WebMO Job Summary

200924: 2-Methoxy-4-((E)-[(4-methylphenyl)imino]methyl)phenol, Natural Bond Orbitals 6.0/NRT - Gaussian

Raw Output

Save Notes

Calculated Quantities

Expand all

Overview

Quantity	Value
Route	#N M062X/6-31G(d) SP GFINPUT POP=(FULL,NBO6Read) Geom=Connectivity
Stoichiometry	C15H15NO2
Symmetry	C1
Basis	6-31G(d)
RM062X Energy	-785.47605917 Hartree
Dipole Moment	3.8508 Debye
Server	batch (203313)
CPU time	482.3 sec

Rotational Constants

Constant	Frequency (GHz)	Frequency (cm-1)
a	1.2848826	0.04285907019
b	0.1415393	0.00472124285
c	0.1299403	0.00433434186

Partial Charges

Atom	Symbol	Charge
1	C	-0.239894
2	O	-0.579308
3	C	0.324015
4	C	-0.259824
5	C	0.062426
6	C	-0.185456
7	C	-0.195617
8	C	0.308832
9	O	-0.672424
10	H	0.450883
11	H	0.180897
12	H	0.195830
13	C	0.051646
14	N	-0.479427
15	C	0.225847
16	C	-0.165926
17	C	-0.208909
18	C	0.120466
19	C	-0.213306
20	C	-0.174237
21	H	0.158778
22	H	0.153287
23	C	-0.545208
24	H	0.182781
25	H	0.171864
26	H	0.169634
27	H	0.155173
28	H	0.169580
29	H	0.138492
30	H	0.165193
31	H	0.192389
32	H	0.170355
33	H	0.171168

Molecular Orbitals

Display Range		- / 300
Orbital	Symmetry	Occupancy	Energy	Actions
1	-	2	-19.68859 Hartree
2	-	2	-19.66777 Hartree
3	-	2	-14.75355 Hartree
4	-	2	-10.61501 Hartree
5	-	2	-10.61430 Hartree
6	-	2	-10.61390 Hartree
7	-	2	-10.59356 Hartree
8	-	2	-10.57313 Hartree
9	-	2	-10.56159 Hartree
10	-	2	-10.55467 Hartree
11	-	2	-10.55096 Hartree
12	-	2	-10.54881 Hartree
13	-	2	-10.54802 Hartree
14	-	2	-10.54483 Hartree
15	-	2	-10.54367 Hartree
16	-	2	-10.54238 Hartree
17	-	2	-10.54018 Hartree
18	-	2	-10.53885 Hartree
19	-	2	-1.21297 Hartree
20	-	2	-1.17682 Hartree
21	-	2	-1.03994 Hartree
22	-	2	-0.96258 Hartree
23	-	2	-0.94549 Hartree
24	-	2	-0.87238 Hartree
25	-	2	-0.85658 Hartree
26	-	2	-0.84557 Hartree
27	-	2	-0.83472 Hartree
28	-	2	-0.80309 Hartree
29	-	2	-0.77177 Hartree
30	-	2	-0.72499 Hartree
31	-	2	-0.69780 Hartree
32	-	2	-0.68906 Hartree
33	-	2	-0.66657 Hartree
34	-	2	-0.63880 Hartree
35	-	2	-0.63715 Hartree
36	-	2	-0.60138 Hartree
37	-	2	-0.57156 Hartree
38	-	2	-0.56616 Hartree
39	-	2	-0.56463 Hartree
40	-	2	-0.54034 Hartree
41	-	2	-0.52810 Hartree
42	-	2	-0.52115 Hartree
43	-	2	-0.51746 Hartree
44	-	2	-0.49874 Hartree
45	-	2	-0.49316 Hartree
46	-	2	-0.48961 Hartree
47	-	2	-0.48228 Hartree
48	-	2	-0.47807 Hartree
49	-	2	-0.46409 Hartree
50	-	2	-0.45458 Hartree
51	-	2	-0.45225 Hartree
52	-	2	-0.43635 Hartree
53	-	2	-0.42525 Hartree
54	-	2	-0.41730 Hartree
55	-	2	-0.41169 Hartree
56	-	2	-0.40606 Hartree
57	-	2	-0.40424 Hartree
58	-	2	-0.39198 Hartree
59	-	2	-0.36810 Hartree
60	-	2	-0.32974 Hartree
61	-	2	-0.29952 Hartree
62	-	2	-0.29752 Hartree
63	-	2	-0.27689 Hartree
64	-	2	-0.24740 Hartree
65	-	0	-0.01311 Hartree
66	-	0	0.04023 Hartree
67	-	0	0.04081 Hartree
68	-	0	0.05723 Hartree
69	-	0	0.11026 Hartree
70	-	0	0.11877 Hartree
71	-	0	0.13305 Hartree
72	-	0	0.14707 Hartree
73	-	0	0.16212 Hartree
74	-	0	0.17075 Hartree
75	-	0	0.17400 Hartree
76	-	0	0.18753 Hartree
77	-	0	0.19548 Hartree
78	-	0	0.19982 Hartree
79	-	0	0.20278 Hartree
80	-	0	0.20458 Hartree
81	-	0	0.21971 Hartree
82	-	0	0.22595 Hartree
83	-	0	0.22964 Hartree
84	-	0	0.23825 Hartree
85	-	0	0.24098 Hartree
86	-	0	0.25421 Hartree
87	-	0	0.25884 Hartree
88	-	0	0.27051 Hartree
89	-	0	0.27975 Hartree
90	-	0	0.29502 Hartree
91	-	0	0.31399 Hartree
92	-	0	0.33706 Hartree
93	-	0	0.35267 Hartree
94	-	0	0.37226 Hartree
95	-	0	0.37743 Hartree
96	-	0	0.39281 Hartree
97	-	0	0.40282 Hartree
98	-	0	0.40485 Hartree
99	-	0	0.41562 Hartree
100	-	0	0.44735 Hartree
101	-	0	0.49517 Hartree
102	-	0	0.53526 Hartree
103	-	0	0.55008 Hartree
104	-	0	0.55324 Hartree
105	-	0	0.55642 Hartree
106	-	0	0.56343 Hartree
107	-	0	0.56767 Hartree
108	-	0	0.57242 Hartree
109	-	0	0.57779 Hartree
110	-	0	0.58154 Hartree
111	-	0	0.59084 Hartree
112	-	0	0.60299 Hartree
113	-	0	0.61200 Hartree
114	-	0	0.62143 Hartree
115	-	0	0.62597 Hartree
116	-	0	0.63001 Hartree
117	-	0	0.63999 Hartree
118	-	0	0.65141 Hartree
119	-	0	0.65399 Hartree
120	-	0	0.65814 Hartree
121	-	0	0.66265 Hartree
122	-	0	0.67201 Hartree
123	-	0	0.67802 Hartree
124	-	0	0.68321 Hartree
125	-	0	0.69074 Hartree
126	-	0	0.69611 Hartree
127	-	0	0.70649 Hartree
128	-	0	0.71435 Hartree
129	-	0	0.72410 Hartree
130	-	0	0.73707 Hartree
131	-	0	0.76512 Hartree
132	-	0	0.77063 Hartree
133	-	0	0.77976 Hartree
134	-	0	0.78923 Hartree
135	-	0	0.79427 Hartree
136	-	0	0.80846 Hartree
137	-	0	0.81233 Hartree
138	-	0	0.83950 Hartree
139	-	0	0.84752 Hartree
140	-	0	0.87104 Hartree
141	-	0	0.87930 Hartree
142	-	0	0.88146 Hartree
143	-	0	0.89748 Hartree
144	-	0	0.90729 Hartree
145	-	0	0.91339 Hartree
146	-	0	0.91534 Hartree
147	-	0	0.92449 Hartree
148	-	0	0.92948 Hartree
149	-	0	0.93523 Hartree
150	-	0	0.94299 Hartree
151	-	0	0.95393 Hartree
152	-	0	0.96289 Hartree
153	-	0	0.97213 Hartree
154	-	0	0.97428 Hartree
155	-	0	0.98033 Hartree
156	-	0	0.99273 Hartree
157	-	0	1.00260 Hartree
158	-	0	1.01963 Hartree
159	-	0	1.02264 Hartree
160	-	0	1.03067 Hartree
161	-	0	1.03750 Hartree
162	-	0	1.05107 Hartree
163	-	0	1.05899 Hartree
164	-	0	1.05963 Hartree
165	-	0	1.07905 Hartree
166	-	0	1.10509 Hartree
167	-	0	1.12613 Hartree
168	-	0	1.13092 Hartree
169	-	0	1.13820 Hartree
170	-	0	1.14849 Hartree
171	-	0	1.16639 Hartree
172	-	0	1.19031 Hartree
173	-	0	1.20107 Hartree
174	-	0	1.23053 Hartree
175	-	0	1.24127 Hartree
176	-	0	1.26545 Hartree
177	-	0	1.26904 Hartree
178	-	0	1.27743 Hartree
179	-	0	1.29107 Hartree
180	-	0	1.30964 Hartree
181	-	0	1.34384 Hartree
182	-	0	1.36564 Hartree
183	-	0	1.38030 Hartree
184	-	0	1.39094 Hartree
185	-	0	1.40264 Hartree
186	-	0	1.41023 Hartree
187	-	0	1.43309 Hartree
188	-	0	1.45379 Hartree
189	-	0	1.45469 Hartree
190	-	0	1.47944 Hartree
191	-	0	1.48678 Hartree
192	-	0	1.49555 Hartree
193	-	0	1.51422 Hartree
194	-	0	1.52327 Hartree
195	-	0	1.53775 Hartree
196	-	0	1.54764 Hartree
197	-	0	1.55415 Hartree
198	-	0	1.55687 Hartree
199	-	0	1.57366 Hartree
200	-	0	1.58301 Hartree
201	-	0	1.66862 Hartree
202	-	0	1.70025 Hartree
203	-	0	1.73514 Hartree
204	-	0	1.76727 Hartree
205	-	0	1.78273 Hartree
206	-	0	1.80217 Hartree
207	-	0	1.83630 Hartree
208	-	0	1.83715 Hartree
209	-	0	1.85173 Hartree
210	-	0	1.86992 Hartree
211	-	0	1.87772 Hartree
212	-	0	1.89139 Hartree
213	-	0	1.90558 Hartree
214	-	0	1.91370 Hartree
215	-	0	1.92862 Hartree
216	-	0	1.93485 Hartree
217	-	0	1.95217 Hartree
218	-	0	1.96100 Hartree
219	-	0	1.97525 Hartree
220	-	0	1.98324 Hartree
221	-	0	1.99901 Hartree
222	-	0	2.02312 Hartree
223	-	0	2.02888 Hartree
224	-	0	2.04800 Hartree
225	-	0	2.06264 Hartree
226	-	0	2.06794 Hartree
227	-	0	2.10513 Hartree
228	-	0	2.11250 Hartree
229	-	0	2.11782 Hartree
230	-	0	2.14446 Hartree
231	-	0	2.15470 Hartree
232	-	0	2.16195 Hartree
233	-	0	2.16919 Hartree
234	-	0	2.17843 Hartree
235	-	0	2.19986 Hartree
236	-	0	2.23867 Hartree
237	-	0	2.26061 Hartree
238	-	0	2.26665 Hartree
239	-	0	2.27570 Hartree
240	-	0	2.28938 Hartree
241	-	0	2.29877 Hartree
242	-	0	2.32245 Hartree
243	-	0	2.33029 Hartree
244	-	0	2.34394 Hartree
245	-	0	2.35260 Hartree
246	-	0	2.35467 Hartree
247	-	0	2.35902 Hartree
248	-	0	2.38312 Hartree
249	-	0	2.40120 Hartree
250	-	0	2.41608 Hartree
251	-	0	2.44089 Hartree
252	-	0	2.47990 Hartree
253	-	0	2.48193 Hartree
254	-	0	2.49709 Hartree
255	-	0	2.53002 Hartree
256	-	0	2.54446 Hartree
257	-	0	2.60079 Hartree
258	-	0	2.62724 Hartree
259	-	0	2.62847 Hartree
260	-	0	2.64162 Hartree
261	-	0	2.67211 Hartree
262	-	0	2.68364 Hartree
263	-	0	2.69731 Hartree
264	-	0	2.71178 Hartree
265	-	0	2.71778 Hartree
266	-	0	2.74500 Hartree
267	-	0	2.77991 Hartree
268	-	0	2.79345 Hartree
269	-	0	2.82374 Hartree
270	-	0	2.84434 Hartree
271	-	0	2.87107 Hartree
272	-	0	2.88676 Hartree
273	-	0	2.93609 Hartree
274	-	0	2.94119 Hartree
275	-	0	2.97403 Hartree
276	-	0	3.01361 Hartree
277	-	0	3.06568 Hartree
278	-	0	3.13664 Hartree
279	-	0	3.22121 Hartree
280	-	0	3.29591 Hartree
281	-	0	3.44731 Hartree
282	-	0	3.46985 Hartree
283	-	0	3.96662 Hartree
284	-	0	4.09541 Hartree
285	-	0	4.12397 Hartree
286	-	0	4.12897 Hartree
287	-	0	4.14770 Hartree
288	-	0	4.15606 Hartree
289	-	0	4.16543 Hartree
290	-	0	4.21086 Hartree
291	-	0	4.23873 Hartree
292	-	0	4.27852 Hartree
293	-	0	4.30264 Hartree
294	-	0	4.36753 Hartree
295	-	0	4.37326 Hartree
296	-	0	4.43807 Hartree
297	-	0	4.49004 Hartree
298	-	0	4.60945 Hartree
299	-	0	4.76507 Hartree
300	-	0	4.98204 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom	Symbol	Charge
1	C	-0.32080
2	O	-0.56753
3	C	0.25215
4	C	-0.28696
5	C	-0.13117
6	C	-0.20127
7	C	-0.28695
8	C	0.31999
9	O	-0.70290
10	H	0.51387
11	H	0.26023
12	H	0.26764
13	C	0.11655
14	N	-0.45440
15	C	0.12450
16	C	-0.23102
17	C	-0.23297
18	C	-0.04632
19	C	-0.23173
20	C	-0.26179
21	H	0.24308
22	H	0.24003
23	C	-0.70564
24	H	0.25102
25	H	0.24524
26	H	0.24356
27	H	0.24099
28	H	0.25305
29	H	0.18653
30	H	0.24499
31	H	0.23615
32	H	0.21071
33	H	0.21119

