43.37%)	0.001890773	1.195566947 Hartree
230	RY*(6)C17 s(61.95%)p0.38(23.74%)d0.23(14.31%)	0.001340919	2.260236530 Hartree
231	RY*(7)C17 s(19.29%)p0.14(2.73%)d4.04(77.98%)	0.000850171	2.623555139 Hartree
232	RY*(8)C17 s(1.14%)p36.40(41.39%)d50.55(57.48%)	0.000358235	1.488848694 Hartree
233	RY*(9)C17 s(93.77%)p0.01(1.28%)d0.05(4.96%)	0.000185106	2.339146217 Hartree
234	RY*(10)C17 s(3.22%)p0.03(0.08%)d30.06(96.70%)	0.000024431	2.360461180 Hartree
235	RY*(1)O18 s(3.07%)p31.46(96.60%)d0.11(0.33%)	0.001512646	1.324103944 Hartree
236	RY*(2)O18 s(0.04%)p99.99(99.76%)d5.58(0.20%)	0.000861966	1.037012267 Hartree
237	RY*(3)O18 s(71.16%)p0.21(14.63%)d0.20(14.21%)	0.000261895	2.023466714 Hartree
238	RY*(4)O18 s(21.43%)p2.45(52.48%)d1.22(26.09%)	0.000198151	1.506013952 Hartree
239	RY*(5)O18 s(10.56%)p1.27(13.37%)d7.20(76.07%)	0.000147743	2.072543973 Hartree
240	RY*(6)O18 s(75.54%)p0.04(3.06%)d0.28(21.39%)	0.000105311	2.742435624 Hartree
241	RY*(7)O18 s(0.03%)p6.67(0.20%)d99.99(99.77%)	0.000051496	1.810748465 Hartree
242	RY*(8)O18 s(0.84%)p0.77(0.64%)d99.99(98.52%)	0.000003915	1.923330155 Hartree
243	RY*(9)O18 s(12.90%)p1.49(19.18%)d5.27(67.92%)	0.000011253	2.817601549 Hartree
244	RY*(10)O18 s(4.47%)p0.22(1.01%)d21.13(94.52%)	0.000009894	2.082043318 Hartree
245	RY*(1)O19 s(36.31%)p1.63(59.25%)d0.12(4.44%)	0.003000204	1.321940419 Hartree
246	RY*(2)O19 s(0.61%)p99.99(93.13%)d10.34(6.26%)	0.002241469	1.120288094 Hartree
247	RY*(3)O19 s(3.76%)p22.49(84.54%)d3.11(11.70%)	0.001030649	1.746780524 Hartree
248	RY*(4)O19 s(63.20%)p0.45(28.55%)d0.13(8.25%)	0.000419427	1.998806555 Hartree
249	RY*(5)O19 s(0.24%)p13.91(3.32%)d99.99(96.44%)	0.000128257	2.013509491 Hartree
250	RY*(6)O19 s(11.82%)p0.89(10.57%)d6.57(77.61%)	0.000137952	2.319575845 Hartree
251	RY*(7)O19 s(8.02%)p0.37(2.96%)d11.10(89.02%)	0.000084196	2.574546138 Hartree
252	RY*(8)O19 s(75.81%)p0.17(12.64%)d0.15(11.55%)	0.000049618	3.694475166 Hartree
253	RY*(9)O19 s(0.06%)p61.27(3.43%)d99.99(96.52%)	0.000022500	1.956643779 Hartree
254	RY*(10)O19 s(0.21%)p8.88(1.85%)d99.99(97.94%)	0.000018730	2.251137258 Hartree
255	RY*(1)C20 s(14.86%)p5.24(77.92%)d0.49(7.22%)	0.004428592	0.918955766 Hartree
256	RY*(2)C20 s(18.54%)p3.86(71.62%)d0.53(9.84%)	0.002178600	0.839172211 Hartree
257	RY*(3)C20 s(0.17%)p99.99(60.60%)d99.99(39.24%)	0.001844173	1.380195382 Hartree
258	RY*(4)C20 s(5.79%)p5.32(30.78%)d10.95(63.43%)	0.001153653	1.506792850 Hartree
259	RY*(5)C20 s(3.83%)p7.11(27.23%)d17.99(68.94%)	0.000982159	1.557712752 Hartree
260	RY*(6)C20 s(2.56%)p1.47(3.75%)d36.66(93.69%)	0.000421814	2.222278051 Hartree
261	RY*(7)C20 s(52.15%)p0.10(5.05%)d0.82(42.79%)	0.000135508	1.708988500 Hartree
262	RY*(8)C20 s(0.02%)p99.99(20.92%)d99.99(79.07%)	0.000052007	1.689429846 Hartree
263	RY*(9)C20 s(96.01%)p0.02(1.79%)d0.02(2.20%)	0.000010682	4.079634912 Hartree
264	RY*(10)C20 s(5.89%)p0.17(1.01%)d15.79(93.10%)	0.000003742	2.071218858 Hartree
265	RY*(1)C21 s(0.94%)p99.99(95.17%)d4.13(3.89%)	0.001974700	0.748595931 Hartree
266	RY*(2)C21 s(0.00%)p1.00(78.24%)d0.28(21.76%)	0.001300648	0.966069967 Hartree
267	RY*(3)C21 s(13.07%)p6.58(86.03%)d0.07(0.89%)	0.000414611	0.639134574 Hartree
268	RY*(4)C21 s(82.12%)p0.14(11.83%)d0.07(6.04%)	0.000173000	1.280468984 Hartree
269	RY*(5)C21 s(0.63%)p6.82(4.28%)d99.99(95.10%)	0.000083145	2.018409953 Hartree
