WebMO Job Summary

Overview

Quantity	Value
Route	#N B3LYP/6-31G(d) SP GFINPUT POP=(FULL,NBORead) Geom=Connectivity
Stoichiometry	C₁₅H₁₅NO₂
Symmetry	C1
Basis	6-31G(d)
RB3LYP Energy	-785.810284584 Hartree
Dipole Moment	3.8137 Debye
Server	batch (408642)
CPU time	223.2 sec

Rotational Constants

Constant	Frequency (GHz)	Frequency (cm^-1)
a	1.4443249	0.04817749284
b	0.1471673	0.00490897273
c	0.1356932	0.00452623795

Partial Charges

Atom	Symbol	Charge
1	C	-0.213904
2	O	-0.554438
3	C	0.353458
4	C	0.227131
5	C	0.089214
6	C	-0.176549
7	C	-0.142128
8	C	-0.198317
9	H	0.135549
10	H	0.130750
11	H	0.156992
12	C	0.048670
13	N	-0.484366
14	C	0.274299
15	C	-0.155364
16	C	-0.195331
17	C	0.181906
18	C	-0.187999
19	C	-0.149792
20	H	0.132361
21	H	0.120058
22	C	-0.529966
23	H	0.156073
24	H	0.153917
25	H	0.163561
26	H	0.119957
27	H	0.131155
28	H	0.147585
29	O	-0.656000
30	H	0.429238
31	H	0.172660
32	H	0.159872
33	H	0.159749

Molecular Orbitals

Display Range		- / 300
Orbital	Symmetry	Occupancy	Energy	Actions
1	-	2	-19.19620 Hartree
2	-	2	-19.17999 Hartree
3	-	2	-14.32021 Hartree
4	-	2	-10.25509 Hartree
5	-	2	-10.25297 Hartree
6	-	2	-10.25156 Hartree
7	-	2	-10.22306 Hartree
8	-	2	-10.20698 Hartree
9	-	2	-10.19691 Hartree
10	-	2	-10.19258 Hartree
11	-	2	-10.18679 Hartree
12	-	2	-10.18676 Hartree
13	-	2	-10.18259 Hartree
14	-	2	-10.17893 Hartree
15	-	2	-10.17838 Hartree
16	-	2	-10.17758 Hartree
17	-	2	-10.17746 Hartree
18	-	2	-10.17525 Hartree
19	-	2	-1.08636 Hartree
20	-	2	-1.05433 Hartree
21	-	2	-0.92154 Hartree
22	-	2	-0.85245 Hartree
23	-	2	-0.83621 Hartree
24	-	2	-0.77331 Hartree
25	-	2	-0.75603 Hartree
26	-	2	-0.74461 Hartree
27	-	2	-0.73365 Hartree
28	-	2	-0.70495 Hartree
29	-	2	-0.68126 Hartree
30	-	2	-0.63642 Hartree
31	-	2	-0.61293 Hartree
32	-	2	-0.60102 Hartree
33	-	2	-0.58161 Hartree
34	-	2	-0.55754 Hartree
35	-	2	-0.55008 Hartree
36	-	2	-0.51636 Hartree
37	-	2	-0.51267 Hartree
38	-	2	-0.48293 Hartree
39	-	2	-0.48273 Hartree
40	-	2	-0.46193 Hartree
41	-	2	-0.45659 Hartree
42	-	2	-0.45189 Hartree
43	-	2	-0.43970 Hartree
44	-	2	-0.43336 Hartree
45	-	2	-0.41820 Hartree
46	-	2	-0.41494 Hartree
47	-	2	-0.41016 Hartree
48	-	2	-0.40756 Hartree
49	-	2	-0.39715 Hartree
50	-	2	-0.38207 Hartree
51	-	2	-0.38066 Hartree
52	-	2	-0.36489 Hartree
53	-	2	-0.35041 Hartree
54	-	2	-0.34970 Hartree
55	-	2	-0.34533 Hartree
56	-	2	-0.34420 Hartree
57	-	2	-0.33449 Hartree
58	-	2	-0.32908 Hartree
59	-	2	-0.30790 Hartree
60	-	2	-0.26294 Hartree
61	-	2	-0.24039 Hartree
62	-	2	-0.23728 Hartree
63	-	2	-0.21371 Hartree
64	-	2	-0.20163 Hartree
65	-	0	-0.04767 Hartree
66	-	0	0.00967 Hartree
67	-	0	0.01497 Hartree
68	-	0	0.02237 Hartree
69	-	0	0.06528 Hartree
70	-	0	0.06984 Hartree
71	-	0	0.08929 Hartree
72	-	0	0.10795 Hartree
73	-	0	0.12011 Hartree
74	-	0	0.12982 Hartree
75	-	0	0.13436 Hartree
76	-	0	0.14242 Hartree
77	-	0	0.14546 Hartree
78	-	0	0.15519 Hartree
79	-	0	0.15682 Hartree
80	-	0	0.16714 Hartree
81	-	0	0.17903 Hartree
82	-	0	0.18026 Hartree
83	-	0	0.18466 Hartree
84	-	0	0.19161 Hartree
85	-	0	0.19416 Hartree
86	-	0	0.21018 Hartree
87	-	0	0.21496 Hartree
88	-	0	0.21698 Hartree
89	-	0	0.24000 Hartree
90	-	0	0.26131 Hartree
91	-	0	0.26440 Hartree
92	-	0	0.29001 Hartree
93	-	0	0.31404 Hartree
94	-	0	0.31833 Hartree
95	-	0	0.33954 Hartree
96	-	0	0.34321 Hartree
97	-	0	0.34871 Hartree
98	-	0	0.36079 Hartree
99	-	0	0.38042 Hartree
100	-	0	0.39018 Hartree
101	-	0	0.45274 Hartree
102	-	0	0.48865 Hartree
103	-	0	0.49371 Hartree
104	-	0	0.50161 Hartree
105	-	0	0.50534 Hartree
106	-	0	0.50849 Hartree
107	-	0	0.51853 Hartree
108	-	0	0.52264 Hartree
109	-	0	0.53161 Hartree
110	-	0	0.54213 Hartree
111	-	0	0.54972 Hartree
112	-	0	0.55744 Hartree
113	-	0	0.56490 Hartree
114	-	0	0.57180 Hartree
115	-	0	0.58409 Hartree
116	-	0	0.58618 Hartree
117	-	0	0.59229 Hartree
118	-	0	0.60531 Hartree
119	-	0	0.60539 Hartree
120	-	0	0.60957 Hartree
121	-	0	0.61412 Hartree
122	-	0	0.61509 Hartree
123	-	0	0.62158 Hartree
124	-	0	0.63481 Hartree
125	-	0	0.63757 Hartree
126	-	0	0.64116 Hartree
127	-	0	0.65361 Hartree
128	-	0	0.67048 Hartree
129	-	0	0.67246 Hartree
130	-	0	0.67601 Hartree
131	-	0	0.70160 Hartree
132	-	0	0.71021 Hartree
133	-	0	0.71992 Hartree
134	-	0	0.73854 Hartree
135	-	0	0.74158 Hartree
136	-	0	0.74727 Hartree
137	-	0	0.75793 Hartree
138	-	0	0.79150 Hartree
139	-	0	0.79473 Hartree
140	-	0	0.81239 Hartree
141	-	0	0.81499 Hartree
142	-	0	0.82712 Hartree
143	-	0	0.83335 Hartree
144	-	0	0.84547 Hartree
145	-	0	0.84846 Hartree
146	-	0	0.85174 Hartree
147	-	0	0.86157 Hartree
148	-	0	0.87309 Hartree
149	-	0	0.87637 Hartree
150	-	0	0.88122 Hartree
151	-	0	0.89326 Hartree
152	-	0	0.90712 Hartree
153	-	0	0.91148 Hartree
154	-	0	0.91703 Hartree
155	-	0	0.92455 Hartree
156	-	0	0.93180 Hartree
157	-	0	0.94140 Hartree
158	-	0	0.96207 Hartree
159	-	0	0.96409 Hartree
160	-	0	0.97487 Hartree
161	-	0	0.98601 Hartree
162	-	0	1.00931 Hartree
163	-	0	1.01584 Hartree
164	-	0	1.01889 Hartree
165	-	0	1.04229 Hartree
166	-	0	1.05314 Hartree
167	-	0	1.05542 Hartree
168	-	0	1.07344 Hartree
169	-	0	1.09577 Hartree
170	-	0	1.11105 Hartree
171	-	0	1.12575 Hartree
172	-	0	1.14411 Hartree
173	-	0	1.15505 Hartree
174	-	0	1.18794 Hartree
175	-	0	1.20158 Hartree
176	-	0	1.21050 Hartree
177	-	0	1.23295 Hartree
178	-	0	1.23967 Hartree
179	-	0	1.26079 Hartree
180	-	0	1.27363 Hartree
181	-	0	1.28902 Hartree
182	-	0	1.32191 Hartree
183	-	0	1.32686 Hartree
184	-	0	1.33641 Hartree
185	-	0	1.36173 Hartree
186	-	0	1.38774 Hartree
187	-	0	1.40088 Hartree
188	-	0	1.40628 Hartree
189	-	0	1.40738 Hartree
190	-	0	1.44423 Hartree
191	-	0	1.45181 Hartree
192	-	0	1.46674 Hartree
193	-	0	1.47005 Hartree
194	-	0	1.47275 Hartree
195	-	0	1.47548 Hartree
196	-	0	1.48953 Hartree
197	-	0	1.50600 Hartree
198	-	0	1.50942 Hartree
199	-	0	1.52763 Hartree
200	-	0	1.53724 Hartree
201	-	0	1.62624 Hartree
202	-	0	1.66317 Hartree
203	-	0	1.68184 Hartree
204	-	0	1.71998 Hartree
205	-	0	1.75395 Hartree
206	-	0	1.76004 Hartree