Natural Atomic Orbitals

Display Range		- / 300
Orbital	Description	Occupancy	Energy	Actions
1	C1 Cor(1s)	1.999994291	-10.613859724 Hartree
2	C1 Val(2s)	1.100100209	-0.249276350 Hartree
3	C1 Ryd(3s)	0.001487892	1.172990217 Hartree
4	C1 Ryd(4s)	0.000026531	4.247264266 Hartree
5	C1 Val(2p)	1.224335756	-0.127410240 Hartree
6	C1 Ryd(3p)	0.003304731	0.751858725 Hartree
7	C1 Val(2p)	0.760732302	-0.055014158 Hartree
8	C1 Ryd(3p)	0.003004477	0.633957165 Hartree
9	C1 Val(2p)	1.220786058	-0.125561365 Hartree
10	C1 Ryd(3p)	0.000392746	0.625692037 Hartree
11	C1 Ryd(3d)	0.001340746	2.130614912 Hartree
12	C1 Ryd(3d)	0.001403430	2.105594820 Hartree
13	C1 Ryd(3d)	0.001313582	1.944407797 Hartree
14	C1 Ryd(3d)	0.001360647	2.132556550 Hartree
15	C1 Ryd(3d)	0.001221531	2.114772327 Hartree
16	O2 Cor(1s)	1.999998514	-19.688559089 Hartree
17	O2 Val(2s)	1.584258862	-0.798349690 Hartree
18	O2 Ryd(3s)	0.000873915	2.333005921 Hartree
19	O2 Ryd(4s)	0.000044823	3.616068666 Hartree
20	O2 Val(2p)	1.694365250	-0.392052762 Hartree
21	O2 Ryd(3p)	0.002429114	1.319394508 Hartree
22	O2 Val(2p)	1.411443731	-0.334876944 Hartree
23	O2 Ryd(3p)	0.000878011	1.551002770 Hartree
24	O2 Val(2p)	1.862782227	-0.398594662 Hartree
25	O2 Ryd(3p)	0.002825503	1.132058749 Hartree
26	O2 Ryd(3d)	0.002175346	2.504396756 Hartree
27	O2 Ryd(3d)	0.001926109	1.942838226 Hartree
28	O2 Ryd(3d)	0.000325286	2.021001746 Hartree
29	O2 Ryd(3d)	0.001745281	2.354557937 Hartree
30	O2 Ryd(3d)	0.001462443	2.209416322 Hartree
31	C3 Cor(1s)	1.999995581	-10.614687211 Hartree
32	C3 Val(2s)	0.831053860	-0.080490507 Hartree
33	C3 Ryd(3s)	0.001128468	1.205376263 Hartree
34	C3 Ryd(4s)	0.000155086	4.069921163 Hartree
35	C3 Val(2p)	0.923059635	0.005880183 Hartree
36	C3 Ryd(3p)	0.007047721	1.044379247 Hartree
37	C3 Val(2p)	0.932059040	-0.023585475 Hartree
38	C3 Ryd(3p)	0.003879353	1.071269706 Hartree
39	C3 Val(2p)	1.043062368	-0.128653095 Hartree
40	C3 Ryd(3p)	0.000850868	0.706305312 Hartree
41	C3 Ryd(3d)	0.001312943	2.491173508 Hartree
42	C3 Ryd(3d)	0.001411622	2.023362679 Hartree
43	C3 Ryd(3d)	0.001076220	1.996409929 Hartree
44	C3 Ryd(3d)	0.001138330	2.543789943 Hartree
45	C3 Ryd(3d)	0.000617309	2.382163425 Hartree
46	C4 Cor(1s)	1.999996821	-10.561546255 Hartree
47	C4 Val(2s)	0.945891079	-0.097251942 Hartree
48	C4 Ryd(3s)	0.000523416	1.477569478 Hartree
49	C4 Ryd(4s)	0.000056692	3.910532314 Hartree
50	C4 Val(2p)	1.079530769	-0.026240488 Hartree
51	C4 Ryd(3p)	0.003088164	0.938709594 Hartree
52	C4 Val(2p)	1.195081578	-0.067582988 Hartree
53	C4 Ryd(3p)	0.003480531	1.172392682 Hartree
54	C4 Val(2p)	1.055254024	-0.123694388 Hartree
55	C4 Ryd(3p)	0.000797487	0.688463205 Hartree
56	C4 Ryd(3d)	0.000592175	2.446466561 Hartree
57	C4 Ryd(3d)	0.000681500	1.976856434 Hartree
58	C4 Ryd(3d)	0.000383346	1.886666164 Hartree
59	C4 Ryd(3d)	0.000869288	2.439182585 Hartree
60	C4 Ryd(3d)	0.000733392	2.306244365 Hartree
61	C5 Cor(1s)	1.999996929	-10.554641812 Hartree
62	C5 Val(2s)	0.883784576	-0.060096436 Hartree
63	C5 Ryd(3s)	0.000599007	1.100203128 Hartree
64	C5 Ryd(4s)	0.000076758	4.295472767 Hartree
65	C5 Val(2p)	1.072915900	-0.021749153 Hartree
66	C5 Ryd(3p)	0.005080717	1.275730329 Hartree
67	C5 Val(2p)	1.097533756	-0.018009961 Hartree
68	C5 Ryd(3p)	0.005589000	1.160886948 Hartree
69	C5 Val(2p)	1.061751484	-0.104806203 Hartree
70	C5 Ryd(3p)	0.001145323	0.760769094 Hartree
71	C5 Ryd(3d)	0.000600076	2.539350730 Hartree
72	C5 Ryd(3d)	0.000415270	1.964124544 Hartree
73	C5 Ryd(3d)	0.000573984	2.020325806 Hartree
74	C5 Ryd(3d)	0.000593514	2.516793549 Hartree
75	C5 Ryd(3d)	0.000510925	2.340503588 Hartree
76	C6 Cor(1s)	1.999996722	-10.548318950 Hartree
77	C6 Val(2s)	0.953598310	-0.085300226 Hartree
78	C6 Ryd(3s)	0.000533586	1.433493260 Hartree
79	C6 Ryd(4s)	0.000040109	3.957805337 Hartree
80	C6 Val(2p)	1.127677909	-0.019894973 Hartree
81	C6 Ryd(3p)	0.004576898	1.050832472 Hartree
82	C6 Val(2p)	1.133076573	-0.022989537 Hartree
83	C6 Ryd(3p)	0.004527618	0.972739183 Hartree
84	C6 Val(2p)	0.973422197	-0.097504085 Hartree
85	C6 Ryd(3p)	0.000606538	0.694945562 Hartree
86	C6 Ryd(3d)	0.000846816	2.418681340 Hartree
87	C6 Ryd(3d)	0.000562637	1.935221956 Hartree
88	C6 Ryd(3d)	0.000452453	1.956666538 Hartree
89	C6 Ryd(3d)	0.000702184	2.445826464 Hartree
90	C6 Ryd(3d)	0.000653438	2.294386294 Hartree
91	C7 Cor(1s)	1.999996703	-10.548474278 Hartree
92	C7 Val(2s)	0.963885315	-0.100859893 Hartree
93	C7 Ryd(3s)	0.000717718	1.334867738 Hartree
94	C7 Ryd(4s)	0.000055626	4.034708373 Hartree
95	C7 Val(2p)	1.076686560	-0.008489762 Hartree
96	C7 Ryd(3p)	0.004870212	0.841760457 Hartree
97	C7 Val(2p)	1.188322196	-0.054901911 Hartree
98	C7 Ryd(3p)	0.004423152	1.137513316 Hartree
99	C7 Val(2p)	1.043908207	-0.109047398 Hartree
100	C7 Ryd(3p)	0.000831621	0.690103099 Hartree
101	C7 Ryd(3d)	0.000889078	2.416448795 Hartree
102	C7 Ryd(3d)	0.000516710	1.987189513 Hartree
103	C7 Ryd(3d)	0.000532588	1.895676206 Hartree
104	C7 Ryd(3d)	0.000594829	2.415314289 Hartree
105	C7 Ryd(3d)	0.000715195	2.297714276 Hartree
106	C8 Cor(1s)	1.999995821	-10.614551441 Hartree
107	C8 Val(2s)	0.835702186	-0.081228544 Hartree
108	C8 Ryd(3s)	0.001248773	1.283312070 Hartree
109	C8 Ryd(4s)	0.000126292	3.976218128 Hartree
110	C8 Val(2p)	0.791388745	0.011496436 Hartree
111	C8 Ryd(3p)	0.006683182	0.974572801 Hartree
112	C8 Val(2p)	1.054684383	-0.020420343 Hartree
113	C8 Ryd(3p)	0.005804622	1.010223072 Hartree
114	C8 Val(2p)	0.977639062	-0.115706845 Hartree
115	C8 Ryd(3p)	0.000689679	0.706311922 Hartree
116	C8 Ryd(3d)	0.001388768	2.505208589 Hartree
117	C8 Ryd(3d)	0.002266493	2.025568208 Hartree
118	C8 Ryd(3d)	0.000598027	2.000425106 Hartree
119	C8 Ryd(3d)	0.001257570	2.482592693 Hartree
120	C8 Ryd(3d)	0.000539553	2.363734656 Hartree
121	O9 Cor(1s)	1.999998352	-19.667730353 Hartree
122	O9 Val(2s)	1.652939730	-0.814603789 Hartree
123	O9 Ryd(3s)	0.000222358	2.480143358 Hartree
124	O9 Ryd(4s)	0.000038947	3.429140370 Hartree
125	O9 Val(2p)	1.454321807	-0.328275793 Hartree
126	O9 Ryd(3p)	0.001624461	1.251420063 Hartree
127	O9 Val(2p)	1.715854309	-0.378461473 Hartree
128	O9 Ryd(3p)	0.001395921	1.342715047 Hartree
129	O9 Val(2p)	1.864022543	-0.383744516 Hartree
130	O9 Ryd(3p)	0.001897221	1.053702161 Hartree
131	O9 Ryd(3d)	0.002384805	2.324897549 Hartree
132	O9 Ryd(3d)	0.000967346	1.990312948 Hartree
133	O9 Ryd(3d)	0.002122697	1.837396755 Hartree
134	O9 Ryd(3d)	0.003090163	2.425988086 Hartree
135	O9 Ryd(3d)	0.002016691	2.204927287 Hartree
136	H10 Val(1s)	0.484255519	0.196851844 Hartree
137	H10 Ryd(2s)	0.001875955	0.716473149 Hartree
138	H11 Val(1s)	0.738863070	0.142107114 Hartree
139	H11 Ryd(2s)	0.000908803	0.636307809 Hartree
140	H12 Val(1s)	0.731179163	0.158777017 Hartree
141	H12 Ryd(2s)	0.001183561	0.672800715 Hartree
142	C13 Cor(1s)	1.999997275	-10.593526040 Hartree
143	C13 Val(2s)	0.927745277	-0.104646346 Hartree
144	C13 Ryd(3s)	0.004978829	1.094926903 Hartree
145	C13 Ryd(4s)	0.000097151	3.947171152 Hartree
146	C13 Val(2p)	0.965899073	0.015518068 Hartree
147	C13 Ryd(3p)	0.002557819	0.874838533 Hartree
148	C13 Val(2p)	1.090685753	-0.030391963 Hartree
149	C13 Ryd(3p)	0.006878723	1.031489821 Hartree
150	C13 Val(2p)	0.878187274	-0.109604973 Hartree
151	C13 Ryd(3p)	0.001056916	0.669455248 Hartree