270	RY*(6)C21 s(0.28%)p65.60(18.20%)d99.99(81.52%)	0.000030176	1.814933288 Hartree
271	RY*(7)C21 s(0.78%)p2.74(2.14%)d99.99(97.08%)	0.000003615	1.921356260 Hartree
272	RY*(8)C21 s(97.91%)p0.01(1.36%)d0.01(0.73%)	0.000001956	4.090712066 Hartree
273	RY*(9)C21 s(4.24%)p0.49(2.06%)d22.08(93.70%)	0.000009743	1.963971892 Hartree
274	RY*(10)C21 s(0.00%)p1.00(0.94%)d99.99(99.06%)	0.000001944	1.930438648 Hartree
275	RY*(1)H22 s(100.00%)	0.000676412	0.642151605 Hartree
276	RY*(1)H23 s(100.00%)	0.001267572	0.654829376 Hartree
277	RY*(1)H24 s(100.00%)	0.001284234	0.677320094 Hartree
278	RY*(1)H25 s(100.00%)	0.002054169	0.638991369 Hartree
279	RY*(1)H26 s(100.00%)	0.002084695	0.649699484 Hartree
280	RY*(1)H27 s(100.00%)	0.001843344	0.640091853 Hartree
281	RY*(1)C28 s(17.98%)p4.54(81.70%)d0.02(0.32%)	0.017241560	0.769049542 Hartree
282	RY*(2)C28 s(3.38%)p21.83(73.81%)d6.74(22.80%)	0.011681734	1.117401983 Hartree
283	RY*(3)C28 s(0.66%)p13.15(8.63%)d99.99(90.72%)	0.003274971	2.075741432 Hartree
284	RY*(4)C28 s(24.03%)p0.52(12.51%)d2.64(63.46%)	0.002559290	1.999386707 Hartree
285	RY*(5)C28 s(11.08%)p4.87(53.92%)d3.16(35.01%)	0.002046046	1.273003976 Hartree
286	RY*(6)C28 s(25.25%)p1.62(40.79%)d1.35(33.96%)	0.001804490	1.380380543 Hartree
287	RY*(7)C28 s(31.72%)p0.09(2.85%)d2.06(65.43%)	0.000786026	2.069186706 Hartree
288	RY*(8)C28 s(1.24%)p15.59(19.28%)d64.27(79.48%)	0.000261854	1.798930525 Hartree
289	RY*(9)C28 s(73.67%)p0.09(6.59%)d0.27(19.74%)	0.000126733	3.783984536 Hartree
290	RY*(10)C28 s(11.14%)p0.04(0.39%)d7.94(88.47%)	0.000030092	2.329538976 Hartree
291	RY*(1)O29 s(2.06%)p43.46(89.46%)d4.12(8.48%)	0.002225380	1.165724313 Hartree
292	RY*(2)O29 s(1.21%)p77.47(93.64%)d4.26(5.15%)	0.001990937	1.125890734 Hartree
293	RY*(3)O29 s(92.44%)p0.04(3.86%)d0.04(3.70%)	0.001390696	2.292160269 Hartree
294	RY*(4)O29 s(0.04%)p99.99(76.13%)d99.99(23.83%)	0.000396361	1.847635192 Hartree
295	RY*(5)O29 s(0.06%)p77.10(4.44%)d99.99(95.50%)	0.000207861	2.024421563 Hartree
296	RY*(6)O29 s(32.83%)p0.22(7.18%)d1.83(60.00%)	0.000076856	2.694465660 Hartree
297	RY*(7)O29 s(36.50%)p0.34(12.47%)d1.40(51.02%)	0.000048377	2.792057364 Hartree
298	RY*(8)O29 s(0.79%)p6.29(4.97%)d99.99(94.24%)	0.000034299	2.043718802 Hartree
299	RY*(9)O29 s(21.18%)p0.23(4.94%)d3.49(73.88%)	0.000041682	2.893231569 Hartree
300	RY*(10)O29 s(12.94%)p0.25(3.21%)d6.48(83.86%)	0.000011651	2.191642146 Hartree
301	RY*(1)O30 s(14.83%)p5.68(84.18%)d0.07(0.98%)	0.001735103	1.376642457 Hartree
302	RY*(2)O30 s(68.08%)p0.45(30.67%)d0.02(1.25%)	0.001071008	2.098738744 Hartree
303	RY*(3)O30 s(0.01%)p1.00(97.03%)d0.03(2.96%)	0.000658682	1.104865875 Hartree
304	RY*(4)O30 s(24.81%)p0.07(1.66%)d2.96(73.53%)	0.000181797	2.674351172 Hartree
305	RY*(5)O30 s(22.92%)p2.98(68.32%)d0.38(8.75%)	0.000097237	1.077028527 Hartree
306	RY*(6)O30 s(5.19%)p0.79(4.08%)d17.49(90.73%)	0.000038392	2.005251461 Hartree
307	RY*(7)O30 s(50.22%)p0.19(9.52%)d0.80(40.25%)	0.000006260	3.028947178 Hartree
308	RY*(8)O30 s(10.40%)p0.16(1.67%)d8.45(87.92%)	0.000004269	2.027742652 Hartree
309	RY*(9)O30 s(1.97%)p1.68(3.31%)d48.09(94.73%)	0.000013833	1.854833360 Hartree
310	RY*(10)O30 s(1.60%)p0.34(0.55%)d61.20(97.85%)	0.000002433	1.925453197 Hartree
311	RY*(1)H31 s(100.00%)	0.000625372	0.541036109 Hartree
312	RY*(1)H32 s(100.00%)	0.000735126	0.544359823 Hartree
313	RY*(1)H33 s(100.00%)	0.001575886	0.606835845 Hartree