207	-	0	1.77412 Hartree
208	-	0	1.79139 Hartree
209	-	0	1.80725 Hartree
210	-	0	1.81776 Hartree
211	-	0	1.82528 Hartree
212	-	0	1.84522 Hartree
213	-	0	1.84669 Hartree
214	-	0	1.85727 Hartree
215	-	0	1.88860 Hartree
216	-	0	1.89578 Hartree
217	-	0	1.91881 Hartree
218	-	0	1.92508 Hartree
219	-	0	1.93142 Hartree
220	-	0	1.94575 Hartree
221	-	0	1.94804 Hartree
222	-	0	1.97054 Hartree
223	-	0	1.98216 Hartree
224	-	0	1.99251 Hartree
225	-	0	2.01249 Hartree
226	-	0	2.02191 Hartree
227	-	0	2.03920 Hartree
228	-	0	2.06523 Hartree
229	-	0	2.07456 Hartree
230	-	0	2.09174 Hartree
231	-	0	2.10908 Hartree
232	-	0	2.12807 Hartree
233	-	0	2.14800 Hartree
234	-	0	2.15208 Hartree
235	-	0	2.16562 Hartree
236	-	0	2.19868 Hartree
237	-	0	2.21128 Hartree
238	-	0	2.22288 Hartree
239	-	0	2.22704 Hartree
240	-	0	2.23872 Hartree
241	-	0	2.26107 Hartree
242	-	0	2.26519 Hartree
243	-	0	2.30148 Hartree
244	-	0	2.31916 Hartree
245	-	0	2.32279 Hartree
246	-	0	2.32671 Hartree
247	-	0	2.33523 Hartree
248	-	0	2.35578 Hartree
249	-	0	2.36048 Hartree
250	-	0	2.36672 Hartree
251	-	0	2.39630 Hartree
252	-	0	2.43662 Hartree
253	-	0	2.45995 Hartree
254	-	0	2.46828 Hartree
255	-	0	2.48632 Hartree
256	-	0	2.49897 Hartree
257	-	0	2.54939 Hartree
258	-	0	2.59659 Hartree
259	-	0	2.61204 Hartree
260	-	0	2.61852 Hartree
261	-	0	2.63586 Hartree
262	-	0	2.65242 Hartree
263	-	0	2.66433 Hartree
264	-	0	2.67788 Hartree
265	-	0	2.68889 Hartree
266	-	0	2.69522 Hartree
267	-	0	2.76183 Hartree
268	-	0	2.77224 Hartree
269	-	0	2.79586 Hartree
270	-	0	2.82366 Hartree
271	-	0	2.82862 Hartree
272	-	0	2.84895 Hartree
273	-	0	2.86280 Hartree
274	-	0	2.91670 Hartree
275	-	0	2.95866 Hartree
276	-	0	2.98652 Hartree
277	-	0	3.04602 Hartree
278	-	0	3.11117 Hartree
279	-	0	3.21268 Hartree
280	-	0	3.28786 Hartree
281	-	0	3.43360 Hartree
282	-	0	3.44999 Hartree
283	-	0	3.95771 Hartree
284	-	0	4.06680 Hartree
285	-	0	4.09227 Hartree
286	-	0	4.10221 Hartree
287	-	0	4.12317 Hartree
288	-	0	4.13227 Hartree
289	-	0	4.15859 Hartree
290	-	0	4.19783 Hartree
291	-	0	4.20543 Hartree
292	-	0	4.25125 Hartree
293	-	0	4.27424 Hartree
294	-	0	4.33229 Hartree
295	-	0	4.34403 Hartree
296	-	0	4.41713 Hartree
297	-	0	4.46746 Hartree
298	-	0	4.56535 Hartree
299	-	0	4.73997 Hartree
300	-	0	4.95724 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom	Symbol	Charge
1	C	-0.31047
2	O	-0.55300
3	C	0.24659
4	C	0.32666
5	C	-0.15367
6	C	-0.20043
7	C	-0.24773
8	C	-0.29508
9	H	0.23931
10	H	0.23933
11	H	0.25765
12	C	0.10620
13	N	-0.44926
14	C	0.12617
15	C	-0.25006
16	C	-0.22566
17	C	-0.04056
18	C	-0.22817
19	C	-0.22119
20	H	0.24303
21	H	0.23195
22	C	-0.68691
23	H	0.23848
24	H	0.23657
25	H	0.24242
26	H	0.23154
27	H	0.23642
28	H	0.20253
29	O	-0.69206
30	H	0.50615
31	H	0.22947
32	H	0.20692
33	H	0.20686

Natural Atomic Orbitals

Display Range		- / 300
Orbital	Description	Occupancy	Energy	Actions
1	C1 Cor(1S)	1.999439609	-10.145340896 Hartree
2	C1 Val(2S)	1.099971927	-0.292490727 Hartree
3	C1 Ryd(3S)	0.001509820	1.131460365 Hartree
4	C1 Ryd(4S)	0.000027142	4.174535181 Hartree
5	C1 Val(2p)	0.740490440	-0.080554777 Hartree
6	C1 Ryd(3p)	0.002748614	0.563303455 Hartree
7	C1 Val(2p)	1.228133954	-0.116194420 Hartree
8	C1 Ryd(3p)	0.002810999	0.691355727 Hartree
9	C1 Val(2p)	1.228504521	-0.113606117 Hartree
10	C1 Ryd(3p)	0.000343840	0.578105137 Hartree
11	C1 Ryd(3d)	0.001422169	2.072870142 Hartree
12	C1 Ryd(3d)	0.001457276	1.871036097 Hartree
13	C1 Ryd(3d)	0.000925031	2.038046231 Hartree
14	C1 Ryd(3d)	0.001568332	2.110383888 Hartree
15	C1 Ryd(3d)	0.001119504	2.091344284 Hartree
16	O2 Cor(1S)	1.999737489	-18.991503644 Hartree
17	O2 Val(2S)	1.589276011	-0.878964265 Hartree
18	O2 Ryd(3S)	0.000913234	2.132084410 Hartree
19	O2 Ryd(4S)	0.000061631	3.548269535 Hartree
20	O2 Val(2p)	1.405179897	-0.318043837 Hartree
21	O2 Ryd(3p)	0.000838520	1.460416247 Hartree
22	O2 Val(2p)	1.689140612	-0.338859193 Hartree
23	O2 Ryd(3p)	0.002325226	1.201536917 Hartree
24	O2 Val(2p)	1.858315309	-0.323463178 Hartree
25	O2 Ryd(3p)	0.002487197	1.041868116 Hartree
26	O2 Ryd(3d)	0.001114297	2.571501605 Hartree
27	O2 Ryd(3d)	0.000327307	1.972527455 Hartree
28	O2 Ryd(3d)	0.001387234	1.924651552 Hartree
29	O2 Ryd(3d)	0.001156730	2.390359657 Hartree
30	O2 Ryd(3d)	0.000744233	2.259124129 Hartree
31	C3 Cor(1S)	1.998725304	-10.115247939 Hartree
32	C3 Val(2S)	0.831941182	-0.145119593 Hartree
33	C3 Ryd(3S)	0.001422633	1.153236768 Hartree
34	C3 Ryd(4S)	0.000177482	3.953379314 Hartree
35	C3 Val(2p)	0.930851231	-0.051590317 Hartree
36	C3 Ryd(3p)	0.004286182	1.027400305 Hartree
37	C3 Val(2p)	0.922648945	-0.038272312 Hartree
38	C3 Ryd(3p)	0.007655043	0.990355554 Hartree
39	C3 Val(2p)	1.048943910	-0.120076457 Hartree
40	C3 Ryd(3p)	0.000788399	0.661274192 Hartree
41	C3 Ryd(3d)	0.001577580	2.432941614 Hartree
42	C3 Ryd(3d)	0.001145031	1.924359119 Hartree
43	C3 Ryd(3d)	0.001438589	2.004734564 Hartree
44	C3 Ryd(3d)	0.001248184	2.511600805 Hartree
45	C3 Ryd(3d)	0.000564337	2.358096923 Hartree
46	C4 Cor(1S)	1.998708406	-10.115611994 Hartree
47	C4 Val(2S)	0.824827590	-0.137584393 Hartree
48	C4 Ryd(3S)	0.001490928	1.290857459 Hartree
49	C4 Ryd(4S)	0.000142834	3.875000313 Hartree
50	C4 Val(2p)	1.053855321	-0.045978738 Hartree
51	C4 Ryd(3p)	0.005888950	1.013492956 Hartree
52	C4 Val(2p)	0.790040016	-0.034847472 Hartree
53	C4 Ryd(3p)	0.007170269	0.950545292 Hartree
54	C4 Val(2p)	0.984256669	-0.113165818 Hartree
55	C4 Ryd(3p)	0.000600734	0.663839893 Hartree
56	C4 Ryd(3d)	0.001441442	2.455742142 Hartree
57	C4 Ryd(3d)	0.000662578	1.931198791 Hartree
58	C4 Ryd(3d)	0.002114427	1.988009139 Hartree
59	C4 Ryd(3d)	0.001529263	2.464285917 Hartree
60	C4 Ryd(3d)	0.000610374	2.368942023 Hartree
61	C5 Cor(1S)	1.998964071	-10.041647181 Hartree
62	C5 Val(2S)	0.889421516	-0.132706248 Hartree
63	C5 Ryd(3S)	0.000746201	1.074390237 Hartree
64	C5 Ryd(4S)	0.000072397	4.181089109 Hartree
65	C5 Val(2p)	1.081914131	-0.051157305 Hartree
66	C5 Ryd(3p)	0.005336142	1.251254099 Hartree