152	C13 Ryd(3d)	0.000960501	2.474900042 Hartree
153	C13 Ryd(3d)	0.001133176	2.019939719 Hartree
154	C13 Ryd(3d)	0.000691462	1.947208805 Hartree
155	C13 Ryd(3d)	0.002042928	2.509807786 Hartree
156	C13 Ryd(3d)	0.000535028	2.281489383 Hartree
157	N14 Cor(1s)	1.999997795	-14.753516790 Hartree
158	N14 Val(2s)	1.354855059	-0.409234223 Hartree
159	N14 Ryd(3s)	0.001409014	1.894762985 Hartree
160	N14 Ryd(4s)	0.000016926	3.835934321 Hartree
161	N14 Val(2p)	1.230351214	-0.134557178 Hartree
162	N14 Ryd(3p)	0.003013390	1.286783444 Hartree
163	N14 Val(2p)	1.666857020	-0.245669956 Hartree
164	N14 Ryd(3p)	0.005500706	1.002156719 Hartree
165	N14 Val(2p)	1.180772616	-0.182475238 Hartree
166	N14 Ryd(3p)	0.001805883	0.915457363 Hartree
167	N14 Ryd(3d)	0.002582495	2.572570721 Hartree
168	N14 Ryd(3d)	0.000432748	2.048154048 Hartree
169	N14 Ryd(3d)	0.002912888	1.962413845 Hartree
170	N14 Ryd(3d)	0.002180984	2.327663313 Hartree
171	N14 Ryd(3d)	0.001709043	2.228051868 Hartree
172	C15 Cor(1s)	1.999996450	-10.573093724 Hartree
173	C15 Val(2s)	0.848367874	-0.049304759 Hartree
174	C15 Ryd(3s)	0.001177853	1.133181251 Hartree
175	C15 Ryd(4s)	0.000114671	4.200485215 Hartree
176	C15 Val(2p)	0.924333248	0.017865249 Hartree
177	C15 Ryd(3p)	0.006345143	1.143066703 Hartree
178	C15 Val(2p)	1.046493835	-0.028922469 Hartree
179	C15 Ryd(3p)	0.005893683	0.964348109 Hartree
180	C15 Val(2p)	1.036942071	-0.071076987 Hartree
181	C15 Ryd(3p)	0.001646857	0.816941061 Hartree
182	C15 Ryd(3d)	0.001217537	2.429123493 Hartree
183	C15 Ryd(3d)	0.000987594	2.213240680 Hartree
184	C15 Ryd(3d)	0.000527410	2.340856519 Hartree
185	C15 Ryd(3d)	0.000873091	2.390933823 Hartree
186	C15 Ryd(3d)	0.000587460	2.156361805 Hartree
187	C16 Cor(1s)	1.999996841	-10.540224261 Hartree
188	C16 Val(2s)	0.958970837	-0.085732725 Hartree
189	C16 Ryd(3s)	0.000714225	1.314641885 Hartree
190	C16 Ryd(4s)	0.000054118	4.073692351 Hartree
191	C16 Val(2p)	1.069392341	0.001194456 Hartree
192	C16 Ryd(3p)	0.004620645	0.837575692 Hartree
193	C16 Val(2p)	1.140236196	-0.058802823 Hartree
194	C16 Ryd(3p)	0.003704485	1.026370523 Hartree
195	C16 Val(2p)	1.048039218	-0.075987893 Hartree
196	C16 Ryd(3p)	0.002150745	0.803172908 Hartree
197	C16 Ryd(3d)	0.000754683	2.296839177 Hartree
198	C16 Ryd(3d)	0.000590660	2.151599798 Hartree
199	C16 Ryd(3d)	0.000724290	2.195831618 Hartree
200	C16 Ryd(3d)	0.000599858	2.324654810 Hartree
201	C16 Ryd(3d)	0.000472431	2.081903476 Hartree
202	C17 Cor(1s)	1.999996878	-10.542293323 Hartree
203	C17 Val(2s)	0.952799219	-0.083119315 Hartree
204	C17 Ryd(3s)	0.000512205	1.403745596 Hartree
205	C17 Ryd(4s)	0.000046959	3.971347271 Hartree
206	C17 Val(2p)	1.119356014	-0.018894378 Hartree
207	C17 Ryd(3p)	0.003992339	0.963203685 Hartree
208	C17 Val(2p)	1.087344479	-0.040386878 Hartree
209	C17 Ryd(3p)	0.003215324	0.881396221 Hartree
210	C17 Val(2p)	1.060703015	-0.079261213 Hartree
211	C17 Ryd(3p)	0.001796251	0.820340871 Hartree
212	C17 Ryd(3d)	0.000735816	2.302200482 Hartree
213	C17 Ryd(3d)	0.000684967	2.093439832 Hartree
214	C17 Ryd(3d)	0.000696227	2.253199698 Hartree
215	C17 Ryd(3d)	0.000633819	2.315843713 Hartree
216	C17 Ryd(3d)	0.000459035	2.061198273 Hartree
217	C18 Cor(1s)	1.999997036	-10.550887125 Hartree
218	C18 Val(2s)	0.886092380	-0.063987751 Hartree
219	C18 Ryd(3s)	0.000283111	1.071148726 Hartree
220	C18 Ryd(4s)	0.000055852	4.325711648 Hartree
221	C18 Val(2p)	1.062631057	-0.013053186 Hartree
222	C18 Ryd(3p)	0.004084204	1.216117271 Hartree
223	C18 Val(2p)	1.059664017	-0.029319453 Hartree
224	C18 Ryd(3p)	0.003059522	0.911999017 Hartree
225	C18 Val(2p)	1.025216570	-0.062276525 Hartree
226	C18 Ryd(3p)	0.002377364	0.816115372 Hartree
227	C18 Ryd(3d)	0.000631609	2.321397381 Hartree
228	C18 Ryd(3d)	0.000592417	2.159347703 Hartree
229	C18 Ryd(3d)	0.000516902	2.324206379 Hartree
230	C18 Ryd(3d)	0.000591400	2.323410259 Hartree
231	C18 Ryd(3d)	0.000523293	2.104693952 Hartree
232	C19 Cor(1s)	1.999996884	-10.543806673 Hartree
233	C19 Val(2s)	0.950981102	-0.083752405 Hartree
234	C19 Ryd(3s)	0.000608460	1.364353213 Hartree
235	C19 Ryd(4s)	0.000048299	4.004494467 Hartree
236	C19 Val(2p)	1.073329454	-0.002641755 Hartree
237	C19 Ryd(3p)	0.003586032	0.822798304 Hartree
238	C19 Val(2p)	1.138793508	-0.063230915 Hartree
239	C19 Ryd(3p)	0.003684726	1.016065131 Hartree
240	C19 Val(2p)	1.055455866	-0.076991895 Hartree
241	C19 Ryd(3p)	0.002056575	0.814881201 Hartree
242	C19 Ryd(3d)	0.000687918	2.274171486 Hartree
243	C19 Ryd(3d)	0.000598594	2.157973743 Hartree
244	C19 Ryd(3d)	0.000758282	2.209670534 Hartree
245	C19 Ryd(3d)	0.000673052	2.313150536 Hartree
246	C19 Ryd(3d)	0.000473165	2.063789916 Hartree
247	C20 Cor(1s)	1.999996824	-10.544658891 Hartree
248	C20 Val(2s)	0.957749710	-0.090091435 Hartree
249	C20 Ryd(3s)	0.000814341	1.206652136 Hartree
250	C20 Ryd(4s)	0.000068148	4.179383681 Hartree
251	C20 Val(2p)	1.126444270	-0.025854691 Hartree
252	C20 Ryd(3p)	0.003655788	0.987597377 Hartree
253	C20 Val(2p)	1.076998366	-0.046842647 Hartree
254	C20 Ryd(3p)	0.003192335	0.859160313 Hartree
255	C20 Val(2p)	1.087848528	-0.083071219 Hartree
256	C20 Ryd(3p)	0.001856831	0.850531377 Hartree
257	C20 Ryd(3d)	0.000673047	2.290575598 Hartree
258	C20 Ryd(3d)	0.000686700	2.102816444 Hartree
259	C20 Ryd(3d)	0.000732971	2.271851837 Hartree
260	C20 Ryd(3d)	0.000618552	2.322305671 Hartree
261	C20 Ryd(3d)	0.000455758	2.057906009 Hartree
262	H21 Val(1s)	0.755899368	0.129757502 Hartree
263	H21 Ryd(2s)	0.001018349	0.658784902 Hartree
264	H22 Val(1s)	0.759070978	0.131596123 Hartree
265	H22 Ryd(2s)	0.000899155	0.637912602 Hartree
266	C23 Cor(1s)	1.999995191	-10.538804842 Hartree
267	C23 Val(2s)	1.096433577	-0.194814020 Hartree
268	C23 Ryd(3s)	0.000220166	1.410684900 Hartree
269	C23 Ryd(4s)	0.000011749	4.201533654 Hartree
270	C23 Val(2p)	1.098941773	-0.060834093 Hartree
271	C23 Ryd(3p)	0.000899103	0.579362286 Hartree
272	C23 Val(2p)	1.246471282	-0.097245629 Hartree
273	C23 Ryd(3p)	0.001970640	0.705771043 Hartree
274	C23 Val(2p)	1.255725025	-0.099707220 Hartree
275	C23 Ryd(3p)	0.001127316	0.698087310 Hartree
276	C23 Ryd(3d)	0.000404163	2.063274473 Hartree
277	C23 Ryd(3d)	0.000888964	2.113030194 Hartree
278	C23 Ryd(3d)	0.000656643	1.996267288 Hartree
279	C23 Ryd(3d)	0.000998653	2.262053660 Hartree
280	C23 Ryd(3d)	0.000893299	2.154788603 Hartree
281	H24 Val(1s)	0.748170655	0.122934478 Hartree
282	H24 Ryd(2s)	0.000805704	0.711395269 Hartree
283	H25 Val(1s)	0.754052093	0.121917799 Hartree
284	H25 Ryd(2s)	0.000710475	0.717751312 Hartree
285	H26 Val(1s)	0.755744767	0.121376739 Hartree
286	H26 Ryd(2s)	0.000698596	0.718651431 Hartree
287	H27 Val(1s)	0.758155231	0.134263446 Hartree
288	H27 Ryd(2s)	0.000859014	0.638532498 Hartree
289	H28 Val(1s)	0.745812445	0.146478641 Hartree
290	H28 Ryd(2s)	0.001133359	0.635799436 Hartree
291	H29 Val(1s)	0.810373314	0.079067484 Hartree
292	H29 Ryd(2s)	0.003101066	0.706206917 Hartree
293	H30 Val(1s)	0.753998410	0.108288427 Hartree
294	H30 Ryd(2s)	0.001011198	0.692299950 Hartree
295	H31 Val(1s)	0.763503495	0.102558957 Hartree
296	H31 Ryd(2s)	0.000346258	0.638716409 Hartree
297	H32 Val(1s)	0.787863518	0.076218323 Hartree
298	H32 Ryd(2s)	0.001426676	0.699935249 Hartree
299	H33 Val(1s)	0.787386766	0.076589185 Hartree
300	H33 Ryd(2s)	0.001425375	0.700518589 Hartree