Natural Bond Orbitals

Display Range		- / 313
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	BD(1)C1-C2	10298, 10299	1.965434263	-0.641968587 Hartree
2	BD(1)C1-C6	10300, 10301	1.954728905	-0.634651441 Hartree
3	BD(1)C1-O29	10302, 10303	1.977485560	-0.846302104 Hartree
4	BD(1)C1-H33	10304, 10305	1.979716659	-0.532972358 Hartree
5	BD(1)C2-C3	10306, 10307	1.984651781	-0.748615445 Hartree
6	BD(2)C2-C3	10308, 10309	1.946696652	-0.291089531 Hartree
7	BD(1)C2-H32	10310, 10311	1.981544426	-0.544205036 Hartree
8	BD(1)C3-C4	10312, 10313	1.949215837	-0.636983032 Hartree
9	BD(1)C3-H31	10314, 10315	1.980895531	-0.546195706 Hartree
10	BD(1)C4-C5	10316, 10317	1.939911376	-0.628483295 Hartree
11	BD(1)C4-H27	10318, 10319	1.977079587	-0.516381388 Hartree
12	BD(1)C4-C28	10320, 10321	1.958244015	-0.650340466 Hartree
13	BD(1)C5-C6	10322, 10323	1.971063934	-0.761523747 Hartree
14	BD(2)C5-C6	10324, 10325	1.781284686	-0.302323706 Hartree
15	BD(1)C5-C17	10326, 10327	1.975531868	-0.783491229 Hartree
16	BD(1)C6-C7	10328, 10329	1.975877060	-0.782726978 Hartree
17	BD(1)C7-O8	10330, 10331	1.994024782	-1.077355664 Hartree
18	BD(2)C7-O8	10332, 10333	1.946134703	-0.387249624 Hartree
19	BD(1)C7-O9	10334, 10335	1.991335504	-0.911998859 Hartree
20	BD(1)O9-C10	10336, 10337	1.989109197	-0.851953661 Hartree
21	BD(1)C10-C11	10338, 10339	1.991573825	-0.614149312 Hartree
22	BD(1)C10-H15	10340, 10341	1.981683456	-0.511617273 Hartree
23	BD(1)C10-H16	10342, 10343	1.987493306	-0.511874660 Hartree
24	BD(1)C11-H12	10344, 10345	1.984477195	-0.498421760 Hartree
25	BD(1)C11-H13	10346, 10347	1.990269257	-0.496479342 Hartree
26	BD(1)C11-H14	10348, 10349	1.989877211	-0.497322209 Hartree
27	BD(1)C17-O18	10350, 10351	1.993846900	-1.075865109 Hartree
28	BD(2)C17-O18	10352, 10353	1.945218504	-0.386815336 Hartree
29	BD(1)C17-O19	10354, 10355	1.991130430	-0.910383320 Hartree
30	BD(1)O19-C20	10356, 10357	1.988892136	-0.847862329 Hartree
31	BD(1)C20-C21	10358, 10359	1.990004772	-0.615118542 Hartree
32	BD(1)C20-H25	10360, 10361	1.985305624	-0.511807481 Hartree
33	BD(1)C20-H26	10362, 10363	1.985357838	-0.511174282 Hartree
34	BD(1)C21-H22	10364, 10365	1.984581897	-0.501738517 Hartree
35	BD(1)C21-H23	10366, 10367	1.990498976	-0.498363517 Hartree
36	BD(1)C21-H24	10368, 10369	1.990611294	-0.499489891 Hartree
37	BD(1)C28-O29	10370, 10371	1.990472155	-0.902578865 Hartree
38	BD(1)C28-O30	10372, 10373	1.995080726	-1.090092999 Hartree
39	BD(2)C28-O30	10374, 10375	1.990205705	-0.382970733 Hartree
40	CR(1)C1	10376	1.999047347	-10.153499843 Hartree
41	CR(1)C2	10377	1.998946441	-10.068186111 Hartree
42	CR(1)C3	10378	1.998940093	-10.074002994 Hartree
43	CR(1)C4	10379	1.999031354	-10.091058620 Hartree
44	CR(1)C5	10380	1.998793603	-10.087311631 Hartree
45	CR(1)C6	10381	1.998782880	-10.082010974 Hartree
46	CR(1)C7	10382	1.998894269	-10.189693350 Hartree