67	C5 Val(2p)	1.099225999	-0.049116527 Hartree
68	C5 Ryd(3p)	0.006191982	1.162588038 Hartree
69	C5 Val(2p)	1.068048498	-0.095771765 Hartree
70	C5 Ryd(3p)	0.000956693	0.725107383 Hartree
71	C5 Ryd(3d)	0.000799503	2.519308314 Hartree
72	C5 Ryd(3d)	0.000561347	1.932771079 Hartree
73	C5 Ryd(3d)	0.000523266	1.983453130 Hartree
74	C5 Ryd(3d)	0.000525666	2.506094654 Hartree
75	C5 Ryd(3d)	0.000381557	2.361981334 Hartree
76	C6 Cor(1S)	1.999070529	-10.033112942 Hartree
77	C6 Val(2S)	0.951009900	-0.148316867 Hartree
78	C6 Ryd(3S)	0.000600063	1.277509879 Hartree
79	C6 Ryd(4S)	0.000043207	3.991870155 Hartree
80	C6 Val(2p)	1.143590279	-0.035007368 Hartree
81	C6 Ryd(3p)	0.004832757	1.052085226 Hartree
82	C6 Val(2p)	1.111770084	-0.029772890 Hartree
83	C6 Ryd(3p)	0.004466312	0.903835799 Hartree
84	C6 Val(2p)	0.981615253	-0.089494168 Hartree
85	C6 Ryd(3p)	0.000656502	0.647923235 Hartree
86	C6 Ryd(3d)	0.000803672	2.409903506 Hartree
87	C6 Ryd(3d)	0.000496356	1.897936093 Hartree
88	C6 Ryd(3d)	0.000413208	1.944077779 Hartree
89	C6 Ryd(3d)	0.000635316	2.430292001 Hartree
90	C6 Ryd(3d)	0.000424801	2.295748903 Hartree
91	C7 Cor(1S)	1.999108587	-10.040107741 Hartree
92	C7 Val(2S)	0.953722618	-0.159368460 Hartree
93	C7 Ryd(3S)	0.000639223	1.334268096 Hartree
94	C7 Ryd(4S)	0.000032299	3.916032554 Hartree
95	C7 Val(2p)	1.068704858	-0.029289811 Hartree
96	C7 Ryd(3p)	0.004869176	0.731654214 Hartree
97	C7 Val(2p)	1.178528405	-0.048699149 Hartree
98	C7 Ryd(3p)	0.004898199	1.106359008 Hartree
99	C7 Val(2p)	1.033530812	-0.096661639 Hartree
100	C7 Ryd(3p)	0.000893728	0.641215881 Hartree
101	C7 Ryd(3d)	0.000700550	2.388756009 Hartree
102	C7 Ryd(3d)	0.000575508	1.961109008 Hartree
103	C7 Ryd(3d)	0.000366153	1.850815030 Hartree
104	C7 Ryd(3d)	0.000743933	2.380791144 Hartree
105	C7 Ryd(3d)	0.000420737	2.271098240 Hartree
106	C8 Cor(1S)	1.999023816	-10.049299197 Hartree
107	C8 Val(2S)	0.957957741	-0.172328894 Hartree
108	C8 Ryd(3S)	0.000596169	1.254277511 Hartree
109	C8 Ryd(4S)	0.000053035	3.972410419 Hartree
110	C8 Val(2p)	1.196945006	-0.062713772 Hartree
111	C8 Ryd(3p)	0.003752961	1.136790516 Hartree
112	C8 Val(2p)	1.075778423	-0.050750721 Hartree
113	C8 Ryd(3p)	0.003928008	0.801513962 Hartree
114	C8 Val(2p)	1.053337446	-0.110163270 Hartree
115	C8 Ryd(3p)	0.000915577	0.633161588 Hartree
116	C8 Ryd(3d)	0.000495059	2.438318088 Hartree
117	C8 Ryd(3d)	0.000339771	1.822302499 Hartree
118	C8 Ryd(3d)	0.000622826	1.991273272 Hartree
119	C8 Ryd(3d)	0.000856124	2.387828570 Hartree
120	C8 Ryd(3d)	0.000476800	2.286331981 Hartree
121	H9 Val(1S)	0.759849116	0.082071504 Hartree
122	H9 Ryd(2S)	0.000840872	0.619276215 Hartree
123	H10 Val(1S)	0.759888954	0.100307984 Hartree
124	H10 Ryd(2S)	0.000779128	0.570090400 Hartree
125	H11 Val(1S)	0.740855394	0.122185217 Hartree
126	H11 Ryd(2S)	0.001495052	0.627301699 Hartree
127	C12 Cor(1S)	1.999238943	-10.084544537 Hartree
128	C12 Val(2S)	0.925406461	-0.156649744 Hartree
129	C12 Ryd(3S)	0.004850654	1.070662608 Hartree
130	C12 Ryd(4S)	0.000105716	3.875325717 Hartree
131	C12 Val(2p)	0.961284204	-0.009126508 Hartree
132	C12 Ryd(3p)	0.003579610	0.842101402 Hartree
133	C12 Val(2p)	1.104206309	-0.034312451 Hartree
134	C12 Ryd(3p)	0.006705333	1.024762700 Hartree
135	C12 Val(2p)	0.883002532	-0.102684980 Hartree
136	C12 Ryd(3p)	0.001225792	0.632756340 Hartree
137	C12 Ryd(3d)	0.000760379	2.528473464 Hartree
138	C12 Ryd(3d)	0.000851842	2.064268599 Hartree
139	C12 Ryd(3d)	0.000465160	1.982566456 Hartree
140	C12 Ryd(3d)	0.001781201	2.581824680 Hartree
141	C12 Ryd(3d)	0.000331761	2.322986823 Hartree
142	N13 Cor(1S)	1.999355153	-14.124517572 Hartree
143	N13 Val(2S)	1.353595193	-0.488424300 Hartree
144	N13 Ryd(3S)	0.001359976	1.844463155 Hartree
145	N13 Ryd(4S)	0.000030089	3.799207192 Hartree
146	N13 Val(2p)	1.226120081	-0.140225426 Hartree
147	N13 Ryd(3p)	0.002989391	1.261921970 Hartree
148	N13 Val(2p)	1.665962739	-0.201617505 Hartree
149	N13 Ryd(3p)	0.005591061	0.963382551 Hartree
150	N13 Val(2p)	1.182841363	-0.162161081 Hartree
151	N13 Ryd(3p)	0.001498070	0.855326128 Hartree
152	N13 Ryd(3d)	0.002776881	2.376150009 Hartree
153	N13 Ryd(3d)	0.000454015	1.867704010 Hartree
154	N13 Ryd(3d)	0.002655446	1.834058353 Hartree
155	N13 Ryd(3d)	0.002220815	2.103921827 Hartree
156	N13 Ryd(3d)	0.001804844	2.107001834 Hartree
157	C14 Cor(1S)	1.998948526	-10.062735072 Hartree
158	C14 Val(2S)	0.845952789	-0.110833886 Hartree
159	C14 Ryd(3S)	0.001351278	1.134253857 Hartree
160	C14 Ryd(4S)	0.000101641	4.072393855 Hartree
161	C14 Val(2p)	0.929028236	-0.010589599 Hartree
162	C14 Ryd(3p)	0.006884045	1.098483971 Hartree
163	C14 Val(2p)	1.052968641	-0.039056524 Hartree
164	C14 Ryd(3p)	0.006524200	0.952366989 Hartree
165	C14 Val(2p)	1.026611141	-0.075570557 Hartree
166	C14 Ryd(3p)	0.001431376	0.750981846 Hartree
167	C14 Ryd(3d)	0.001165122	2.515434096 Hartree
168	C14 Ryd(3d)	0.001005533	2.195870868 Hartree
169	C14 Ryd(3d)	0.000479636	2.263422348 Hartree
170	C14 Ryd(3d)	0.000923055	2.484283840 Hartree
171	C14 Ryd(3d)	0.000451537	2.217187187 Hartree
172	C15 Cor(1S)	1.999024793	-10.029461828 Hartree
173	C15 Val(2S)	0.956615031	-0.151292376 Hartree
174	C15 Ryd(3S)	0.000841496	1.145179910 Hartree
175	C15 Ryd(4S)	0.000061717	4.125193540 Hartree
176	C15 Val(2p)	1.126733295	-0.035872809 Hartree
177	C15 Ryd(3p)	0.003555471	0.963644988 Hartree
178	C15 Val(2p)	1.085571536	-0.045125227 Hartree
179	C15 Ryd(3p)	0.003583639	0.856103107 Hartree
180	C15 Val(2p)	1.069822108	-0.078743444 Hartree
181	C15 Ryd(3p)	0.001504302	0.769132884 Hartree
182	C15 Ryd(3d)	0.000706345	2.324723961 Hartree
183	C15 Ryd(3d)	0.000592827	2.034726732 Hartree
184	C15 Ryd(3d)	0.000520653	2.214371389 Hartree
185	C15 Ryd(3d)	0.000573230	2.338543621 Hartree
186	C15 Ryd(3d)	0.000351641	2.090877848 Hartree
187	C16 Cor(1S)	1.999032247	-10.028127891 Hartree
188	C16 Val(2S)	0.949267113	-0.145831282 Hartree
189	C16 Ryd(3S)	0.000614949	1.285413123 Hartree
190	C16 Ryd(4S)	0.000047015	3.971391157 Hartree