Natural Hybrid Orbitals

Display Range		- / 300
Orbital	Description	Occupancy	Energy	Actions
1	CR(1)C1 s(100.00%)	1.999994291	-10.613859724 Hartree
2	CR(1)O2 s(100.00%)	1.999998514	-19.688559089 Hartree
3	CR(1)C3 s(100.00%)	1.999995581	-10.614687211 Hartree
4	CR(1)C4 s(100.00%)	1.999996821	-10.561546255 Hartree
5	CR(1)C5 s(100.00%)	1.999996929	-10.554641812 Hartree
6	CR(1)C6 s(100.00%)	1.999996722	-10.548318950 Hartree
7	CR(1)C7 s(100.00%)	1.999996703	-10.548474278 Hartree
8	CR(1)C8 s(100.00%)	1.999995821	-10.614551441 Hartree
9	CR(1)O9 s(100.00%)	1.999998352	-19.667730353 Hartree
10	CR(1)C13 s(100.00%)	1.999997275	-10.593526040 Hartree
11	CR(1)N14 s(100.00%)	1.999997795	-14.753516790 Hartree
12	CR(1)C15 s(100.00%)	1.999996450	-10.573093724 Hartree
13	CR(1)C16 s(100.00%)	1.999996841	-10.540224261 Hartree
14	CR(1)C17 s(100.00%)	1.999996878	-10.542293323 Hartree
15	CR(1)C18 s(100.00%)	1.999997036	-10.550887125 Hartree
16	CR(1)C19 s(100.00%)	1.999996884	-10.543806673 Hartree
17	CR(1)C20 s(100.00%)	1.999996824	-10.544658891 Hartree
18	CR(1)C23 s(100.00%)	1.999995191	-10.538804842 Hartree
19	LP(1)O2 s(37.86%)p1.64(62.07%)d0.00(0.07%)	1.959814427	-0.591583144 Hartree
20	LP(2)O2 s(0.00%)p1.00(99.90%)d0.00(0.10%)	1.874565298	-0.401097734 Hartree
21	LP(1)O9 s(43.66%)p1.29(56.25%)d0.00(0.09%)	1.978495066	-0.602758392 Hartree
22	LP(2)O9 s(0.00%)p1.00(99.85%)d0.00(0.15%)	1.870338166	-0.386363814 Hartree
23	LP(1)N14 s(28.09%)p2.56(71.78%)d0.00(0.13%)	1.896149673	-0.359851766 Hartree
24	BD(1)C1(O2) 1s(20.34%)p3.91(79.43%)d0.01(0.23%)	0.627147800	-0.020128190 Hartree
25	BD(1)O2(C1) 2s(29.42%)p2.40(70.45%)d0.00(0.13%)	1.373055399	-0.465497050 Hartree
26	BD(1)C1(H31) 1s(26.27%)p2.80(73.64%)d0.00(0.09%)	1.234734073	-0.161598840 Hartree
27	BD(1)H31(C1) 31s(100.00%)	0.763503032	0.103029714 Hartree
28	BD(1)C1(H32) 1s(26.73%)p2.74(73.18%)d0.00(0.09%)	1.226257000	-0.169498315 Hartree
29	BD(1)H32(C1) 32s(100.00%)	0.787851990	0.078516712 Hartree
30	BD(1)C1(H33) 1s(26.73%)p2.74(73.18%)d0.00(0.09%)	1.226697038	-0.169592787 Hartree
31	BD(1)H33(C1) 33s(100.00%)	0.787375267	0.078885230 Hartree
32	BD(1)O2(C3) 2s(32.67%)p2.06(67.19%)d0.00(0.14%)	1.353245020	-0.464788092 Hartree
33	BD(1)C3(O2) 3s(25.13%)p2.97(74.71%)d0.01(0.16%)	0.663880037	0.002944401 Hartree
34	BD(1)C3(C4) 3s(39.77%)p1.51(60.20%)d0.00(0.04%)	1.006590920	-0.033296299 Hartree
35	BD(1)C4(C3) 4s(34.66%)p1.88(65.27%)d0.00(0.07%)	0.995449850	-0.021075454 Hartree
36	BD(2)C3(C4) 3s(0.00%)p1.00(99.96%)d0.00(0.04%)	1.045509479	-0.130614425 Hartree
37	BD(2)C4(C3) 4s(0.00%)p1.00(99.95%)d0.00(0.05%)	1.052836968	-0.124024261 Hartree
38	BD(1)C3(C8) 3s(34.92%)p1.86(65.03%)d0.00(0.05%)	1.017316107	-0.051807486 Hartree
39	BD(1)C8(C3) 8s(35.72%)p1.80(64.23%)d0.00(0.05%)	0.994846383	-0.042802006 Hartree
40	BD(1)C4(C5) 4s(36.18%)p1.76(63.77%)d0.00(0.05%)	0.992815343	-0.007573580 Hartree
41	BD(1)C5(C4) 5s(33.61%)p1.97(66.35%)d0.00(0.04%)	0.997076643	-0.015523100 Hartree
42	BD(1)C4(H30) 4s(29.10%)p2.43(70.84%)d0.00(0.06%)	1.238065387	-0.145878619 Hartree
43	BD(1)H30(C4) 30s(100.00%)	0.753995172	0.109477289 Hartree
44	BD(1)C5(C6) 5s(34.65%)p1.88(65.31%)d0.00(0.04%)	1.025062703	-0.018685523 Hartree
45	BD(1)C6(C5) 6s(34.84%)p1.87(65.10%)d0.00(0.06%)	0.971206446	0.014718064 Hartree
46	BD(2)C5(C6) 5s(0.00%)p1.00(99.98%)d0.00(0.02%)	1.061081183	-0.107067471 Hartree
47	BD(2)C6(C5) 6s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.970299347	-0.097811135 Hartree
48	BD(1)C5(C13) 5s(31.67%)p2.16(68.29%)d0.00(0.04%)	1.034298567	-0.056796546 Hartree
49	BD(1)C13(C5) 13s(34.61%)p1.89(65.34%)d0.00(0.05%)	0.973500732	-0.030018140 Hartree
50	BD(1)C6(C7) 6s(35.40%)p1.82(64.54%)d0.00(0.06%)	0.987659675	0.003267399 Hartree
51	BD(1)C7(C6) 7s(36.29%)p1.75(63.65%)d0.00(0.05%)	1.000308239	-0.001857785 Hartree
52	BD(1)C6(H12) 6s(29.70%)p2.37(70.24%)d0.00(0.06%)	1.262950292	-0.127823317 Hartree
53	BD(1)H12(C6) 12s(100.00%)	0.731172829	0.160470171 Hartree
54	BD(1)C7(C8) 7s(34.01%)p1.94(65.92%)d0.00(0.07%)	0.983572302	-0.010511833 Hartree
55	BD(1)C8(C7) 8s(38.05%)p1.63(61.92%)d0.00(0.04%)	1.014396256	-0.031831845 Hartree
56	BD(2)C7(C8) 7s(0.00%)p1.00(99.94%)d0.00(0.06%)	1.041634605	-0.110351999 Hartree
57	BD(2)C8(C7) 8s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.975994019	-0.118107961 Hartree
58	BD(1)C7(H11) 7s(29.63%)p2.37(70.32%)d0.00(0.06%)	1.252462000	-0.132366684 Hartree
59	BD(1)H11(C7) 11s(100.00%)	0.738860048	0.143270006 Hartree
60	BD(1)C8(O9) 8s(25.99%)p2.84(73.87%)d0.01(0.14%)	0.679026018	0.000389434 Hartree
61	BD(1)O9(C8) 9s(34.33%)p1.91(65.50%)d0.00(0.17%)	1.332481829	-0.451519914 Hartree
62	BD(1)O9(H10) 9s(21.96%)p3.54(77.81%)d0.01(0.23%)	1.518091295	-0.466608681 Hartree
63	BD(1)H10(O9) 10s(100.00%)	0.484219451	0.202797728 Hartree
64	BD(1)C13(N14) 13s(34.01%)p1.94(65.89%)d0.00(0.10%)	0.807540200	0.088014778 Hartree
65	BD(1)N14(C13) 14s(39.28%)p1.54(60.54%)d0.00(0.18%)	1.188201879	-0.205020458 Hartree
66	BD(2)C13(N14) 13s(0.44%)p99.99(99.40%)d0.36(0.16%)	0.872516577	-0.104743901 Hartree
67	BD(2)N14(C13) 14s(0.40%)p99.99(99.35%)d0.65(0.26%)	1.182003188	-0.181262191 Hartree
68	BD(1)C13(H29) 13s(31.01%)p2.22(68.91%)d0.00(0.08%)	1.216146201	-0.152291150 Hartree
69	BD(1)H29(C13) 29s(100.00%)	0.810302600	0.084192662 Hartree
70	BD(1)N14(C15) 14s(32.20%)p2.10(67.66%)d0.00(0.14%)	1.178752145	-0.215095945 Hartree
71	BD(1)C15(N14) 15s(28.92%)p2.46(71.01%)d0.00(0.07%)	0.824512103	0.009435400 Hartree
72	BD(1)C15(C16) 15s(34.96%)p1.86(65.00%)d0.00(0.04%)	1.016088462	-0.014684234 Hartree
73	BD(1)C16(C15) 16s(34.76%)p1.88(65.18%)d0.00(0.06%)	0.981701820	0.007105857 Hartree
74	BD(1)C15(C20) 15s(35.96%)p1.78(64.00%)d0.00(0.04%)	1.012374869	-0.016726955 Hartree
75	BD(1)C20(C15) 20s(34.79%)p1.87(65.15%)d0.00(0.06%)	0.993708525	-0.000175264 Hartree
76	BD(2)C15(C20) 15s(0.01%)p99.99(99.96%)d2.58(0.03%)	1.006084870	-0.100565491 Hartree
77	BD(2)C20(C15) 20s(0.02%)p99.99(99.94%)d2.31(0.04%)	1.023294754	-0.104511287 Hartree
78	BD(1)C16(C17) 16s(35.95%)p1.78(63.99%)d0.00(0.06%)	0.994440351	0.009331030 Hartree
79	BD(1)C17(C16) 17s(35.71%)p1.80(64.23%)d0.00(0.06%)	0.996239247	0.006710183 Hartree
80	BD(2)C16(C17) 16s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.997768406	-0.096425617 Hartree
81	BD(2)C17(C16) 17s(0.00%)p1.00(99.95%)d0.00(0.05%)	1.004672920	-0.099169038 Hartree
82	BD(1)C16(H28) 16s(29.23%)p2.42(70.71%)d0.00(0.06%)	1.247559687	-0.121447221 Hartree
83	BD(1)H28(C16) 28s(100.00%)	0.745808766	0.147734975 Hartree
84	BD(1)C17(C18) 17s(35.58%)p1.81(64.36%)d0.00(0.06%)	0.986714652	0.009536798 Hartree
85	BD(1)C18(C17) 18s(34.10%)p1.93(65.85%)d0.00(0.05%)	1.011755968	-0.005435512 Hartree
86	BD(1)C17(H27) 17s(28.64%)p2.49(71.30%)d0.00(0.07%)	1.237108075	-0.121757367 Hartree
87	BD(1)H27(C17) 27s(100.00%)	0.758152512	0.135330621 Hartree
88	BD(1)C18(C19) 18s(34.25%)p1.92(65.70%)d0.00(0.05%)	1.010281219	-0.003610426 Hartree
89	BD(1)C19(C18) 19s(35.77%)p1.79(64.18%)d0.00(0.06%)	0.988073631	0.009564127 Hartree
90	BD(2)C18(C19) 18s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.997774850	-0.092021387 Hartree
91	BD(2)C19(C18) 19s(0.00%)p1.00(99.96%)d0.00(0.04%)	1.006816966	-0.100331031 Hartree
92	BD(1)C18(C23) 18s(31.59%)p2.16(68.38%)d0.00(0.03%)	1.015933487	-0.060425622 Hartree
93	BD(1)C23(C18) 23s(28.84%)p2.47(71.11%)d0.00(0.05%)	0.982901995	-0.047993991 Hartree
94	BD(1)C19(C20) 19s(35.57%)p1.81(64.37%)d0.00(0.06%)	0.991931058	0.004800650 Hartree
95	BD(1)C20(C19) 20s(36.09%)p1.77(63.85%)d0.00(0.06%)	0.998763317	0.003109688 Hartree
96	BD(1)C19(H22) 19s(28.60%)p2.49(71.33%)d0.00(0.07%)	1.236313744	-0.123247353 Hartree
97	BD(1)H22(C19) 22s(100.00%)	0.759068080	0.132696655 Hartree
98	BD(1)C20(H21) 20s(29.03%)p2.44(70.91%)d0.00(0.06%)	1.237763944	-0.127049131 Hartree
99	BD(1)H21(C20) 21s(100.00%)	0.755896225	0.130921368 Hartree
100	BD(1)C23(H24) 23s(23.44%)p3.26(76.48%)d0.00(0.08%)	1.240989230	-0.129455841 Hartree