47	CR(1)O8	10383	1.999795523	-18.876897208 Hartree
48	CR(1)O9	10384	1.999718707	-18.985526673 Hartree
49	CR(1)C10	10385	1.999271556	-10.139166430 Hartree
50	CR(1)C11	10386	1.999451636	-10.069537270 Hartree
51	CR(1)C17	10387	1.998888684	-10.189449029 Hartree
52	CR(1)O18	10388	1.999800112	-18.876569653 Hartree
53	CR(1)O19	10389	1.999712534	-18.985894909 Hartree
54	CR(1)C20	10390	1.999281885	-10.138487084 Hartree
55	CR(1)C21	10391	1.999450225	-10.073253711 Hartree
56	CR(1)C28	10392	1.999310460	-10.216393168 Hartree
57	CR(1)O29	10393	1.999730902	-18.988338165 Hartree
58	CR(1)O30	10394	1.999782672	-18.878062889 Hartree
59	LP(1)O8	10395	1.977426788	-0.696738036 Hartree
60	LP(2)O8	10396	1.872601780	-0.267639855 Hartree
61	LP(1)O9	10397	1.959394049	-0.531135667 Hartree
62	LP(2)O9	10398	1.790151903	-0.320924078 Hartree
63	LP(1)O18	10399	1.977890776	-0.696496416 Hartree
64	LP(2)O18	10400	1.873845828	-0.266199751 Hartree
65	LP(1)O19	10401	1.961068066	-0.540220610 Hartree
66	LP(2)O19	10402	1.789019803	-0.320795559 Hartree
67	LP(1)O29	10403	1.952019976	-0.581750804 Hartree
68	LP(2)O29	10404	1.800652810	-0.329605549 Hartree
69	LP(1)O30	10405	1.974389707	-0.687236336 Hartree
70	LP(2)O30	10406	1.832548143	-0.257220342 Hartree
71	RY*(1)C1	10407	0.005193180	0.915900599 Hartree
72	RY*(2)C1	10408	0.004785425	1.031402854 Hartree
73	RY*(3)C1	10409	0.002569343	0.934273106 Hartree
74	RY*(4)C1	10410	0.001285356	2.007027045 Hartree
75	RY*(5)C1	10411	0.001248156	1.994075116 Hartree
76	RY*(6)C1	10412	0.000770991	1.797437066 Hartree
77	RY*(7)C1	10413	0.000463851	2.139631261 Hartree
78	RY*(8)C1	10414	0.000173568	2.222992278 Hartree
79	RY*(9)C1	10415	0.000093858	2.175723615 Hartree
80	RY*(10)C1	10416	0.000031403	4.260689885 Hartree
81	RY*(1)C2	10417	0.002941399	1.247212955 Hartree
82	RY*(2)C2	10418	0.002259080	0.695335831 Hartree
83	RY*(3)C2	10419	0.001617477	0.755191128 Hartree
84	RY*(4)C2	10420	0.000794993	1.128164501 Hartree
85	RY*(5)C2	10421	0.000126231	1.881168757 Hartree
86	RY*(6)C2	10422	0.000078917	2.335692384 Hartree
87	RY*(7)C2	10423	0.000039138	2.150345674 Hartree
88	RY*(8)C2	10424	0.000031823	2.478468399 Hartree
89	RY*(9)C2	10425	0.000015924	3.737096611 Hartree
90	RY*(10)C2	10426	0.000020888	1.958620171 Hartree
91	RY*(1)C3	10427	0.003494089	1.271790418 Hartree
92	RY*(2)C3	10428	0.002556214	0.664918521 Hartree
93	RY*(3)C3	10429	0.001916131	0.858055524 Hartree
94	RY*(4)C3	10430	0.000602063	1.167369918 Hartree
95	RY*(5)C3	10431	0.000122399	2.314824683 Hartree
96	RY*(6)C3	10432	0.000051114	1.883895894 Hartree
97	RY*(7)C3	10433	0.000029024	2.147486007 Hartree
98	RY*(8)C3	10434	0.000034316	2.293632688 Hartree
99	RY*(9)C3	10435	0.000018239	1.998486427 Hartree
100	RY*(10)C3	10436	0.000014427	3.849737796 Hartree
101	RY*(1)C4	10437	0.004969419	1.242912757 Hartree
102	RY*(2)C4	10438	0.002348008	0.826789495 Hartree