191	C16 Val(2p)	1.073554689	-0.024341922 Hartree
192	C16 Ryd(3p)	0.003733537	0.780889443 Hartree
193	C16 Val(2p)	1.149227046	-0.052109574 Hartree
194	C16 Ryd(3p)	0.004077251	1.020559391 Hartree
195	C16 Val(2p)	1.041666109	-0.076167922 Hartree
196	C16 Ryd(3p)	0.001632921	0.735892430 Hartree
197	C16 Ryd(3d)	0.000653138	2.290545443 Hartree
198	C16 Ryd(3d)	0.000565942	2.093318470 Hartree
199	C16 Ryd(3d)	0.000525351	2.136767624 Hartree
200	C16 Ryd(3d)	0.000679791	2.325625828 Hartree
201	C16 Ryd(3d)	0.000387079	2.088616652 Hartree
202	C17 Cor(1S)	1.999028657	-10.036739337 Hartree
203	C17 Val(2S)	0.884849778	-0.129867891 Hartree
204	C17 Ryd(3S)	0.000415694	1.041264100 Hartree
205	C17 Ryd(4S)	0.000052272	4.226135775 Hartree
206	C17 Val(2p)	1.061357560	-0.033829701 Hartree
207	C17 Ryd(3p)	0.004561745	1.173016519 Hartree
208	C17 Val(2p)	1.066404051	-0.040234064 Hartree
209	C17 Ryd(3p)	0.003630544	0.880689869 Hartree
210	C17 Val(2p)	1.015075001	-0.069084669 Hartree
211	C17 Ryd(3p)	0.002283366	0.749872912 Hartree
212	C17 Ryd(3d)	0.000719054	2.338052267 Hartree
213	C17 Ryd(3d)	0.000631418	2.076912115 Hartree
214	C17 Ryd(3d)	0.000426625	2.241406966 Hartree
215	C17 Ryd(3d)	0.000674301	2.336130197 Hartree
216	C17 Ryd(3d)	0.000452130	2.118478521 Hartree
217	C18 Cor(1S)	1.999028205	-10.027163999 Hartree
218	C18 Val(2S)	0.950396865	-0.145321479 Hartree
219	C18 Ryd(3S)	0.000541680	1.280620061 Hartree
220	C18 Ryd(4S)	0.000049207	3.982449379 Hartree
221	C18 Val(2p)	1.121910441	-0.031809050 Hartree
222	C18 Ryd(3p)	0.004076734	0.938364398 Hartree
223	C18 Val(2p)	1.097822030	-0.041092774 Hartree
224	C18 Ryd(3p)	0.003667467	0.868685989 Hartree
225	C18 Val(2p)	1.046474957	-0.077264914 Hartree
226	C18 Ryd(3p)	0.001399179	0.739219502 Hartree
227	C18 Ryd(3d)	0.000747015	2.319948734 Hartree
228	C18 Ryd(3d)	0.000593066	2.020169517 Hartree
229	C18 Ryd(3d)	0.000509750	2.187657457 Hartree
230	C18 Ryd(3d)	0.000588155	2.326067804 Hartree
231	C18 Ryd(3d)	0.000366089	2.091647706 Hartree
232	C19 Cor(1S)	1.999031892	-10.025922457 Hartree
233	C19 Val(2S)	0.957447937	-0.147792263 Hartree
234	C19 Ryd(3S)	0.000725161	1.229212777 Hartree
235	C19 Ryd(4S)	0.000053152	4.047359613 Hartree
236	C19 Val(2p)	1.068060519	-0.020532292 Hartree
237	C19 Ryd(3p)	0.004713476	0.796362149 Hartree
238	C19 Val(2p)	1.150383287	-0.048604556 Hartree
239	C19 Ryd(3p)	0.004101730	1.029660831 Hartree
240	C19 Val(2p)	1.032199252	-0.074885792 Hartree
241	C19 Ryd(3p)	0.001722480	0.727996838 Hartree
242	C19 Ryd(3d)	0.000713575	2.314680330 Hartree
243	C19 Ryd(3d)	0.000550402	2.088393615 Hartree
244	C19 Ryd(3d)	0.000521489	2.120083497 Hartree
245	C19 Ryd(3d)	0.000589916	2.347669434 Hartree
246	C19 Ryd(3d)	0.000379235	2.121304496 Hartree
247	H20 Val(1S)	0.755542242	0.111388239 Hartree
248	H20 Ryd(2S)	0.001423633	0.583992668 Hartree
249	H21 Val(1S)	0.767016209	0.100266050 Hartree
250	H21 Ryd(2S)	0.001029459	0.583351440 Hartree
251	C22 Cor(1S)	1.999391402	-10.045267178 Hartree
252	C22 Val(2S)	1.095438550	-0.245739332 Hartree
253	C22 Ryd(3S)	0.000192011	1.357243863 Hartree
254	C22 Ryd(4S)	0.000007355	4.170078742 Hartree
255	C22 Val(2p)	1.100054278	-0.064239091 Hartree
256	C22 Ryd(3p)	0.000927853	0.533702492 Hartree
257	C22 Val(2p)	1.238681130	-0.079027627 Hartree
258	C22 Ryd(3p)	0.002025426	0.664428223 Hartree
259	C22 Val(2p)	1.246096422	-0.079912655 Hartree
260	C22 Ryd(3p)	0.000797437	0.649393387 Hartree
261	C22 Ryd(3d)	0.000432040	2.046510453 Hartree
262	C22 Ryd(3d)	0.000879978	2.078491811 Hartree
263	C22 Ryd(3d)	0.000445079	1.943015056 Hartree
264	C22 Ryd(3d)	0.000886911	2.245613284 Hartree
265	C22 Ryd(3d)	0.000657527	2.123750369 Hartree
266	H23 Val(1S)	0.760607868	0.089630360 Hartree
267	H23 Ryd(2S)	0.000913775	0.660479813 Hartree
268	H24 Val(1S)	0.762555635	0.089868982 Hartree
269	H24 Ryd(2S)	0.000879007	0.662908504 Hartree
270	H25 Val(1S)	0.756552730	0.088673969 Hartree
271	H25 Ryd(2S)	0.001025089	0.655355403 Hartree
272	H26 Val(1S)	0.767375940	0.099154332 Hartree
273	H26 Ryd(2S)	0.001083951	0.585508015 Hartree
274	H27 Val(1S)	0.762432527	0.100670338 Hartree
275	H27 Ryd(2S)	0.001150856	0.612645354 Hartree
276	H28 Val(1S)	0.794219445	0.077884838 Hartree
277	H28 Ryd(2S)	0.003250906	0.675200815 Hartree
278	O29 Cor(1S)	1.999779487	-18.978251896 Hartree
279	O29 Val(2S)	1.656997136	-0.895564212 Hartree
280	O29 Ryd(3S)	0.000347172	2.282186130 Hartree
281	O29 Ryd(4S)	0.000060483	3.455695243 Hartree
282	O29 Val(2p)	1.707419627	-0.324095766 Hartree
283	O29 Ryd(3p)	0.001208947	1.302527424 Hartree
284	O29 Val(2p)	1.465546081	-0.307150417 Hartree
285	O29 Ryd(3p)	0.001907084	1.153278069 Hartree
286	O29 Val(2p)	1.850911952	-0.311811071 Hartree
287	O29 Ryd(3p)	0.001596287	0.973369999 Hartree
288	O29 Ryd(3d)	0.001539005	2.320619325 Hartree
289	O29 Ryd(3d)	0.001734032	1.764814080 Hartree
290	O29 Ryd(3d)	0.000632329	2.010084514 Hartree
291	O29 Ryd(3d)	0.001456089	2.528296411 Hartree
292	O29 Ryd(3d)	0.000920690	2.271439279 Hartree
293	H30 Val(1S)	0.491519879	0.137840398 Hartree
294	H30 Ryd(2S)	0.002327651	0.645327714 Hartree
295	H31 Val(1S)	0.770018076	0.063870752 Hartree
296	H31 Ryd(2S)	0.000513827	0.584407934 Hartree
297	H32 Val(1S)	0.791320590	0.045160741 Hartree
298	H32 Ryd(2S)	0.001754418	0.636986675 Hartree
299	H33 Val(1S)	0.791382939	0.045058792 Hartree
300	H33 Ryd(2S)	0.001755764	0.637106562 Hartree

Natural Hybrid Orbitals

Display Range		- / 300
Orbital	Description	Occupancy	Energy	Actions
1	BD(1)C1(O2) 1s(20.70%)p3.82(79.03%)d0.01(0.27%)	0.629322245	-0.074710544 Hartree
2	BD(1)O2(C1) 2s(29.12%)p2.43(70.82%)d0.00(0.06%)	1.371825798	-0.480290885 Hartree
3	BD(1)C1(H31) 1s(26.18%)p2.82(73.75%)d0.00(0.07%)	1.228142644	-0.159909060 Hartree
4	BD(1)H31(C1) 31s(100.00%)	0.770017626	0.064311412 Hartree
5	BD(1)C1(H32) 1s(26.61%)p2.76(73.32%)d0.00(0.07%)	1.223821634	-0.167425965 Hartree
6	BD(1)H32(C1) 32s(100.00%)	0.791304833	0.047706926 Hartree
7	BD(1)C1(H33) 1s(26.61%)p2.76(73.32%)d0.00(0.07%)	1.223752643	-0.167435638 Hartree