101	BD(1)H24(C23) 24s(100.00%)	0.748169482	0.123702265 Hartree
102	BD(1)C23(H25) 23s(23.83%)p3.19(76.10%)d0.00(0.08%)	1.239535241	-0.128219165 Hartree
103	BD(1)H25(C23) 25s(100.00%)	0.754051872	0.122248590 Hartree
104	BD(1)C23(H26) 23s(23.88%)p3.18(76.04%)d0.00(0.08%)	1.238573485	-0.127857553 Hartree
105	BD(1)H26(C23) 26s(100.00%)	0.755744610	0.121655156 Hartree
106	RY(1)C1 s(18.69%)p3.12(58.30%)d1.23(23.01%)	0.002308968	1.182867266 Hartree
107	RY(2)C1 s(2.79%)p34.29(95.58%)d0.58(1.63%)	0.001609411	0.727836076 Hartree
108	RY(3)C1 s(0.00%)p1.00(5.03%)d18.88(94.97%)	0.001439496	1.989828280 Hartree
109	RY(4)C1 s(9.64%)p1.57(15.14%)d7.81(75.22%)	0.000302230	1.827396258 Hartree
110	RY(5)C1 s(0.16%)p99.99(91.77%)d49.58(8.07%)	0.000282502	0.710928778 Hartree
111	RY(6)C1 s(13.18%)p0.11(1.41%)d6.48(85.41%)	0.000024622	2.244119239 Hartree
112	RY(7)C1 s(56.15%)p0.11(5.93%)d0.68(37.92%)	0.000004060	2.869050881 Hartree
113	RY(8)C1 s(46.86%)p0.38(18.03%)d0.75(35.11%)	0.000002148	1.378849989 Hartree
114	RY(9)C1 s(0.01%)p1.00(2.07%)d47.20(97.92%)	0.000001021	1.957606911 Hartree
115	RY(10)C1 s(52.45%)p0.14(7.31%)d0.77(40.24%)	0.000000271	2.934781159 Hartree
116	RY(1)O2 s(0.01%)p99.99(97.48%)d99.99(2.51%)	0.002941947	1.116197245 Hartree
117	RY(2)O2 s(20.50%)p3.50(71.66%)d0.38(7.84%)	0.002780761	1.251960277 Hartree
118	RY(3)O2 s(13.86%)p5.23(72.52%)d0.98(13.62%)	0.000584655	1.885816904 Hartree
119	RY(4)O2 s(0.00%)p1.00(0.17%)d99.99(99.82%)	0.000211959	2.007143751 Hartree
120	RY(5)O2 s(65.96%)p0.47(31.15%)d0.04(2.88%)	0.000180170	2.311628406 Hartree
121	RY(6)O2 s(8.80%)p1.50(13.20%)d8.86(77.99%)	0.000081696	2.301325827 Hartree
122	RY(7)O2 s(58.55%)p0.00(0.26%)d0.70(41.19%)	0.000035549	3.050946249 Hartree
123	RY(8)O2 s(20.84%)p0.33(6.89%)d3.47(72.27%)	0.000016631	2.620010492 Hartree
124	RY(9)O2 s(11.53%)p0.40(4.62%)d7.28(83.86%)	0.000013036	2.513723762 Hartree
125	RY(10)O2 s(0.00%)p1.00(2.43%)d40.13(97.57%)	0.000009354	1.924080652 Hartree
126	RY(1)C3 s(1.73%)p55.92(96.56%)d0.99(1.71%)	0.005729124	1.047458962 Hartree
127	RY(2)C3 s(0.74%)p99.99(83.97%)d20.78(15.29%)	0.003937524	1.326127258 Hartree
128	RY(3)C3 s(0.00%)p1.00(4.80%)d19.83(95.20%)	0.002042159	1.954296369 Hartree
129	RY(4)C3 s(54.87%)p0.05(2.70%)d0.77(42.43%)	0.001124451	1.840626420 Hartree
130	RY(5)C3 s(0.01%)p1.00(40.74%)d1.45(59.26%)	0.000783625	1.459984713 Hartree
131	RY(6)C3 s(0.00%)p1.00(54.50%)d0.83(45.50%)	0.000483594	1.260797860 Hartree
132	RY(7)C3 s(51.54%)p0.00(0.20%)d0.94(48.26%)	0.000261040	1.949771619 Hartree
133	RY(8)C3 s(15.17%)p0.84(12.82%)d4.75(72.01%)	0.000124317	2.477131501 Hartree
134	RY(9)C3 s(75.32%)p0.05(3.62%)d0.28(21.06%)	0.000065663	3.807721649 Hartree
135	RY(10)C3 s(0.81%)p0.25(0.20%)d99.99(98.99%)	0.000004783	2.396159739 Hartree
136	RY(1)C4 s(0.38%)p99.99(92.82%)d17.84(6.80%)	0.003559137	1.313422538 Hartree
137	RY(2)C4 s(1.29%)p75.46(97.50%)d0.94(1.21%)	0.002419416	0.943285884 Hartree
138	RY(3)C4 s(0.00%)p1.00(47.72%)d1.10(52.28%)	0.000839690	1.356571202 Hartree
139	RY(4)C4 s(0.01%)p1.00(49.96%)d1.00(50.04%)	0.000639952	1.306595155 Hartree
140	RY(5)C4 s(93.60%)p0.02(2.23%)d0.04(4.18%)	0.000212131	1.213269907 Hartree
141	RY(6)C4 s(6.21%)p0.12(0.75%)d14.99(93.04%)	0.000047659	2.395428131 Hartree
142	RY(7)C4 s(77.89%)p0.03(2.04%)d0.26(20.07%)	0.000035818	3.729032843 Hartree
143	RY(8)C4 s(0.10%)p24.78(2.38%)d99.99(97.53%)	0.000020867	1.840174944 Hartree
144	RY(9)C4 s(19.71%)p0.24(4.72%)d3.83(75.57%)	0.000018616	2.751156034 Hartree
145	RY(10)C4 s(0.89%)p0.07(0.07%)d99.99(99.05%)	0.000002607	2.377928851 Hartree
146	RY(1)C5 s(0.92%)p99.99(96.94%)d2.31(2.14%)	0.006140387	1.257078499 Hartree
147	RY(2)C5 s(1.00%)p93.16(93.46%)d5.51(5.53%)	0.004711548	1.355210673 Hartree
148	RY(3)C5 s(0.64%)p99.99(88.95%)d16.25(10.40%)	0.001096703	0.883621168 Hartree
149	RY(4)C5 s(0.44%)p9.08(4.02%)d99.99(95.53%)	0.000683072	1.934802312 Hartree
150	RY(5)C5 s(91.42%)p0.02(1.44%)d0.08(7.14%)	0.000507621	1.206021516 Hartree
151	RY(6)C5 s(0.97%)p6.79(6.62%)d94.78(92.41%)	0.000287367	1.864123991 Hartree
152	RY(7)C5 s(56.49%)p0.04(2.08%)d0.73(41.43%)	0.000103956	3.483585080 Hartree
153	RY(8)C5 s(7.88%)p0.32(2.49%)d11.38(89.63%)	0.000085609	2.506684450 Hartree
154	RY(9)C5 s(39.58%)p0.10(3.98%)d1.43(56.44%)	0.000029845	3.102062982 Hartree
155	RY(10)C5 s(0.71%)p0.12(0.09%)d99.99(99.20%)	0.000005085	2.374380699 Hartree
156	RY(1)C6 s(0.11%)p99.99(94.32%)d48.81(5.57%)	0.004586714	1.303682898 Hartree
157	RY(2)C6 s(0.31%)p99.99(98.02%)d5.33(1.67%)	0.003028814	0.850838828 Hartree
158	RY(3)C6 s(0.00%)p1.00(30.98%)d2.23(69.02%)	0.000835256	1.581845746 Hartree
159	RY(4)C6 s(0.02%)p99.99(63.13%)d99.99(36.85%)	0.000438351	1.138462774 Hartree
160	RY(5)C6 s(71.48%)p0.01(1.05%)d0.38(27.47%)	0.000137137	1.504433438 Hartree
161	RY(6)C6 s(27.01%)p0.03(0.68%)d2.68(72.31%)	0.000070397	2.105672791 Hartree
162	RY(7)C6 s(58.99%)p0.05(2.89%)d0.65(38.12%)	0.000029166	3.299869060 Hartree
163	RY(8)C6 s(41.17%)p0.07(3.06%)d1.35(55.77%)	0.000024349	3.139641676 Hartree
164	RY(9)C6 s(0.09%)p66.53(5.92%)d99.99(93.99%)	0.000006375	1.822933419 Hartree
165	RY(10)C6 s(0.87%)p0.15(0.13%)d99.99(99.00%)	0.000004947	2.395177946 Hartree
166	RY(1)C7 s(0.05%)p99.99(94.32%)d99.99(5.62%)	0.004342882	1.276792314 Hartree
167	RY(2)C7 s(0.04%)p99.99(97.98%)d53.55(1.98%)	0.002932223	0.845017399 Hartree
168	RY(3)C7 s(0.00%)p1.00(53.41%)d0.87(46.59%)	0.000604823	1.290473243 Hartree
169	RY(4)C7 s(0.00%)p1.00(45.52%)d1.20(54.47%)	0.000601434	1.386020344 Hartree
170	RY(5)C7 s(98.39%)p0.00(0.09%)d0.02(1.52%)	0.000333905	1.165391574 Hartree
171	RY(6)C7 s(3.82%)p0.53(2.01%)d24.63(94.17%)	0.000083375	2.418291595 Hartree
172	RY(7)C7 s(94.15%)p0.00(0.04%)d0.06(5.81%)	0.000035462	4.130734544 Hartree
173	RY(8)C7 s(0.06%)p17.34(1.12%)d99.99(98.82%)	0.000028615	1.851291325 Hartree
174	RY(9)C7 s(3.45%)p1.37(4.73%)d26.63(91.83%)	0.000006319	2.247441241 Hartree
175	RY(10)C7 s(0.10%)p9.39(0.94%)d99.99(98.96%)	0.000002822	2.421631822 Hartree
176	RY(1)C8 s(2.23%)p43.18(96.27%)d0.67(1.50%)	0.006283171	0.991592660 Hartree
177	RY(2)C8 s(0.52%)p99.99(93.09%)d12.29(6.39%)	0.003878264	1.102737509 Hartree
178	RY(3)C8 s(0.00%)p1.00(0.05%)d99.99(99.95%)	0.002409289	2.015728121 Hartree
179	RY(4)C8 s(38.70%)p0.04(1.44%)d1.55(59.86%)	0.001398002	2.068147443 Hartree
180	RY(5)C8 s(0.00%)p1.00(10.63%)d8.40(89.37%)	0.000688419	1.827764795 Hartree
181	RY(6)C8 s(26.98%)p0.24(6.41%)d2.47(66.60%)	0.000542873	2.085093597 Hartree
182	RY(7)C8 s(0.00%)p1.00(89.35%)d0.12(10.65%)	0.000341805	0.838780016 Hartree
183	RY(8)C8 s(41.38%)p0.03(1.33%)d1.38(57.29%)	0.000160894	2.012384989 Hartree
184	RY(9)C8 s(89.32%)p0.02(1.35%)d0.10(9.33%)	0.000048491	3.983656966 Hartree
185	RY(10)C8 s(1.11%)p0.08(0.09%)d88.80(98.80%)	0.000003451	2.388774232 Hartree
186	RY(1)O9 s(0.00%)p1.00(93.08%)d0.07(6.92%)	0.001859606	1.066387929 Hartree
187	RY(2)O9 s(3.69%)p24.87(91.70%)d1.25(4.62%)	0.001418778	1.263669152 Hartree
188	RY(3)O9 s(27.94%)p2.44(68.08%)d0.14(3.98%)	0.000100625	1.665790882 Hartree
189	RY(4)O9 s(32.32%)p0.24(7.84%)d1.85(59.84%)	0.000044914	2.362810651 Hartree
190	RY(5)O9 s(49.48%)p0.56(27.59%)d0.46(22.93%)	0.000032939	1.767041535 Hartree
191	RY(6)O9 s(2.54%)p0.16(0.41%)d38.21(97.05%)	0.000013379	1.897543889 Hartree
192	RY(7)O9 s(29.93%)p0.10(2.87%)d2.24(67.20%)	0.000013467	2.713466475 Hartree
193	RY(8)O9 s(31.76%)p0.06(1.75%)d2.09(66.50%)	0.000004090	2.721526010 Hartree
194	RY(9)O9 s(0.12%)p59.26(6.85%)d99.99(93.03%)	0.000003255	1.955342153 Hartree
195	RY(10)O9 s(22.27%)p0.02(0.42%)d3.47(77.31%)	0.000001591	2.929230180 Hartree
196	RY(1)H10 s(100.00%)	0.001912023	0.710527265 Hartree
197	RY(1)H11 s(100.00%)	0.000911825	0.635144917 Hartree
198	RY(1)H12 s(100.00%)	0.001189895	0.671107561 Hartree
199	RY(1)C13 s(23.22%)p2.98(69.10%)d0.33(7.68%)	0.005991855	1.094246213 Hartree