103	RY*(3)C4	10439	0.002114402	0.803651815 Hartree
104	RY*(4)C4	10440	0.000650439	1.881156405 Hartree
105	RY*(5)C4	10441	0.000585338	2.173602322 Hartree
106	RY*(6)C4	10442	0.000430961	2.066699935 Hartree
107	RY*(7)C4	10443	0.000169380	2.232331596 Hartree
108	RY*(8)C4	10444	0.000141329	2.264707203 Hartree
109	RY*(9)C4	10445	0.000066760	2.139875808 Hartree
110	RY*(10)C4	10446	0.000036335	4.291498245 Hartree
111	RY*(1)C5	10447	0.006400253	1.218798251 Hartree
112	RY*(2)C5	10448	0.004601956	1.415351097 Hartree
113	RY*(3)C5	10449	0.002466396	0.913244943 Hartree
114	RY*(4)C5	10450	0.001602994	1.217244550 Hartree
115	RY*(5)C5	10451	0.000479517	2.053324224 Hartree
116	RY*(6)C5	10452	0.000345181	2.508286182 Hartree
117	RY*(7)C5	10453	0.000207863	2.452427477 Hartree
118	RY*(8)C5	10454	0.000205499	1.790519305 Hartree
119	RY*(9)C5	10455	0.000072049	4.063183403 Hartree
120	RY*(10)C5	10456	0.000033558	2.376213902 Hartree
121	RY*(1)C6	10457	0.006262311	1.160425653 Hartree
122	RY*(2)C6	10458	0.004316603	1.446092525 Hartree
123	RY*(3)C6	10459	0.002544395	0.826218495 Hartree
124	RY*(4)C6	10460	0.001790763	1.191956177 Hartree
125	RY*(5)C6	10461	0.000474224	2.066520927 Hartree
126	RY*(6)C6	10462	0.000327237	2.044611873 Hartree
127	RY*(7)C6	10463	0.000251162	2.297792374 Hartree
128	RY*(8)C6	10464	0.000211431	2.477134056 Hartree
129	RY*(9)C6	10465	0.000077097	3.943600338 Hartree
130	RY*(10)C6	10466	0.000037547	2.444699189 Hartree
131	RY*(1)C7	10467	0.018439939	0.874605004 Hartree
132	RY*(2)C7	10468	0.006503105	1.286799946 Hartree
133	RY*(3)C7	10469	0.003307623	2.180522955 Hartree
134	RY*(4)C7	10470	0.003129570	2.208514625 Hartree
135	RY*(5)C7	10471	0.002191420	1.198251743 Hartree
136	RY*(6)C7	10472	0.001402336	2.144584847 Hartree
137	RY*(7)C7	10473	0.000927028	2.762607153 Hartree
138	RY*(8)C7	10474	0.000464570	1.572357165 Hartree
139	RY*(9)C7	10475	0.000243922	2.366143143 Hartree
140	RY*(10)C7	10476	0.000025403	2.364122445 Hartree
141	RY*(1)O8	10477	0.001525373	1.336977304 Hartree
142	RY*(2)O8	10478	0.000864322	1.046928993 Hartree
143	RY*(3)O8	10479	0.000254227	2.117383527 Hartree
144	RY*(4)O8	10480	0.000207689	1.462366697 Hartree
145	RY*(5)O8	10481	0.000137753	2.087817833 Hartree
146	RY*(6)O8	10482	0.000104542	2.634327071 Hartree
147	RY*(7)O8	10483	0.000058963	1.847559571 Hartree
148	RY*(8)O8	10484	0.000012230	2.582227560 Hartree
149	RY*(9)O8	10485	0.000015187	2.370723761 Hartree
150	RY*(10)O8	10486	0.000001477	1.864106906 Hartree
151	RY*(1)O9	10487	0.003022857	1.304868853 Hartree
152	RY*(2)O9	10488	0.002039341	1.166021454 Hartree
153	RY*(3)O9	10489	0.000812433	1.843859003 Hartree
154	RY*(4)O9	10490	0.000523082	1.883489127 Hartree
155	RY*(5)O9	10491	0.000150125	2.073437553 Hartree
156	RY*(6)O9	10492	0.000118144	2.302588007 Hartree
157	RY*(7)O9	10493	0.000086835	2.523152710 Hartree