8	BD(1)H33(C1) 33s(100.00%)	0.791367178	0.047605007 Hartree
9	BD(1)O2(C3) 2s(32.62%)p2.06(67.32%)d0.00(0.07%)	1.356093022	-0.486826554 Hartree
10	BD(1)C3(O2) 3s(24.27%)p3.11(75.52%)d0.01(0.21%)	0.663280635	-0.054871785 Hartree
11	BD(1)C3(C4) 3s(35.27%)p1.83(64.68%)d0.00(0.05%)	1.009899474	-0.085861540 Hartree
12	BD(1)C4(C3) 4s(36.28%)p1.76(63.68%)d0.00(0.04%)	0.998799868	-0.083440384 Hartree
13	BD(1)C3(C8) 3s(40.30%)p1.48(59.67%)d0.00(0.03%)	1.013545270	-0.077639450 Hartree
14	BD(1)C8(C3) 8s(34.04%)p1.94(65.91%)d0.00(0.05%)	0.990875499	-0.062654347 Hartree
15	BD(2)C3(C8) 3s(0.00%)p1.00(99.96%)d0.00(0.04%)	1.051907912	-0.122016575 Hartree
16	BD(2)C8(C3) 8s(0.00%)p1.00(99.95%)d0.00(0.05%)	1.053016145	-0.111626312 Hartree
17	BD(1)C4(C5) 4s(38.66%)p1.59(61.31%)d0.00(0.03%)	0.992643489	-0.058574255 Hartree
18	BD(1)C5(C4) 5s(33.08%)p2.02(66.88%)d0.00(0.04%)	1.005590657	-0.067819983 Hartree
19	BD(2)C4(C5) 4s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.989637107	-0.114685506 Hartree
20	BD(2)C5(C4) 5s(0.00%)p1.00(99.97%)d0.00(0.03%)	1.067257763	-0.096707162 Hartree
21	BD(1)C4(O29) 4s(24.89%)p3.01(74.91%)d0.01(0.20%)	0.676671358	-0.062621799 Hartree
22	BD(1)O29(C4) 29s(33.75%)p1.96(66.17%)d0.00(0.07%)	1.334634364	-0.477899970 Hartree
23	BD(1)C5(C6) 5s(34.72%)p1.88(65.25%)d0.00(0.03%)	1.027783059	-0.063506273 Hartree
24	BD(1)C6(C5) 6s(33.73%)p1.96(66.22%)d0.00(0.04%)	0.964243613	-0.031274320 Hartree
25	BD(1)C5(C12) 5s(32.16%)p2.11(67.81%)d0.00(0.04%)	1.039391475	-0.093424425 Hartree
26	BD(1)C12(C5) 12s(34.25%)p1.92(65.70%)d0.00(0.05%)	0.965887707	-0.058078055 Hartree
27	BD(1)C6(C7) 6s(36.01%)p1.78(63.95%)d0.00(0.04%)	0.996015048	-0.036795078 Hartree
28	BD(1)C7(C6) 7s(35.91%)p1.78(64.05%)d0.00(0.04%)	0.998057093	-0.039287530 Hartree
29	BD(2)C6(C7) 6s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.978587639	-0.090720089 Hartree
30	BD(2)C7(C6) 7s(0.00%)p1.00(99.96%)d0.00(0.04%)	1.029998229	-0.098774225 Hartree
31	BD(1)C6(H11) 6s(30.22%)p2.31(69.73%)d0.00(0.05%)	1.252902059	-0.126576688 Hartree
32	BD(1)H11(C6) 11s(100.00%)	0.740848315	0.123870333 Hartree
33	BD(1)C7(C8) 7s(34.26%)p1.92(65.70%)d0.00(0.04%)	0.977010779	-0.046737192 Hartree
34	BD(1)C8(C7) 8s(36.02%)p1.78(63.95%)d0.00(0.03%)	1.012636388	-0.059447792 Hartree
35	BD(1)C7(H10) 7s(29.80%)p2.35(70.15%)d0.00(0.05%)	1.234121368	-0.131283329 Hartree
36	BD(1)H10(C7) 10s(100.00%)	0.759887667	0.101009700 Hartree
37	BD(1)C8(H9) 8s(29.89%)p2.34(70.06%)d0.00(0.05%)	1.231332076	-0.144930965 Hartree
38	BD(1)H9(C8) 9s(100.00%)	0.759848054	0.082716955 Hartree
39	BD(1)C12(N13) 12s(33.23%)p2.01(66.71%)d0.00(0.06%)	0.809426300	0.032504902 Hartree
40	BD(1)N13(C12) 13s(39.19%)p1.55(60.62%)d0.00(0.19%)	1.187200367	-0.252508065 Hartree
41	BD(2)C12(N13) 12s(0.29%)p99.99(99.62%)d0.32(0.09%)	0.874536764	-0.100998212 Hartree
42	BD(2)N13(C12) 13s(0.30%)p99.99(99.47%)d0.79(0.24%)	1.181658684	-0.161469789 Hartree
43	BD(1)C12(H28) 12s(32.33%)p2.09(67.61%)d0.00(0.06%)	1.230208998	-0.148427886 Hartree
44	BD(1)H28(C12) 28s(100.00%)	0.794151508	0.082752338 Hartree
45	BD(1)N13(C14) 13s(32.89%)p2.04(66.95%)d0.00(0.15%)	1.177533727	-0.245661963 Hartree
46	BD(1)C14(N13) 14s(28.65%)p2.49(71.29%)d0.00(0.06%)	0.827501483	-0.032108612 Hartree
47	BD(1)C14(C15) 14s(36.21%)p1.76(63.76%)d0.00(0.04%)	1.011804559	-0.055008284 Hartree
48	BD(1)C15(C14) 15s(34.55%)p1.89(65.41%)d0.00(0.04%)	0.995555917	-0.040616171 Hartree
49	BD(2)C14(C15) 14s(0.01%)p1.00(99.96%)d0.00(0.03%)	1.004323663	-0.088427876 Hartree
50	BD(2)C15(C14) 15s(0.02%)p99.99(99.94%)d1.77(0.04%)	1.018436541	-0.091893958 Hartree
51	BD(1)C14(C19) 14s(35.02%)p1.85(64.95%)d0.00(0.04%)	1.013686264	-0.051024088 Hartree
52	BD(1)C19(C14) 19s(34.55%)p1.89(65.40%)d0.00(0.04%)	0.984154864	-0.035107749 Hartree
53	BD(1)C15(C16) 15s(35.92%)p1.78(64.04%)d0.00(0.04%)	0.997711564	-0.035658498 Hartree
54	BD(1)C16(C15) 16s(35.47%)p1.82(64.49%)d0.00(0.04%)	0.993574999	-0.036341054 Hartree
55	BD(1)C15(H27) 15s(29.47%)p2.39(70.48%)d0.00(0.05%)	1.230701684	-0.125922929 Hartree
56	BD(1)H27(C15) 27s(100.00%)	0.762429627	0.101720214 Hartree
57	BD(1)C16(C17) 16s(35.50%)p1.82(64.46%)d0.00(0.04%)	0.988104530	-0.031665408 Hartree
58	BD(1)C17(C16) 17s(34.29%)p1.91(65.67%)d0.00(0.04%)	1.010432422	-0.044749972 Hartree
59	BD(2)C16(C17) 16s(0.00%)p1.00(99.96%)d0.00(0.04%)	1.008160254	-0.089852509 Hartree
60	BD(2)C17(C16) 17s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.995022320	-0.081808772 Hartree
61	BD(1)C16(H26) 16s(28.99%)p2.45(70.95%)d0.00(0.05%)	1.227724422	-0.123516193 Hartree
62	BD(1)H26(C16) 26s(100.00%)	0.767373229	0.100153662 Hartree
63	BD(1)C17(C18) 17s(34.12%)p1.93(65.84%)d0.00(0.04%)	1.011188359	-0.046211092 Hartree
64	BD(1)C18(C17) 18s(35.34%)p1.83(64.62%)d0.00(0.04%)	0.987498265	-0.031876989 Hartree
65	BD(1)C17(C22) 17s(31.54%)p2.17(68.43%)d0.00(0.03%)	1.012930779	-0.092597450 Hartree
66	BD(1)C22(C17) 22s(28.72%)p2.48(71.24%)d0.00(0.05%)	0.986793410	-0.079405174 Hartree
67	BD(1)C18(C19) 18s(35.60%)p1.81(64.36%)d0.00(0.04%)	0.997274043	-0.035135246 Hartree
68	BD(1)C19(C18) 19s(35.78%)p1.79(64.18%)d0.00(0.04%)	0.994074913	-0.031432705 Hartree
69	BD(2)C18(C19) 18s(0.00%)p1.00(99.96%)d0.00(0.04%)	1.007726640	-0.089295703 Hartree
70	BD(2)C19(C18) 19s(0.00%)p1.00(99.95%)d0.00(0.04%)	0.996195215	-0.086679706 Hartree
71	BD(1)C18(H21) 18s(29.02%)p2.44(70.93%)d0.00(0.05%)	1.227889571	-0.122619956 Hartree
72	BD(1)H21(C18) 21s(100.00%)	0.767013832	0.101201064 Hartree
73	BD(1)C19(H20) 19s(29.62%)p2.37(70.33%)d0.00(0.05%)	1.237691144	-0.121196128 Hartree
74	BD(1)H20(C19) 20s(100.00%)	0.755538505	0.112577117 Hartree
75	BD(1)C22(H23) 22s(23.84%)p3.19(76.10%)d0.00(0.06%)	1.232492089	-0.124239784 Hartree
76	BD(1)H23(C22) 23s(100.00%)	0.760607481	0.090043497 Hartree
77	BD(1)C22(H24) 22s(23.95%)p3.17(75.99%)d0.00(0.06%)	1.231905310	-0.123794990 Hartree
78	BD(1)H24(C22) 24s(100.00%)	0.762555432	0.090166913 Hartree
79	BD(1)C22(H25) 22s(23.48%)p3.26(76.46%)d0.00(0.06%)	1.232592570	-0.125285735 Hartree