200	RY(2)C13 s(28.03%)p1.77(49.54%)d0.80(22.43%)	0.004440207	1.404916712 Hartree
201	RY(3)C13 s(10.79%)p7.55(81.43%)d0.72(7.78%)	0.001457934	1.013205596 Hartree
202	RY(4)C13 s(3.39%)p4.83(16.40%)d23.64(80.21%)	0.001043106	1.831858834 Hartree
203	RY(5)C13 s(11.02%)p5.61(61.84%)d2.46(27.13%)	0.000589649	1.280297288 Hartree
204	RY(6)C13 s(34.88%)p0.18(6.23%)d1.69(58.89%)	0.000121161	1.995104780 Hartree
205	RY(7)C13 s(34.90%)p0.35(12.25%)d1.51(52.84%)	0.000065622	2.624877711 Hartree
206	RY(8)C13 s(38.70%)p0.04(1.66%)d1.54(59.64%)	0.000023350	3.127370777 Hartree
207	RY(9)C13 s(11.33%)p0.12(1.33%)d7.71(87.34%)	0.000010190	2.173832628 Hartree
208	RY(10)C13 s(3.65%)p0.18(0.67%)d26.23(95.68%)	0.000003127	2.275430053 Hartree
209	RY(1)N14 s(8.81%)p10.05(88.55%)d0.30(2.64%)	0.005347222	1.004618032 Hartree
210	RY(2)N14 s(0.76%)p99.99(96.71%)d3.31(2.53%)	0.002450242	1.175470069 Hartree
211	RY(3)N14 s(0.65%)p99.99(84.69%)d22.52(14.66%)	0.000943318	1.202965579 Hartree
212	RY(4)N14 s(15.29%)p0.78(11.96%)d4.76(72.75%)	0.000307300	1.947122991 Hartree
213	RY(5)N14 s(43.63%)p0.26(11.25%)d1.03(45.12%)	0.000145128	1.924996069 Hartree
214	RY(6)N14 s(20.98%)p0.14(2.83%)d3.63(76.18%)	0.000057080	2.279626899 Hartree
215	RY(7)N14 s(12.01%)p0.28(3.36%)d7.05(84.63%)	0.000023503	2.277947422 Hartree
216	RY(8)N14 s(17.31%)p0.02(0.31%)d4.76(82.38%)	0.000012835	2.462944966 Hartree
217	RY(9)N14 s(63.70%)p0.01(0.68%)d0.56(35.62%)	0.000004391	3.265340078 Hartree
218	RY(10)N14 s(16.88%)p0.02(0.33%)d4.90(82.79%)	0.000002084	2.522210287 Hartree
219	RY(1)C15 s(1.60%)p54.87(87.92%)d6.54(10.48%)	0.006515397	1.272957420 Hartree
220	RY(2)C15 s(0.84%)p99.99(98.31%)d1.02(0.85%)	0.005236416	1.041465624 Hartree
221	RY(3)C15 s(32.22%)p1.36(43.75%)d0.75(24.03%)	0.001883990	1.306183703 Hartree
222	RY(4)C15 s(21.86%)p0.95(20.70%)d2.63(57.44%)	0.001213166	1.779764641 Hartree
223	RY(5)C15 s(0.98%)p11.74(11.53%)d89.08(87.49%)	0.000726547	1.883656377 Hartree
224	RY(6)C15 s(2.90%)p8.54(24.73%)d25.00(72.38%)	0.000579392	1.791836554 Hartree
225	RY(7)C15 s(39.58%)p0.15(5.89%)d1.38(54.52%)	0.000187342	1.836145995 Hartree
226	RY(8)C15 s(53.68%)p0.06(3.46%)d0.80(42.86%)	0.000065012	3.190567885 Hartree
227	RY(9)C15 s(45.74%)p0.08(3.63%)d1.11(50.63%)	0.000039990	3.284512000 Hartree
228	RY(10)C15 s(0.74%)p0.18(0.14%)d99.99(99.12%)	0.000000774	2.392550773 Hartree
229	RY(1)C16 s(0.05%)p99.99(94.86%)d99.99(5.09%)	0.004913061	1.284520988 Hartree
230	RY(2)C16 s(0.14%)p99.99(98.32%)d10.92(1.54%)	0.002940841	0.809365629 Hartree
231	RY(3)C16 s(0.13%)p99.99(81.36%)d99.99(18.51%)	0.000657237	0.918085280 Hartree
232	RY(4)C16 s(0.01%)p99.99(15.90%)d99.99(84.09%)	0.000583692	1.790014654 Hartree
233	RY(5)C16 s(93.10%)p0.00(0.17%)d0.07(6.73%)	0.000308914	1.205335516 Hartree
234	RY(6)C16 s(5.67%)p0.32(1.83%)d16.32(92.51%)	0.000088178	2.328605569 Hartree
235	RY(7)C16 s(97.47%)p0.00(0.18%)d0.02(2.35%)	0.000035484	4.170060323 Hartree
236	RY(8)C16 s(0.01%)p1.00(2.65%)d36.70(97.34%)	0.000016621	1.858851935 Hartree
237	RY(9)C16 s(2.51%)p1.92(4.82%)d36.90(92.67%)	0.000009369	2.310334428 Hartree
238	RY(10)C16 s(0.97%)p0.08(0.08%)d99.99(98.95%)	0.000001070	2.413214884 Hartree
239	RY(1)C17 s(0.05%)p99.99(92.96%)d99.99(6.99%)	0.004603047	1.317570485 Hartree
240	RY(2)C17 s(0.10%)p99.99(98.02%)d19.17(1.88%)	0.002255417	0.813756992 Hartree
241	RY(3)C17 s(0.04%)p99.99(6.05%)d99.99(93.92%)	0.000660737	1.919695570 Hartree
242	RY(4)C17 s(2.65%)p31.86(84.58%)d4.81(12.77%)	0.000431547	0.835191361 Hartree
243	RY(5)C17 s(80.52%)p0.04(2.85%)d0.21(16.63%)	0.000165777	1.288434746 Hartree
244	RY(6)C17 s(17.74%)p0.08(1.48%)d4.55(80.77%)	0.000084281	2.222215287 Hartree
245	RY(7)C17 s(93.26%)p0.01(0.49%)d0.07(6.24%)	0.000027914	4.096971860 Hartree
246	RY(8)C17 s(3.52%)p1.79(6.29%)d25.64(90.20%)	0.000006481	2.240823711 Hartree
247	RY(9)C17 s(0.84%)p2.78(2.33%)d99.99(96.83%)	0.000003577	2.171355732 Hartree
248	RY(10)C17 s(1.35%)p3.80(5.11%)d69.52(93.54%)	0.000001998	2.142917537 Hartree
249	RY(1)C18 s(2.64%)p34.37(90.86%)d2.46(6.50%)	0.004363975	1.360941965 Hartree
250	RY(2)C18 s(0.00%)p1.00(96.25%)d0.04(3.75%)	0.003108332	1.023790296 Hartree
251	RY(3)C18 s(1.19%)p75.55(90.13%)d7.27(8.68%)	0.001860100	0.856938127 Hartree
252	RY(4)C18 s(0.01%)p13.41(0.14%)d99.99(99.85%)	0.000630911	1.991515935 Hartree
253	RY(5)C18 s(0.15%)p25.78(3.80%)d99.99(96.05%)	0.000236887	2.420791516 Hartree
254	RY(6)C18 s(50.51%)p0.12(6.26%)d0.86(43.23%)	0.000165157	1.547009778 Hartree
255	RY(7)C18 s(27.27%)p0.12(3.32%)d2.55(69.41%)	0.000140834	1.787235820 Hartree
256	RY(8)C18 s(92.16%)p0.01(1.24%)d0.07(6.60%)	0.000054422	3.871883397 Hartree
257	RY(9)C18 s(24.40%)p0.30(7.28%)d2.80(68.32%)	0.000011512	2.322860886 Hartree
258	RY(10)C18 s(1.72%)p0.48(0.83%)d56.58(97.45%)	0.000002044	2.384036021 Hartree
259	RY(1)C19 s(0.03%)p99.99(93.16%)d99.99(6.80%)	0.004721852	1.309124700 Hartree
260	RY(2)C19 s(0.11%)p99.99(98.15%)d15.40(1.74%)	0.002370970	0.807830861 Hartree
261	RY(3)C19 s(0.15%)p13.02(1.92%)d99.99(97.93%)	0.000660828	1.973647801 Hartree
262	RY(4)C19 s(4.55%)p19.33(88.01%)d1.63(7.44%)	0.000507475	0.775018609 Hartree
263	RY(5)C19 s(81.35%)p0.05(4.18%)d0.18(14.47%)	0.000216750	1.266716088 Hartree
264	RY(6)C19 s(13.60%)p0.12(1.64%)d6.23(84.76%)	0.000074580	2.230427571 Hartree
265	RY(7)C19 s(89.82%)p0.01(0.79%)d0.10(9.40%)	0.000032005	4.000699122 Hartree
266	RY(8)C19 s(7.91%)p0.75(5.95%)d10.89(86.14%)	0.000008561	2.363522046 Hartree
267	RY(9)C19 s(1.64%)p3.49(5.71%)d56.66(92.66%)	0.000004108	2.002407166 Hartree
268	RY(10)C19 s(0.90%)p0.72(0.65%)d99.99(98.44%)	0.000002503	2.294551206 Hartree
269	RY(1)C20 s(0.10%)p99.99(92.96%)d67.13(6.94%)	0.003921108	1.295992120 Hartree
270	RY(2)C20 s(0.45%)p99.99(98.35%)d2.66(1.20%)	0.002544530	0.845736647 Hartree
271	RY(3)C20 s(17.60%)p1.10(19.33%)d3.58(63.07%)	0.000682128	1.597605851 Hartree
272	RY(4)C20 s(2.81%)p22.78(63.93%)d11.85(33.26%)	0.000587979	1.124410033 Hartree
273	RY(5)C20 s(71.92%)p0.18(13.30%)d0.21(14.78%)	0.000393109	1.205205709 Hartree
274	RY(6)C20 s(11.08%)p0.08(0.92%)d7.95(88.01%)	0.000071899	2.427704340 Hartree
275	RY(7)C20 s(87.05%)p0.00(0.12%)d0.15(12.83%)	0.000030383	3.985621119 Hartree
276	RY(8)C20 s(5.39%)p1.06(5.69%)d16.51(88.93%)	0.000022667	2.280199864 Hartree
277	RY(9)C20 s(1.72%)p3.09(5.32%)d54.10(92.96%)	0.000009942	1.962067370 Hartree
278	RY(10)C20 s(1.95%)p0.12(0.24%)d50.13(97.81%)	0.000001061	2.387003393 Hartree
279	RY(1)H21 s(100.00%)	0.001021492	0.657621036 Hartree
280	RY(1)H22 s(100.00%)	0.000902052	0.636812071 Hartree
281	RY(1)C23 s(0.00%)p1.00(94.79%)d0.05(5.21%)	0.002719058	0.801113563 Hartree
282	RY(2)C23 s(0.06%)p99.99(46.25%)d99.99(53.69%)	0.000630385	1.475759598 Hartree
283	RY(3)C23 s(23.59%)p3.15(74.38%)d0.09(2.03%)	0.000230829	0.778954551 Hartree
284	RY(4)C23 s(15.45%)p2.57(39.73%)d2.90(44.81%)	0.000029038	1.818673992 Hartree
285	RY(5)C23 s(47.42%)p0.45(21.13%)d0.66(31.45%)	0.000012090	1.629355511 Hartree
286	RY(6)C23 s(9.79%)p0.33(3.19%)d8.89(87.02%)	0.000009843	2.172934573 Hartree
287	RY(7)C23 s(55.11%)p0.30(16.37%)d0.52(28.52%)	0.000006920	2.417699945 Hartree
288	RY(8)C23 s(4.79%)p0.72(3.46%)d19.17(91.76%)	0.000001763	2.079206558 Hartree
289	RY(9)C23 s(40.72%)p0.02(0.80%)d1.44(58.48%)	0.000002231	2.902582277 Hartree
290	RY(10)C23 s(3.08%)p0.05(0.17%)d31.42(96.76%)	0.000000249	2.089498431 Hartree
291	RY(1)H24 s(100.00%)	0.000806876	0.710627482 Hartree
292	RY(1)H25 s(100.00%)	0.000710696	0.717420521 Hartree
293	RY(1)H26 s(100.00%)	0.000698753	0.718373014 Hartree
294	RY(1)H27 s(100.00%)	0.000861734	0.637465324 Hartree
295	RY(1)H28 s(100.00%)	0.001137038	0.634543103 Hartree
296	RY(1)H29 s(100.00%)	0.003171780	0.701081739 Hartree
297	RY(1)H30 s(100.00%)	0.001014436	0.691111088 Hartree
298	RY(1)H31 s(100.00%)	0.000346721	0.638245652 Hartree
299	RY(1)H32 s(100.00%)	0.001438203	0.697636860 Hartree
300	RY(1)H33 s(100.00%)	0.001436873	0.698222544 Hartree