158	RY*(8)O9	10494	0.000044417	3.673232682 Hartree
159	RY*(9)O9	10495	0.000027072	1.939035357 Hartree
160	RY*(10)O9	10496	0.000025151	2.274097585 Hartree
161	RY*(1)C10	10497	0.004525081	1.033027865 Hartree
162	RY*(2)C10	10498	0.003338894	0.730848834 Hartree
163	RY*(3)C10	10499	0.001630067	1.793269259 Hartree
164	RY*(4)C10	10500	0.000692736	1.051805827 Hartree
165	RY*(5)C10	10501	0.000649410	1.880605733 Hartree
166	RY*(6)C10	10502	0.000335805	1.985518510 Hartree
167	RY*(7)C10	10503	0.000200924	1.960333910 Hartree
168	RY*(8)C10	10504	0.000180007	1.596326989 Hartree
169	RY*(9)C10	10505	0.000017200	1.924670813 Hartree
170	RY*(10)C10	10506	0.000009581	4.082247556 Hartree
171	RY*(1)C11	10507	0.001525864	0.930862815 Hartree
172	RY*(2)C11	10508	0.001104248	0.804294547 Hartree
173	RY*(3)C11	10509	0.000608659	0.666440291 Hartree
174	RY*(4)C11	10510	0.000171157	1.259625064 Hartree
175	RY*(5)C11	10511	0.000122278	1.965903871 Hartree
176	RY*(6)C11	10512	0.000025627	1.776854132 Hartree
177	RY*(7)C11	10513	0.000003580	1.964492675 Hartree
178	RY*(8)C11	10514	0.000001237	4.027322252 Hartree
179	RY*(9)C11	10515	0.000001336	1.963959066 Hartree
180	RY*(10)C11	10516	0.000003691	2.079253101 Hartree
181	RY*(1)H12	10517	0.000786971	0.643275337 Hartree
182	RY*(1)H13	10518	0.001186195	0.679056269 Hartree
183	RY*(1)H14	10519	0.001396432	0.648745387 Hartree
184	RY*(1)H15	10520	0.001257976	0.658518043 Hartree
185	RY*(1)H16	10521	0.002280265	0.656248331 Hartree
186	RY*(1)C17	10522	0.017908166	0.878355204 Hartree
187	RY*(2)C17	10523	0.006235291	1.344573038 Hartree
188	RY*(3)C17	10524	0.003194297	2.209959950 Hartree
189	RY*(4)C17	10525	0.003136307	2.240375112 Hartree
190	RY*(5)C17	10526	0.001890773	1.195566947 Hartree
191	RY*(6)C17	10527	0.001340919	2.260236530 Hartree
192	RY*(7)C17	10528	0.000850171	2.623555139 Hartree
193	RY*(8)C17	10529	0.000358235	1.488848694 Hartree
194	RY*(9)C17	10530	0.000185106	2.339146217 Hartree
195	RY*(10)C17	10531	0.000024431	2.360461180 Hartree
196	RY*(1)O18	10532	0.001512646	1.324103944 Hartree
197	RY*(2)O18	10533	0.000861966	1.037012267 Hartree
198	RY*(3)O18	10534	0.000261895	2.023466714 Hartree
199	RY*(4)O18	10535	0.000198151	1.506013952 Hartree
200	RY*(5)O18	10536	0.000147743	2.072543973 Hartree
201	RY*(6)O18	10537	0.000105311	2.742435624 Hartree
202	RY*(7)O18	10538	0.000051496	1.810748465 Hartree
203	RY*(8)O18	10539	0.000003915	1.923330155 Hartree
204	RY*(9)O18	10540	0.000011253	2.817601549 Hartree
205	RY*(10)O18	10541	0.000009894	2.082043318 Hartree
206	RY*(1)O19	10542	0.003000204	1.321940419 Hartree
207	RY*(2)O19	10543	0.002241469	1.120288094 Hartree
208	RY*(3)O19	10544	0.001030649	1.746780524 Hartree
209	RY*(4)O19	10545	0.000419427	1.998806555 Hartree
210	RY*(5)O19	10546	0.000128257	2.013509491 Hartree
211	RY*(6)O19	10547	0.000137952	2.319575845 Hartree