80	BD(1)H25(C22) 25s(100.00%)	0.756551038	0.089542369 Hartree
81	BD(1)O29(H30) 29s(21.98%)p3.54(77.92%)d0.00(0.10%)	1.514667955	-0.455362283 Hartree
82	BD(1)H30(O29) 30s(100.00%)	0.491462049	0.144820786 Hartree
83	CR(1)C1 s(100.00%)p0.00(0.00%)	1.999435565	-10.145207757 Hartree
84	CR(1)O2 s(100.00%)	1.999737554	-18.991917858 Hartree
85	CR(1)C3 s(100.00%)	1.998724563	-10.115785145 Hartree
86	CR(1)C4 s(100.00%)p0.00(0.00%)	1.998712718	-10.115968024 Hartree
87	CR(1)C5 s(100.00%)p0.00(0.00%)	1.998962818	-10.041942450 Hartree
88	CR(1)C6 s(100.00%)p0.00(0.00%)	1.999074337	-10.033412470 Hartree
89	CR(1)C7 s(100.00%)p0.00(0.00%)	1.999112543	-10.040362365 Hartree
90	CR(1)C8 s(100.00%)p0.00(0.00%)	1.999025293	-10.049810585 Hartree
91	CR(1)C12 s(100.00%)p0.00(0.00%)	1.999239457	-10.084796311 Hartree
92	CR(1)N13 s(100.00%)p0.00(0.00%)	1.999355512	-14.124715098 Hartree
93	CR(1)C14 s(100.00%)p0.00(0.00%)	1.998944314	-10.063067205 Hartree
94	CR(1)C15 s(100.00%)p0.00(0.00%)	1.999027710	-10.029906846 Hartree
95	CR(1)C16 s(100.00%)p0.00(0.00%)	1.999036445	-10.028487230 Hartree
96	CR(1)C17 s(100.00%)	1.999028818	-10.037087656 Hartree
97	CR(1)C18 s(100.00%)p0.00(0.00%)	1.999032191	-10.027528838 Hartree
98	CR(1)C19 s(100.00%)p0.00(0.00%)	1.999035323	-10.026242609 Hartree
99	CR(1)C22 s(100.00%)p0.00(0.00%)	1.999391894	-10.045107049 Hartree
100	CR(1)O29 s(100.00%)p0.00(0.00%)	1.999779985	-18.978666095 Hartree
101	LP(1)O2 s(38.24%)p1.61(61.72%)d0.00(0.05%)	1.954780575	-0.564913278 Hartree
102	LP(2)O2 s(0.00%)p1.00(99.93%)d0.00(0.07%)	1.864013769	-0.323555745 Hartree
103	LP(1)N13 s(27.57%)p2.62(72.29%)d0.00(0.13%)	1.894418679	-0.322640474 Hartree
104	LP(1)O29 s(44.24%)p1.26(55.70%)d0.00(0.06%)	1.976197051	-0.590511439 Hartree
105	LP(2)O29 s(0.00%)p1.00(99.88%)d0.00(0.12%)	1.863538785	-0.313716552 Hartree
106	RY*(1)C1 s(19.56%)p2.66(52.07%)d1.45(28.37%)	0.002296076	1.153463135 Hartree
107	RY*(2)C1 s(1.50%)p64.17(96.02%)d1.66(2.48%)	0.001570026	0.696716023 Hartree
108	RY*(3)C1 s(0.00%)p1.00(1.35%)d72.90(98.65%)	0.001471774	1.959623690 Hartree
109	RY*(4)C1 s(9.40%)p2.25(21.11%)d7.39(69.49%)	0.000351199	1.699843477 Hartree
110	RY*(5)C1 s(0.00%)p1.00(94.35%)d0.06(5.65%)	0.000268779	0.615654146 Hartree
111	RY*(6)C1 s(14.18%)p0.23(3.22%)d5.83(82.60%)	0.000029220	2.065623727 Hartree
112	RY*(7)C1 s(59.26%)p0.45(26.63%)d0.24(14.11%)	0.000003077	1.103302393 Hartree
113	RY*(8)C1 s(0.44%)p9.36(4.15%)d99.99(95.41%)	0.000001884	1.913898259 Hartree
114	RY*(9)C1 s(95.28%)p0.01(1.18%)d0.04(3.54%)	0.000001954	4.007809199 Hartree
115	RY*(10)C1 s(0.30%)p1.64(0.49%)d99.99(99.22%)	0.000004458	2.073008485 Hartree
116	RY*(1)O2 s(21.46%)p3.20(68.74%)d0.46(9.80%)	0.002679828	1.202303743 Hartree
117	RY*(2)O2 s(0.01%)p1.00(96.81%)d0.03(3.19%)	0.002572131	1.040375928 Hartree
118	RY*(3)O2 s(17.27%)p4.24(73.32%)d0.54(9.41%)	0.000612082	1.687600499 Hartree
119	RY*(4)O2 s(0.00%)p0.00(0.01%)d1.00(99.99%)	0.000273770	1.977490362 Hartree
120	RY*(5)O2 s(50.03%)p0.38(18.93%)d0.62(31.04%)	0.000228895	2.344729933 Hartree
121	RY*(6)O2 s(13.07%)p2.18(28.55%)d4.47(58.38%)	0.000080620	2.203195511 Hartree
122	RY*(7)O2 s(95.96%)p0.01(0.56%)d0.04(3.48%)	0.000054966	3.602552295 Hartree
123	RY*(8)O2 s(1.30%)p4.77(6.21%)d71.10(92.49%)	0.000027934	2.178026159 Hartree
124	RY*(9)O2 s(0.08%)p42.20(3.29%)d99.99(96.63%)	0.000011090	1.910649568 Hartree
125	RY*(10)O2 s(0.84%)p4.55(3.82%)d99.99(95.34%)	0.000012893	2.352085829 Hartree
126	RY*(1)C3 s(2.52%)p38.18(96.27%)d0.48(1.21%)	0.006625138	0.992032630 Hartree
127	RY*(2)C3 s(0.23%)p99.99(84.81%)d65.31(14.96%)	0.004249071	1.273459906 Hartree
128	RY*(3)C3 s(0.00%)p1.00(0.97%)d99.99(99.03%)	0.002100547	1.941772258 Hartree
129	RY*(4)C3 s(64.48%)p0.05(3.00%)d0.50(32.52%)	0.001255529	1.674338045 Hartree
130	RY*(5)C3 s(0.00%)p1.00(8.22%)d11.17(91.78%)	0.000700542	1.815716442 Hartree
131	RY*(6)C3 s(0.01%)p1.00(90.85%)d0.10(9.14%)	0.000477338	0.762017550 Hartree
132	RY*(7)C3 s(40.66%)p0.01(0.45%)d1.45(58.89%)	0.000337273	2.012296780 Hartree
133	RY*(8)C3 s(1.02%)p14.59(14.86%)d82.62(84.13%)	0.000193326	2.253862017 Hartree
134	RY*(9)C3 s(83.81%)p0.01(0.61%)d0.19(15.57%)	0.000094446	3.854887908 Hartree
135	RY*(10)C3 s(7.43%)p0.02(0.14%)d12.44(92.43%)	0.000022969	2.422863500 Hartree
136	RY*(1)C4 s(2.22%)p43.19(95.79%)d0.90(1.99%)	0.007179559	0.980778276 Hartree
137	RY*(2)C4 s(0.81%)p99.99(93.25%)d7.32(5.94%)	0.003934871	1.089366962 Hartree
138	RY*(3)C4 s(0.00%)p1.00(2.71%)d35.96(97.29%)	0.002424153	1.907405799 Hartree
139	RY*(4)C4 s(46.51%)p0.04(1.80%)d1.11(51.69%)	0.001459456	1.985336403 Hartree
140	RY*(5)C4 s(0.00%)p1.00(4.16%)d23.03(95.84%)	0.000715240	1.863555539 Hartree
141	RY*(6)C4 s(23.35%)p0.29(6.87%)d2.99(69.78%)	0.000517308	2.039276759 Hartree
142	RY*(7)C4 s(0.03%)p99.99(93.14%)d99.99(6.83%)	0.000305702	0.746326667 Hartree
143	RY*(8)C4 s(27.54%)p0.07(2.00%)d2.56(70.46%)	0.000206365	2.147605005 Hartree
144	RY*(9)C4 s(95.91%)p0.00(0.21%)d0.04(3.88%)	0.000106807	3.815803855 Hartree
145	RY*(10)C4 s(3.80%)p0.06(0.22%)d25.27(95.98%)	0.000025798	2.414560211 Hartree
146	RY*(1)C5 s(0.26%)p99.99(97.37%)d9.23(2.37%)	0.006855165	1.260262283 Hartree
147	RY*(2)C5 s(0.95%)p99.18(94.31%)d4.98(4.74%)	0.004902336	1.325907016 Hartree
148	RY*(3)C5 s(2.06%)p35.72(73.41%)d11.94(24.53%)	0.000979869	1.025835491 Hartree
149	RY*(4)C5 s(93.99%)p0.01(1.15%)d0.05(4.85%)	0.000701916	1.167582682 Hartree
150	RY*(5)C5 s(1.05%)p4.46(4.69%)d89.63(94.26%)	0.000621603	1.868896616 Hartree
151	RY*(6)C5 s(0.71%)p30.13(21.49%)d99.99(77.79%)	0.000316389	1.647662325 Hartree
152	RY*(7)C5 s(2.64%)p1.47(3.88%)d35.36(93.48%)	0.000149355	2.501228119 Hartree
153	RY*(8)C5 s(50.46%)p0.02(1.19%)d0.96(48.35%)	0.000086866	3.356408276 Hartree
154	RY*(9)C5 s(46.39%)p0.05(2.20%)d1.11(51.41%)	0.000037655	3.211790618 Hartree
155	RY*(10)C5 s(1.53%)p0.26(0.39%)d64.17(98.08%)	0.000032045	2.325465216 Hartree
156	RY*(1)C6 s(0.02%)p99.99(94.57%)d99.99(5.42%)	0.004735591	1.270290740 Hartree