Natural Bond Orbitals

Display Range		- / 300
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	CR(1)C1	2430	1.999994291	-10.613859724 Hartree
2	CR(1)O2	2431	1.999998514	-19.688559089 Hartree
3	CR(1)C3	2432	1.999995581	-10.614687211 Hartree
4	CR(1)C4	2433	1.999996821	-10.561546255 Hartree
5	CR(1)C5	2434	1.999996929	-10.554641812 Hartree
6	CR(1)C6	2435	1.999996722	-10.548318950 Hartree
7	CR(1)C7	2436	1.999996703	-10.548474278 Hartree
8	CR(1)C8	2437	1.999995821	-10.614551441 Hartree
9	CR(1)O9	2438	1.999998352	-19.667730353 Hartree
10	CR(1)C13	2439	1.999997275	-10.593526040 Hartree
11	CR(1)N14	2440	1.999997795	-14.753516790 Hartree
12	CR(1)C15	2441	1.999996450	-10.573093724 Hartree
13	CR(1)C16	2442	1.999996841	-10.540224261 Hartree
14	CR(1)C17	2443	1.999996878	-10.542293323 Hartree
15	CR(1)C18	2444	1.999997036	-10.550887125 Hartree
16	CR(1)C19	2445	1.999996884	-10.543806673 Hartree
17	CR(1)C20	2446	1.999996824	-10.544658891 Hartree
18	CR(1)C23	2447	1.999995191	-10.538804842 Hartree
19	LP(1)O2	2448	1.959814427	-0.591583144 Hartree
20	LP(2)O2	2449	1.874565298	-0.401097734 Hartree
21	LP(1)O9	2450	1.978495066	-0.602758392 Hartree
22	LP(2)O9	2451	1.870338166	-0.386363814 Hartree
23	LP(1)N14	2452	1.896149673	-0.359851766 Hartree
24	BD(1)C1-O2	2453, 2454	1.992980555	-0.841946664 Hartree
25	BD(1)C1-H31	2455, 2456	1.991200726	-0.583892111 Hartree
26	BD(1)C1-H32	2457, 2458	1.996121453	-0.585138225 Hartree
27	BD(1)C1-H33	2459, 2460	1.996127112	-0.585031038 Hartree
28	BD(1)O2-C3	2461, 2462	1.990826511	-0.891026452 Hartree
29	BD(1)C3-C4	2463, 2464	1.978595193	-0.694525370 Hartree
30	BD(2)C3-C4	2465, 2466	1.717302903	-0.311479429 Hartree
31	BD(1)C3-C8	2467, 2468	1.975105353	-0.696600031 Hartree
32	BD(1)C4-C5	2469, 2470	1.970698072	-0.658743981 Hartree
33	BD(1)C4-H30	2471, 2472	1.978046053	-0.568820840 Hartree
34	BD(1)C5-C6	2473, 2474	1.974114691	-0.654292589 Hartree
35	BD(2)C5-C6	2475, 2476	1.648674507	-0.279943302 Hartree
36	BD(1)C5-C13	2477, 2478	1.975764352	-0.640550521 Hartree
37	BD(1)C6-C7	2479, 2480	1.976884316	-0.659223788 Hartree
38	BD(1)C6-H12	2481, 2482	1.980469728	-0.542859022 Hartree
39	BD(1)C7-C8	2483, 2484	1.975949620	-0.681800091 Hartree
40	BD(2)C7-C8	2485, 2486	1.644589243	-0.293864123 Hartree
41	BD(1)C7-H11	2487, 2488	1.979543489	-0.551321253 Hartree
42	BD(1)C8-O9	2489, 2490	1.994305918	-0.901377372 Hartree
43	BD(1)O9-H10	2491, 2492	1.987808202	-0.773188368 Hartree
44	BD(1)C13-N14	2493, 2494	1.987310802	-0.823601881 Hartree
45	BD(2)C13-N14	2495, 2496	1.923743087	-0.379106236 Hartree
46	BD(1)C13-H29	2497, 2498	1.987715710	-0.570711307 Hartree
47	BD(1)N14-C15	2499, 2500	1.979750298	-0.730313300 Hartree
48	BD(1)C15-C16	2501, 2502	1.974060714	-0.653001878 Hartree
49	BD(1)C15-C20	2503, 2504	1.976248611	-0.658120984 Hartree
50	BD(2)C15-C20	2505, 2506	1.647018824	-0.279777874 Hartree
51	BD(1)C16-C17	2507, 2508	1.978386158	-0.652052025 Hartree
52	BD(2)C16-C17	2509, 2510	1.685756546	-0.278974827 Hartree
53	BD(1)C16-H28	2511, 2512	1.981389085	-0.541268397 Hartree
54	BD(1)C17-C18	2513, 2514	1.976295210	-0.648063454 Hartree
55	BD(1)C17-H27	2515, 2516	1.982561671	-0.544340266 Hartree
56	BD(1)C18-C19	2517, 2518	1.976421434	-0.650080878 Hartree
57	BD(2)C18-C19	2519, 2520	1.656360661	-0.275272624 Hartree
58	BD(1)C18-C23	2521, 2522	1.984077844	-0.601123337 Hartree
59	BD(1)C19-C20	2523, 2524	1.977508186	-0.652725249 Hartree
60	BD(1)C19-H22	2525, 2526	1.982456085	-0.545835317 Hartree
61	BD(1)C20-H21	2527, 2528	1.980993640	-0.549738827 Hartree
62	BD(1)C23-H24	2529, 2530	1.979874629	-0.531788184 Hartree
63	BD(1)C23-H25	2531, 2532	1.988178395	-0.534857015 Hartree
64	BD(1)C23-H26	2533, 2534	1.989374397	-0.535373869 Hartree
65	BD*(1)C1-O2		0.007222645	0.356321424 Hartree
66	BD*(1)C1-H31		0.007036379	0.525322985 Hartree
67	BD*(1)C1-H32		0.017987537	0.494156622 Hartree
68	BD*(1)C1-H33		0.017945193	0.494323480 Hartree
69	BD*(1)O2-C3		0.026298547	0.429182762 Hartree
70	BD*(1)C3-C4		0.023445577	0.640153616 Hartree
71	BD*(2)C3-C4		0.381043544	0.056840743 Hartree
72	BD*(1)C3-C8		0.037057137	0.601990539 Hartree
73	BD*(1)C4-C5		0.019193914	0.635647302 Hartree
74	BD*(1)C4-H30		0.014014506	0.532419510 Hartree
75	BD*(1)C5-C6		0.022154458	0.650325130 Hartree
76	BD*(2)C5-C6		0.382706024	0.075064697 Hartree
77	BD*(1)C5-C13		0.032034946	0.553735834 Hartree
78	BD*(1)C6-C7		0.011083598	0.660633402 Hartree
79	BD*(1)C6-H12		0.013653394	0.575505876 Hartree
80	BD*(1)C7-C8		0.022018939	0.639456413 Hartree
81	BD*(2)C7-C8		0.373039381	0.065404163 Hartree
82	BD*(1)C7-H11		0.011778559	0.562224576 Hartree
83	BD*(1)C8-O9		0.017201928	0.450246892 Hartree
84	BD*(1)O9-H10		0.014502544	0.509377415 Hartree
85	BD*(1)C13-N14		0.008431277	0.706596201 Hartree
86	BD*(2)C13-N14		0.130776678	0.093100145 Hartree
87	BD*(1)C13-H29		0.038733091	0.502612819 Hartree
88	BD*(1)N14-C15		0.023513951	0.524652755 Hartree
89	BD*(1)C15-C16		0.023729568	0.645423501 Hartree
90	BD*(1)C15-C20		0.029834783	0.641218765 Hartree
91	BD*(2)C15-C20		0.382360800	0.074701097 Hartree
92	BD*(1)C16-C17		0.012293440	0.668093238 Hartree
93	BD*(2)C16-C17		0.316684780	0.083380172 Hartree
94	BD*(1)C16-H28		0.011979369	0.567556150 Hartree
95	BD*(1)C17-C18		0.022175409	0.652164741 Hartree
96	BD*(1)C17-H27		0.012698916	0.557913520 Hartree
97	BD*(1)C18-C19		0.021933415	0.656034579 Hartree
98	BD*(2)C18-C19		0.348231155	0.082920206 Hartree
99	BD*(1)C18-C23		0.014757638	0.492703724 Hartree
100	BD*(1)C19-C20		0.013186189	0.660635587 Hartree
101	BD*(1)C19-H22		0.012925739	0.555284620 Hartree
102	BD*(1)C20-H21		0.012666529	0.553611064 Hartree
103	BD*(1)C23-H24		0.009284083	0.526034608 Hartree
104	BD*(1)C23-H25		0.005408718	0.528886440 Hartree
105	BD*(1)C23-H26		0.004943698	0.529171472 Hartree
106	RY(1)C1	2535	0.002308968	1.182867266 Hartree
107	RY(2)C1	2536	0.001609411	0.727836076 Hartree
108	RY(3)C1	2537	0.001439496	1.989828280 Hartree
109	RY(4)C1	2538	0.000302230	1.827396258 Hartree
110	RY(5)C1	2539	0.000282502	0.710928778 Hartree
111	RY(6)C1	2540	0.000024622	2.244119239 Hartree
112	RY(7)C1	2541	0.000004060	2.869050881 Hartree
113	RY(8)C1	2542	0.000002148	1.378849989 Hartree
114	RY(9)C1	2543	0.000001021	1.957606911 Hartree
115	RY(10)C1	2544	0.000000271	2.934781159 Hartree
116	RY(1)O2	2545	0.002941947	1.116197245 Hartree
117	RY(2)O2	2546	0.002780761	1.251960277 Hartree
118	RY(3)O2	2547	0.000584655	1.885816904 Hartree
119	RY(4)O2	2548	0.000211959	2.007143751 Hartree
120	RY(5)O2	2549	0.000180170	2.311628406 Hartree
121	RY(6)O2	2550	0.000081696	2.301325827 Hartree
122	RY(7)O2	2551	0.000035549	3.050946249 Hartree
123	RY(8)O2	2552	0.000016631	2.620010492 Hartree
124	RY(9)O2	2553	0.000013036	2.513723762 Hartree
125	RY(10)O2	2554	0.000009354	1.924080652 Hartree
126	RY(1)C3	2555	0.005729124	1.047458962 Hartree
127	RY(2)C3	2556	0.003937524	1.326127258 Hartree
128	RY(3)C3	2557	0.002042159	1.954296369 Hartree
129	RY(4)C3	2558	0.001124451	1.840626420 Hartree
130	RY(5)C3	2559	0.000783625	1.459984713 Hartree
131	RY(6)C3	2560	0.000483594	1.260797860 Hartree
132	RY(7)C3	2561	0.000261040	1.949771619 Hartree
133	RY(8)C3	2562	0.000124317	2.477131501 Hartree
134	RY(9)C3	2563	0.000065663	3.807721649 Hartree
135	RY(10)C3	2564	0.000004783	2.396159739 Hartree
136	RY(1)C4	2565	0.003559137	1.313422538 Hartree
137	RY(2)C4	2566	0.002419416	0.943285884 Hartree
138	RY(3)C4	2567	0.000839690	1.356571202 Hartree
139	RY(4)C4	2568	0.000639952	1.306595155 Hartree
140	RY(5)C4	2569	0.000212131	1.213269907 Hartree
141	RY(6)C4	2570	0.000047659	2.395428131 Hartree
142	RY(7)C4	2571	0.000035818	3.729032843 Hartree
143	RY(8)C4	2572	0.000020867	1.840174944 Hartree
144	RY(9)C4	2573	0.000018616	2.751156034 Hartree
145	RY(10)C4	2574	0.000002607	2.377928851 Hartree
146	RY(1)C5	2575	0.006140387	1.257078499 Hartree
147	RY(2)C5	2576	0.004711548	1.355210673 Hartree