212	RY*(7)O19	10548	0.000084196	2.574546138 Hartree
213	RY*(8)O19	10549	0.000049618	3.694475166 Hartree
214	RY*(9)O19	10550	0.000022500	1.956643779 Hartree
215	RY*(10)O19	10551	0.000018730	2.251137258 Hartree
216	RY*(1)C20	10552	0.004428592	0.918955766 Hartree
217	RY*(2)C20	10553	0.002178600	0.839172211 Hartree
218	RY*(3)C20	10554	0.001844173	1.380195382 Hartree
219	RY*(4)C20	10555	0.001153653	1.506792850 Hartree
220	RY*(5)C20	10556	0.000982159	1.557712752 Hartree
221	RY*(6)C20	10557	0.000421814	2.222278051 Hartree
222	RY*(7)C20	10558	0.000135508	1.708988500 Hartree
223	RY*(8)C20	10559	0.000052007	1.689429846 Hartree
224	RY*(9)C20	10560	0.000010682	4.079634912 Hartree
225	RY*(10)C20	10561	0.000003742	2.071218858 Hartree
226	RY*(1)C21	10562	0.001974700	0.748595931 Hartree
227	RY*(2)C21	10563	0.001300648	0.966069967 Hartree
228	RY*(3)C21	10564	0.000414611	0.639134574 Hartree
229	RY*(4)C21	10565	0.000173000	1.280468984 Hartree
230	RY*(5)C21	10566	0.000083145	2.018409953 Hartree
231	RY*(6)C21	10567	0.000030176	1.814933288 Hartree
232	RY*(7)C21	10568	0.000003615	1.921356260 Hartree
233	RY*(8)C21	10569	0.000001956	4.090712066 Hartree
234	RY*(9)C21	10570	0.000009743	1.963971892 Hartree
235	RY*(10)C21	10571	0.000001944	1.930438648 Hartree
236	RY*(1)H22	10572	0.000676412	0.642151605 Hartree
237	RY*(1)H23	10573	0.001267572	0.654829376 Hartree
238	RY*(1)H24	10574	0.001284234	0.677320094 Hartree
239	RY*(1)H25	10575	0.002054169	0.638991369 Hartree
240	RY*(1)H26	10576	0.002084695	0.649699484 Hartree
241	RY*(1)H27	10577	0.001843344	0.640091853 Hartree
242	RY*(1)C28	10578	0.017241560	0.769049542 Hartree
243	RY*(2)C28	10579	0.011681734	1.117401983 Hartree
244	RY*(3)C28	10580	0.003274971	2.075741432 Hartree
245	RY*(4)C28	10581	0.002559290	1.999386707 Hartree
246	RY*(5)C28	10582	0.002046046	1.273003976 Hartree
247	RY*(6)C28	10583	0.001804490	1.380380543 Hartree
248	RY*(7)C28	10584	0.000786026	2.069186706 Hartree
249	RY*(8)C28	10585	0.000261854	1.798930525 Hartree
250	RY*(9)C28	10586	0.000126733	3.783984536 Hartree
251	RY*(10)C28	10587	0.000030092	2.329538976 Hartree
252	RY*(1)O29	10588	0.002225380	1.165724313 Hartree
253	RY*(2)O29	10589	0.001990937	1.125890734 Hartree
254	RY*(3)O29	10590	0.001390696	2.292160269 Hartree
255	RY*(4)O29	10591	0.000396361	1.847635192 Hartree
256	RY*(5)O29	10592	0.000207861	2.024421563 Hartree
257	RY*(6)O29	10593	0.000076856	2.694465660 Hartree
258	RY*(7)O29	10594	0.000048377	2.792057364 Hartree
259	RY*(8)O29	10595	0.000034299	2.043718802 Hartree
260	RY*(9)O29	10596	0.000041682	2.893231569 Hartree
261	RY*(10)O29	10597	0.000011651	2.191642146 Hartree
262	RY*(1)O30	10598	0.001735103	1.376642457 Hartree
263	RY*(2)O30	10599	0.001071008	2.098738744 Hartree
264	RY*(3)O30	10600	0.000658682	1.104865875 Hartree
265	RY*(4)O30	10601	0.000181797	2.674351172 Hartree