157	RY*(2)C6 s(0.19%)p99.99(97.38%)d12.88(2.43%)	0.003274087	0.827181311 Hartree
158	RY*(3)C6 s(0.00%)p1.00(30.56%)d2.27(69.44%)	0.000708105	1.549904775 Hartree
159	RY*(4)C6 s(0.09%)p99.99(61.71%)d99.99(38.20%)	0.000452089	1.119230956 Hartree
160	RY*(5)C6 s(90.01%)p0.01(0.62%)d0.10(9.37%)	0.000245839	1.271769374 Hartree
161	RY*(6)C6 s(7.27%)p0.13(0.94%)d12.62(91.78%)	0.000080072	2.320354017 Hartree
162	RY*(7)C6 s(65.42%)p0.00(0.12%)d0.53(34.46%)	0.000045972	3.558268139 Hartree
163	RY*(8)C6 s(2.52%)p2.57(6.49%)d36.07(90.99%)	0.000041074	2.268629303 Hartree
164	RY*(9)C6 s(1.03%)p7.39(7.58%)d89.07(91.39%)	0.000013367	1.783275902 Hartree
165	RY*(10)C6 s(33.50%)p0.01(0.17%)d1.98(66.33%)	0.000009345	2.865352469 Hartree
166	RY*(1)C7 s(0.40%)p99.99(92.57%)d17.49(7.03%)	0.004746798	1.281699469 Hartree
167	RY*(2)C7 s(0.02%)p99.99(98.74%)d69.29(1.25%)	0.003018926	0.722266432 Hartree
168	RY*(3)C7 s(0.00%)p1.00(33.36%)d2.00(66.64%)	0.000755916	1.502267657 Hartree
169	RY*(4)C7 s(0.00%)p1.00(56.45%)d0.77(43.55%)	0.000460030	1.175844841 Hartree
170	RY*(5)C7 s(96.50%)p0.00(0.21%)d0.03(3.29%)	0.000284144	1.281393919 Hartree
171	RY*(6)C7 s(5.90%)p0.20(1.18%)d15.74(92.91%)	0.000099687	2.460046151 Hartree
172	RY*(7)C7 s(46.96%)p0.01(0.65%)d1.12(52.40%)	0.000042315	3.222206631 Hartree
173	RY*(8)C7 s(10.73%)p0.63(6.74%)d7.69(82.53%)	0.000015842	2.251223686 Hartree
174	RY*(9)C7 s(1.64%)p5.99(9.80%)d54.12(88.56%)	0.000002927	1.762430254 Hartree
175	RY*(10)C7 s(37.90%)p0.01(0.44%)d1.63(61.67%)	0.000008189	2.905037986 Hartree
176	RY*(1)C8 s(0.05%)p99.99(92.26%)d99.99(7.69%)	0.003499485	1.288648457 Hartree
177	RY*(2)C8 s(0.69%)p99.99(97.94%)d2.01(1.38%)	0.002754563	0.813507101 Hartree
178	RY*(3)C8 s(0.00%)p1.00(46.25%)d1.16(53.75%)	0.000784926	1.330515358 Hartree
179	RY*(4)C8 s(0.00%)p1.00(50.02%)d1.00(49.98%)	0.000640004	1.270584222 Hartree
180	RY*(5)C8 s(94.05%)p0.01(1.01%)d0.05(4.93%)	0.000329015	1.167367089 Hartree
181	RY*(6)C8 s(2.68%)p0.96(2.58%)d35.38(94.74%)	0.000065767	2.409467227 Hartree
182	RY*(7)C8 s(70.20%)p0.01(0.52%)d0.42(29.28%)	0.000041456	3.619976311 Hartree
183	RY*(8)C8 s(4.74%)p1.20(5.69%)d18.90(89.57%)	0.000038730	2.247734896 Hartree
184	RY*(9)C8 s(0.02%)p99.99(3.79%)d99.99(96.20%)	0.000027303	1.776603603 Hartree
185	RY*(10)C8 s(27.62%)p0.00(0.09%)d2.62(72.29%)	0.000012112	2.783018287 Hartree
186	RY*(1)H9 s(100.00%)	0.000841933	0.618630764 Hartree
187	RY*(1)H10 s(100.00%)	0.000780414	0.569388685 Hartree
188	RY*(1)H11 s(100.00%)	0.001502131	0.625616582 Hartree
189	RY*(1)C12 s(17.20%)p4.56(78.38%)d0.26(4.42%)	0.006422502	1.017313398 Hartree
190	RY*(2)C12 s(28.99%)p1.75(50.70%)d0.70(20.31%)	0.004266506	1.362917387 Hartree
191	RY*(3)C12 s(23.72%)p2.98(70.72%)d0.23(5.55%)	0.001711030	1.055088776 Hartree
192	RY*(4)C12 s(6.51%)p7.98(51.94%)d6.38(41.55%)	0.001188954	1.305701886 Hartree
193	RY*(5)C12 s(4.46%)p8.15(36.33%)d13.28(59.21%)	0.000573191	1.624163379 Hartree
194	RY*(6)C12 s(16.60%)p0.38(6.38%)d4.64(77.03%)	0.000156944	2.147612894 Hartree
195	RY*(7)C12 s(39.95%)p0.03(1.17%)d1.47(58.87%)	0.000107811	2.636366850 Hartree
196	RY*(8)C12 s(46.51%)p0.07(3.24%)d1.08(50.26%)	0.000043271	3.373229117 Hartree
197	RY*(9)C12 s(3.70%)p0.31(1.15%)d25.73(95.15%)	0.000014031	1.971898055 Hartree
198	RY*(10)C12 s(12.27%)p0.03(0.36%)d7.12(87.38%)	0.000012431	2.403914390 Hartree
199	RY*(1)N13 s(8.12%)p11.10(90.15%)d0.21(1.73%)	0.005154293	0.946702219 Hartree
200	RY*(2)N13 s(0.98%)p99.49(97.53%)d1.52(1.49%)	0.002368014	1.199045911 Hartree
201	RY*(3)N13 s(0.88%)p95.82(83.85%)d17.46(15.28%)	0.000872490	1.069397604 Hartree
202	RY*(4)N13 s(16.38%)p0.54(8.82%)d4.57(74.80%)	0.000345622	1.833301461 Hartree
203	RY*(5)N13 s(41.16%)p0.32(13.18%)d1.11(45.66%)	0.000153833	1.801421322 Hartree
204	RY*(6)N13 s(24.68%)p0.13(3.30%)d2.92(72.02%)	0.000096639	2.088424469 Hartree
205	RY*(7)N13 s(1.13%)p2.07(2.35%)d85.15(96.52%)	0.000044759	2.124519812 Hartree
206	RY*(8)N13 s(32.79%)p0.01(0.24%)d2.04(66.97%)	0.000034565	2.448780634 Hartree
207	RY*(9)N13 s(73.84%)p0.01(0.64%)d0.35(25.53%)	0.000009181	3.622633586 Hartree
208	RY*(10)N13 s(0.10%)p6.43(0.62%)d99.99(99.28%)	0.000008753	1.868959516 Hartree
209	RY*(1)C14 s(1.10%)p82.94(91.41%)d6.79(7.49%)	0.006910493	1.183438456 Hartree
210	RY*(2)C14 s(0.59%)p99.99(97.14%)d3.84(2.27%)	0.005949662	1.037520938 Hartree
211	RY*(3)C14 s(43.26%)p0.69(30.00%)d0.62(26.74%)	0.001864562	1.393880514 Hartree
212	RY*(4)C14 s(18.35%)p1.29(23.72%)d3.16(57.93%)	0.001233249	1.733009068 Hartree
213	RY*(5)C14 s(0.56%)p19.00(10.64%)d99.99(88.80%)	0.000692140	1.843978784 Hartree
214	RY*(6)C14 s(3.70%)p9.82(36.39%)d16.17(59.91%)	0.000527816	1.632760415 Hartree
215	RY*(7)C14 s(32.89%)p0.13(4.21%)d1.91(62.90%)	0.000218012	1.943684195 Hartree
216	RY*(8)C14 s(13.42%)p0.33(4.42%)d6.12(82.16%)	0.000095115	2.492715010 Hartree
217	RY*(9)C14 s(67.50%)p0.03(1.81%)d0.45(30.69%)	0.000066057	3.854367696 Hartree
218	RY*(10)C14 s(18.74%)p0.02(0.31%)d4.32(80.95%)	0.000009368	2.560174208 Hartree
219	RY*(1)C15 s(0.12%)p99.99(92.44%)d63.16(7.44%)	0.004047578	1.277044780 Hartree
220	RY*(2)C15 s(0.03%)p99.99(97.98%)d69.03(1.99%)	0.002687774	0.829526322 Hartree
221	RY*(3)C15 s(30.68%)p0.34(10.32%)d1.92(59.00%)	0.000689913	1.570979101 Hartree
222	RY*(4)C15 s(22.68%)p1.57(35.51%)d1.84(41.81%)	0.000570150	1.295715811 Hartree
223	RY*(5)C15 s(41.81%)p1.14(47.67%)d0.25(10.52%)	0.000432894	0.960683164 Hartree
224	RY*(6)C15 s(4.90%)p0.33(1.61%)d19.08(93.49%)	0.000088150	2.368247758 Hartree
225	RY*(7)C15 s(74.77%)p0.00(0.24%)d0.33(24.99%)	0.000041676	3.777061620 Hartree
226	RY*(8)C15 s(1.28%)p5.50(7.03%)d71.73(91.69%)	0.000040796	2.248564803 Hartree
227	RY*(9)C15 s(17.67%)p0.18(3.17%)d4.48(79.15%)	0.000010607	2.404433981 Hartree
228	RY*(10)C15 s(6.11%)p0.68(4.15%)d14.69(89.74%)	0.000015132	2.113743356 Hartree
229	RY*(1)C16 s(0.03%)p99.99(92.55%)d99.99(7.42%)	0.004804478	1.293552145 Hartree
230	RY*(2)C16 s(0.15%)p99.99(97.68%)d14.07(2.17%)	0.002683846	0.772087348 Hartree