148	RY(3)C5	2577	0.001096703	0.883621168 Hartree
149	RY(4)C5	2578	0.000683072	1.934802312 Hartree
150	RY(5)C5	2579	0.000507621	1.206021516 Hartree
151	RY(6)C5	2580	0.000287367	1.864123991 Hartree
152	RY(7)C5	2581	0.000103956	3.483585080 Hartree
153	RY(8)C5	2582	0.000085609	2.506684450 Hartree
154	RY(9)C5	2583	0.000029845	3.102062982 Hartree
155	RY(10)C5	2584	0.000005085	2.374380699 Hartree
156	RY(1)C6	2585	0.004586714	1.303682898 Hartree
157	RY(2)C6	2586	0.003028814	0.850838828 Hartree
158	RY(3)C6	2587	0.000835256	1.581845746 Hartree
159	RY(4)C6	2588	0.000438351	1.138462774 Hartree
160	RY(5)C6	2589	0.000137137	1.504433438 Hartree
161	RY(6)C6	2590	0.000070397	2.105672791 Hartree
162	RY(7)C6	2591	0.000029166	3.299869060 Hartree
163	RY(8)C6	2592	0.000024349	3.139641676 Hartree
164	RY(9)C6	2593	0.000006375	1.822933419 Hartree
165	RY(10)C6	2594	0.000004947	2.395177946 Hartree
166	RY(1)C7	2595	0.004342882	1.276792314 Hartree
167	RY(2)C7	2596	0.002932223	0.845017399 Hartree
168	RY(3)C7	2597	0.000604823	1.290473243 Hartree
169	RY(4)C7	2598	0.000601434	1.386020344 Hartree
170	RY(5)C7	2599	0.000333905	1.165391574 Hartree
171	RY(6)C7	2600	0.000083375	2.418291595 Hartree
172	RY(7)C7	2601	0.000035462	4.130734544 Hartree
173	RY(8)C7	2602	0.000028615	1.851291325 Hartree
174	RY(9)C7	2603	0.000006319	2.247441241 Hartree
175	RY(10)C7	2604	0.000002822	2.421631822 Hartree
176	RY(1)C8	2605	0.006283171	0.991592660 Hartree
177	RY(2)C8	2606	0.003878264	1.102737509 Hartree
178	RY(3)C8	2607	0.002409289	2.015728121 Hartree
179	RY(4)C8	2608	0.001398002	2.068147443 Hartree
180	RY(5)C8	2609	0.000688419	1.827764795 Hartree
181	RY(6)C8	2610	0.000542873	2.085093597 Hartree
182	RY(7)C8	2611	0.000341805	0.838780016 Hartree
183	RY(8)C8	2612	0.000160894	2.012384989 Hartree
184	RY(9)C8	2613	0.000048491	3.983656966 Hartree
185	RY(10)C8	2614	0.000003451	2.388774232 Hartree
186	RY(1)O9	2615	0.001859606	1.066387929 Hartree
187	RY(2)O9	2616	0.001418778	1.263669152 Hartree
188	RY(3)O9	2617	0.000100625	1.665790882 Hartree
189	RY(4)O9	2618	0.000044914	2.362810651 Hartree
190	RY(5)O9	2619	0.000032939	1.767041535 Hartree
191	RY(6)O9	2620	0.000013379	1.897543889 Hartree
192	RY(7)O9	2621	0.000013467	2.713466475 Hartree
193	RY(8)O9	2622	0.000004090	2.721526010 Hartree
194	RY(9)O9	2623	0.000003255	1.955342153 Hartree
195	RY(10)O9	2624	0.000001591	2.929230180 Hartree
196	RY(1)H10	2625	0.001912023	0.710527265 Hartree
197	RY(1)H11	2626	0.000911825	0.635144917 Hartree
198	RY(1)H12	2627	0.001189895	0.671107561 Hartree
199	RY(1)C13	2628	0.005991855	1.094246213 Hartree
200	RY(2)C13	2629	0.004440207	1.404916712 Hartree
201	RY(3)C13	2630	0.001457934	1.013205596 Hartree
202	RY(4)C13	2631	0.001043106	1.831858834 Hartree
203	RY(5)C13	2632	0.000589649	1.280297288 Hartree
204	RY(6)C13	2633	0.000121161	1.995104780 Hartree
205	RY(7)C13	2634	0.000065622	2.624877711 Hartree
206	RY(8)C13	2635	0.000023350	3.127370777 Hartree
207	RY(9)C13	2636	0.000010190	2.173832628 Hartree
208	RY(10)C13	2637	0.000003127	2.275430053 Hartree
209	RY(1)N14	2638	0.005347222	1.004618032 Hartree
210	RY(2)N14	2639	0.002450242	1.175470069 Hartree
211	RY(3)N14	2640	0.000943318	1.202965579 Hartree
212	RY(4)N14	2641	0.000307300	1.947122991 Hartree
213	RY(5)N14	2642	0.000145128	1.924996069 Hartree
214	RY(6)N14	2643	0.000057080	2.279626899 Hartree
215	RY(7)N14	2644	0.000023503	2.277947422 Hartree
216	RY(8)N14	2645	0.000012835	2.462944966 Hartree
217	RY(9)N14	2646	0.000004391	3.265340078 Hartree
218	RY(10)N14	2647	0.000002084	2.522210287 Hartree
219	RY(1)C15	2648	0.006515397	1.272957420 Hartree
220	RY(2)C15	2649	0.005236416	1.041465624 Hartree
221	RY(3)C15	2650	0.001883990	1.306183703 Hartree
222	RY(4)C15	2651	0.001213166	1.779764641 Hartree
223	RY(5)C15	2652	0.000726547	1.883656377 Hartree
224	RY(6)C15	2653	0.000579392	1.791836554 Hartree
225	RY(7)C15	2654	0.000187342	1.836145995 Hartree
226	RY(8)C15	2655	0.000065012	3.190567885 Hartree
227	RY(9)C15	2656	0.000039990	3.284512000 Hartree
228	RY(10)C15	2657	0.000000774	2.392550773 Hartree
229	RY(1)C16	2658	0.004913061	1.284520988 Hartree
230	RY(2)C16	2659	0.002940841	0.809365629 Hartree
231	RY(3)C16	2660	0.000657237	0.918085280 Hartree
232	RY(4)C16	2661	0.000583692	1.790014654 Hartree
233	RY(5)C16	2662	0.000308914	1.205335516 Hartree
234	RY(6)C16	2663	0.000088178	2.328605569 Hartree
235	RY(7)C16	2664	0.000035484	4.170060323 Hartree
236	RY(8)C16	2665	0.000016621	1.858851935 Hartree
237	RY(9)C16	2666	0.000009369	2.310334428 Hartree
238	RY(10)C16	2667	0.000001070	2.413214884 Hartree
239	RY(1)C17	2668	0.004603047	1.317570485 Hartree
240	RY(2)C17	2669	0.002255417	0.813756992 Hartree
241	RY(3)C17	2670	0.000660737	1.919695570 Hartree
242	RY(4)C17	2671	0.000431547	0.835191361 Hartree
243	RY(5)C17	2672	0.000165777	1.288434746 Hartree
244	RY(6)C17	2673	0.000084281	2.222215287 Hartree
245	RY(7)C17	2674	0.000027914	4.096971860 Hartree
246	RY(8)C17	2675	0.000006481	2.240823711 Hartree
247	RY(9)C17	2676	0.000003577	2.171355732 Hartree
248	RY(10)C17	2677	0.000001998	2.142917537 Hartree
249	RY(1)C18	2678	0.004363975	1.360941965 Hartree
250	RY(2)C18	2679	0.003108332	1.023790296 Hartree
251	RY(3)C18	2680	0.001860100	0.856938127 Hartree
252	RY(4)C18	2681	0.000630911	1.991515935 Hartree
253	RY(5)C18	2682	0.000236887	2.420791516 Hartree
254	RY(6)C18	2683	0.000165157	1.547009778 Hartree
255	RY(7)C18	2684	0.000140834	1.787235820 Hartree
256	RY(8)C18	2685	0.000054422	3.871883397 Hartree
257	RY(9)C18	2686	0.000011512	2.322860886 Hartree
258	RY(10)C18	2687	0.000002044	2.384036021 Hartree
259	RY(1)C19	2688	0.004721852	1.309124700 Hartree
260	RY(2)C19	2689	0.002370970	0.807830861 Hartree
261	RY(3)C19	2690	0.000660828	1.973647801 Hartree
262	RY(4)C19	2691	0.000507475	0.775018609 Hartree
263	RY(5)C19	2692	0.000216750	1.266716088 Hartree
264	RY(6)C19	2693	0.000074580	2.230427571 Hartree
265	RY(7)C19	2694	0.000032005	4.000699122 Hartree
266	RY(8)C19	2695	0.000008561	2.363522046 Hartree
267	RY(9)C19	2696	0.000004108	2.002407166 Hartree
268	RY(10)C19	2697	0.000002503	2.294551206 Hartree
269	RY(1)C20	2698	0.003921108	1.295992120 Hartree
270	RY(2)C20	2699	0.002544530	0.845736647 Hartree
271	RY(3)C20	2700	0.000682128	1.597605851 Hartree
272	RY(4)C20	2701	0.000587979	1.124410033 Hartree
273	RY(5)C20	2702	0.000393109	1.205205709 Hartree
274	RY(6)C20	2703	0.000071899	2.427704340 Hartree
275	RY(7)C20	2704	0.000030383	3.985621119 Hartree
276	RY(8)C20	2705	0.000022667	2.280199864 Hartree
277	RY(9)C20	2706	0.000009942	1.962067370 Hartree
278	RY(10)C20	2707	0.000001061	2.387003393 Hartree
279	RY(1)H21	2708	0.001021492	0.657621036 Hartree
280	RY(1)H22	2709	0.000902052	0.636812071 Hartree
281	RY(1)C23	2710	0.002719058	0.801113563 Hartree
282	RY(2)C23	2711	0.000630385	1.475759598 Hartree
283	RY(3)C23	2712	0.000230829	0.778954551 Hartree
284	RY(4)C23	2713	0.000029038	1.818673992 Hartree
285	RY(5)C23	2714	0.000012090	1.629355511 Hartree
286	RY(6)C23	2715	0.000009843	2.172934573 Hartree
287	RY(7)C23	2716	0.000006920	2.417699945 Hartree
288	RY(8)C23	2717	0.000001763	2.079206558 Hartree
289	RY(9)C23	2718	0.000002231	2.902582277 Hartree
290	RY(10)C23	2719	0.000000249	2.089498431 Hartree
291	RY(1)H24	2720	0.000806876	0.710627482 Hartree
292	RY(1)H25	2721	0.000710696	0.717420521 Hartree
293	RY(1)H26	2722	0.000698753	0.718373014 Hartree
294	RY(1)H27	2723	0.000861734	0.637465324 Hartree
295	RY(1)H28	2724	0.001137038	0.634543103 Hartree
296	RY(1)H29	2725	0.003171780	0.701081739 Hartree
297	RY(1)H30	2726	0.001014436	0.691111088 Hartree
298	RY(1)H31	2727	0.000346721	0.638245652 Hartree
299	RY(1)H32	2728	0.001438203	0.697636860 Hartree
300	RY(1)H33	2729	0.001436873	0.698222544 Hartree

Quote

ADVERTISING-- HE WHO HAS SOMETHING TO SELL AND GOES AND WHISPERS IN A WELL, IS NOT SO APT TO GET THE DOLLARS AS HE WHO CLIMBS A TREE AND HOLLERS. -- FROM THE BACK OF A SUGAR PACKET