266	RY*(5)O30	10602	0.000097237	1.077028527 Hartree
267	RY*(6)O30	10603	0.000038392	2.005251461 Hartree
268	RY*(7)O30	10604	0.000006260	3.028947178 Hartree
269	RY*(8)O30	10605	0.000004269	2.027742652 Hartree
270	RY*(9)O30	10606	0.000013833	1.854833360 Hartree
271	RY*(10)O30	10607	0.000002433	1.925453197 Hartree
272	RY*(1)H31	10608	0.000625372	0.541036109 Hartree
273	RY*(1)H32	10609	0.000735126	0.544359823 Hartree
274	RY*(1)H33	10610	0.001575886	0.606835845 Hartree
275	BD*(1)C1-C2		0.028811346	0.379440470 Hartree
276	BD*(1)C1-C6		0.039703228	0.348619909 Hartree
277	BD*(1)C1-O29		0.039850295	0.267252711 Hartree
278	BD*(1)C1-H33		0.016008406	0.425948690 Hartree
279	BD*(1)C2-C3		0.012764530	0.633649230 Hartree
280	BD*(2)C2-C3		0.050413864	0.031249699 Hartree
281	BD*(1)C2-H32		0.015082149	0.435911022 Hartree
282	BD*(1)C3-C4		0.022119355	0.389069506 Hartree
283	BD*(1)C3-H31		0.015164279	0.435951348 Hartree
284	BD*(1)C4-C5		0.032908989	0.357121031 Hartree
285	BD*(1)C4-H27		0.013788256	0.430573784 Hartree
286	BD*(1)C4-C28		0.083146249	0.345531798 Hartree
287	BD*(1)C5-C6		0.032132931	0.611874954 Hartree
288	BD*(2)C5-C6		0.159249865	0.017285270 Hartree
289	BD*(1)C5-C17		0.045506661	0.561492637 Hartree
290	BD*(1)C6-C7		0.045228414	0.564071256 Hartree
291	BD*(1)C7-O8		0.021708069	0.600634949 Hartree
292	BD*(2)C7-O8		0.292824202	-0.002024120 Hartree
293	BD*(1)C7-O9		0.101796601	0.355401120 Hartree
294	BD*(1)O9-C10		0.027850101	0.293654080 Hartree
295	BD*(1)C10-C11		0.015071605	0.366222777 Hartree
296	BD*(1)C10-H15		0.016127968	0.416516092 Hartree
297	BD*(1)C10-H16		0.023837781	0.417434889 Hartree
298	BD*(1)C11-H12		0.005120613	0.417305812 Hartree
299	BD*(1)C11-H13		0.008719093	0.426586674 Hartree
300	BD*(1)C11-H14		0.007267149	0.418096816 Hartree
301	BD*(1)C17-O18		0.020701505	0.602675343 Hartree
302	BD*(2)C17-O18		0.286874057	-0.001198621 Hartree
303	BD*(1)C17-O19		0.099092754	0.356379265 Hartree
304	BD*(1)O19-C20		0.027835341	0.291677685 Hartree
305	BD*(1)C20-C21		0.010520949	0.372772806 Hartree
306	BD*(1)C20-H25		0.022598647	0.412880077 Hartree
307	BD*(1)C20-H26		0.022312710	0.412754455 Hartree
308	BD*(1)C21-H22		0.003843307	0.414173740 Hartree
309	BD*(1)C21-H23		0.007735061	0.417892339 Hartree
310	BD*(1)C21-H24		0.008041215	0.416246289 Hartree
311	BD*(1)C28-O29		0.110562440	0.335562027 Hartree
312	BD*(1)C28-O30		0.015406936	0.596533989 Hartree
313	BD*(2)C28-O30		0.208946074	0.003432173 Hartree

Quote

NOT WHAT WE DID SHALL BE THE TEST WHEN ACT AND WILL ARE DONE, BUT WHAT OUR LORD INFERS WE WOULD- HAD WE DIVINER BEEN. EMILY DICKINSON POEMS NO. CLXXV

WebMO Job Summary

610696: C13H14O6, Natural Bond Orbitals - Gaussian

Calculated Quantities

Overview

Rotational Constants

Molecular Orbitals

Natural Population Analysis

Natural Atomic Orbitals

Natural Hybrid Orbitals

Natural Bond Orbitals

Quote