231	RY*(3)C16 s(0.18%)p7.18(1.27%)d99.99(98.55%)	0.000668988	1.951370642 Hartree
232	RY*(4)C16 s(10.94%)p7.33(80.27%)d0.80(8.79%)	0.000445267	0.769747880 Hartree
233	RY*(5)C16 s(83.89%)p0.11(9.53%)d0.08(6.58%)	0.000284538	1.144877257 Hartree
234	RY*(6)C16 s(4.36%)p0.46(2.01%)d21.46(93.63%)	0.000089050	2.354433187 Hartree
235	RY*(7)C16 s(64.86%)p0.00(0.27%)d0.54(34.87%)	0.000044840	3.568061363 Hartree
236	RY*(8)C16 s(23.84%)p0.14(3.44%)d3.05(72.72%)	0.000013428	2.552555339 Hartree
237	RY*(9)C16 s(3.07%)p2.56(7.84%)d29.06(89.10%)	0.000017685	2.172176537 Hartree
238	RY*(10)C16 s(8.72%)p0.60(5.27%)d9.86(86.01%)	0.000011409	2.133441665 Hartree
239	RY*(1)C17 s(2.87%)p31.54(90.44%)d2.33(6.69%)	0.004889828	1.322831930 Hartree
240	RY*(2)C17 s(0.01%)p1.00(95.66%)d0.05(4.33%)	0.003799186	0.976011137 Hartree
241	RY*(3)C17 s(1.32%)p65.50(86.23%)d9.46(12.45%)	0.001847666	0.858339594 Hartree
242	RY*(4)C17 s(0.00%)p1.00(0.32%)d99.99(99.67%)	0.000621967	1.942870597 Hartree
243	RY*(5)C17 s(70.77%)p0.06(4.35%)d0.35(24.89%)	0.000264324	1.363401800 Hartree
244	RY*(6)C17 s(23.63%)p0.18(4.14%)d3.06(72.23%)	0.000231770	2.062399162 Hartree
245	RY*(7)C17 s(0.82%)p14.14(11.56%)d99.99(87.62%)	0.000173210	1.782751119 Hartree
246	RY*(8)C17 s(33.73%)p0.12(4.00%)d1.85(62.27%)	0.000074157	3.034539408 Hartree
247	RY*(9)C17 s(40.70%)p0.08(3.36%)d1.37(55.94%)	0.000049186	3.075565631 Hartree
248	RY*(10)C17 s(26.20%)p0.00(0.04%)d2.82(73.76%)	0.000008206	2.755948145 Hartree
249	RY*(1)C18 s(0.02%)p99.99(92.39%)d99.99(7.59%)	0.004692067	1.303213948 Hartree
250	RY*(2)C18 s(0.06%)p99.99(97.59%)d40.78(2.35%)	0.002590074	0.775325444 Hartree
251	RY*(3)C18 s(0.07%)p62.98(4.71%)d99.99(95.21%)	0.000656420	1.905049596 Hartree
252	RY*(4)C18 s(9.34%)p8.22(76.79%)d1.49(13.87%)	0.000384415	0.824200184 Hartree
253	RY*(5)C18 s(87.29%)p0.09(7.92%)d0.05(4.79%)	0.000253708	1.113622527 Hartree
254	RY*(6)C18 s(5.03%)p0.41(2.05%)d18.48(92.93%)	0.000093518	2.422637508 Hartree
255	RY*(7)C18 s(64.24%)p0.01(0.36%)d0.55(35.40%)	0.000043465	3.577687560 Hartree
256	RY*(8)C18 s(2.15%)p3.40(7.29%)d42.20(90.56%)	0.000020810	2.209487885 Hartree
257	RY*(9)C18 s(16.88%)p0.24(4.03%)d4.69(79.09%)	0.000008694	2.364920504 Hartree
258	RY*(10)C18 s(14.97%)p0.47(7.00%)d5.21(78.02%)	0.000006958	2.242489908 Hartree
259	RY*(1)C19 s(0.27%)p99.99(94.34%)d20.06(5.39%)	0.005046203	1.266951863 Hartree
260	RY*(2)C19 s(0.23%)p99.99(97.89%)d8.35(1.88%)	0.003229840	0.779400798 Hartree
261	RY*(3)C19 s(0.14%)p76.93(10.69%)d99.99(89.17%)	0.000625339	1.826732990 Hartree
262	RY*(4)C19 s(0.23%)p99.99(84.85%)d64.90(14.92%)	0.000560392	0.820856533 Hartree
263	RY*(5)C19 s(94.90%)p0.01(0.54%)d0.05(4.56%)	0.000384934	1.169855921 Hartree
264	RY*(6)C19 s(2.35%)p0.79(1.87%)d40.73(95.78%)	0.000094455	2.344945606 Hartree
265	RY*(7)C19 s(71.64%)p0.00(0.05%)d0.40(28.31%)	0.000043499	3.715252488 Hartree
266	RY*(8)C19 s(6.98%)p0.48(3.35%)d12.85(89.67%)	0.000017279	2.207026855 Hartree
267	RY*(9)C19 s(2.73%)p1.69(4.61%)d34.00(92.67%)	0.000023857	2.219520858 Hartree
268	RY*(10)C19 s(20.58%)p0.09(1.94%)d3.77(77.48%)	0.000016247	2.455101205 Hartree
269	RY*(1)H20 s(100.00%)	0.001427371	0.582803789 Hartree
270	RY*(1)H21 s(100.00%)	0.001031835	0.582416427 Hartree
271	RY*(1)C22 s(0.00%)p1.00(92.11%)d0.09(7.89%)	0.002659937	0.803421465 Hartree
272	RY*(2)C22 s(0.16%)p99.99(35.30%)d99.99(64.54%)	0.000608335	1.573312312 Hartree
273	RY*(3)C22 s(16.51%)p4.94(81.60%)d0.11(1.89%)	0.000385182	0.677679041 Hartree
274	RY*(4)C22 s(6.32%)p8.89(56.20%)d5.93(37.48%)	0.000036877	1.328764204 Hartree
275	RY*(5)C22 s(83.31%)p0.20(16.50%)d0.00(0.19%)	0.000008846	1.239255234 Hartree
276	RY*(6)C22 s(0.01%)p1.00(6.45%)d14.50(93.54%)	0.000006410	1.988423583 Hartree
277	RY*(7)C22 s(93.65%)p0.04(3.98%)d0.03(2.37%)	0.000004937	3.980220566 Hartree
278	RY*(8)C22 s(0.03%)p63.82(2.15%)d99.99(97.82%)	0.000006293	1.944493643 Hartree
279	RY*(9)C22 s(0.01%)p99.99(4.12%)d99.99(95.87%)	0.000013656	2.166936753 Hartree
280	RY*(10)C22 s(0.00%)p1.00(1.81%)d54.26(98.19%)	0.000007655	2.093367728 Hartree
281	RY*(1)H23 s(100.00%)	0.000914162	0.660066677 Hartree
282	RY*(1)H24 s(100.00%)	0.000879210	0.662610573 Hartree
283	RY*(1)H25 s(100.00%)	0.001026782	0.654487002 Hartree
284	RY*(1)H26 s(100.00%)	0.001086663	0.584508685 Hartree
285	RY*(1)H27 s(100.00%)	0.001153756	0.611595479 Hartree
286	RY*(1)H28 s(100.00%)	0.003318843	0.670333315 Hartree
287	RY*(1)O29 s(0.00%)p1.00(90.92%)d0.10(9.08%)	0.001556743	1.020964975 Hartree
288	RY*(2)O29 s(4.57%)p18.82(86.07%)d2.05(9.36%)	0.001297564	1.283517212 Hartree
289	RY*(3)O29 s(56.68%)p0.67(38.04%)d0.09(5.28%)	0.000148978	1.807917697 Hartree
290	RY*(4)O29 s(36.44%)p1.72(62.55%)d0.03(1.01%)	0.000092863	1.368444557 Hartree
291	RY*(5)O29 s(3.13%)p3.06(9.58%)d27.86(87.29%)	0.000063459	2.155117523 Hartree
292	RY*(6)O29 s(76.87%)p0.01(1.10%)d0.29(22.03%)	0.000027604	3.602922332 Hartree
293	RY*(7)O29 s(0.03%)p7.22(0.18%)d99.99(99.79%)	0.000022082	1.770266139 Hartree
294	RY*(8)O29 s(0.47%)p17.83(8.43%)d99.99(91.10%)	0.000007164	1.926841656 Hartree
295	RY*(9)O29 s(4.97%)p0.27(1.36%)d18.84(93.66%)	0.000014151	2.765321543 Hartree
296	RY*(10)O29 s(16.86%)p0.12(2.10%)d4.81(81.04%)	0.000007653	2.360279815 Hartree
297	RY*(1)H30 s(100.00%)	0.002385481	0.638347326 Hartree
298	RY*(1)H31 s(100.00%)	0.000514278	0.583967274 Hartree
299	RY*(1)H32 s(100.00%)	0.001770176	0.634440490 Hartree
300	RY*(1)H33 s(100.00%)	0.001771525	0.634560347 Hartree

Natural Bond Orbitals

Display Range		- / 300
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	BD(1)C1-O2	1, 2	1.992861465	-0.833534123 Hartree
2	BD(1)C1-H31	3, 4	1.990930324	-0.539102203 Hartree
3	BD(1)C1-H32	5, 6	1.995959773	-0.540435373 Hartree
4	BD(1)C1-H33	7, 8	1.995960277	-0.540448050 Hartree
5	BD(1)O2-C3	9, 10	1.990814913	-0.891579593 Hartree
6	BD(1)C3-C4	11, 12	1.974042726	-0.706680148 Hartree
7	BD(1)C3-C8	13, 14	1.979033414	-0.715832512 Hartree
8	BD(2)C3-C8	15, 16	1.715884794	-0.262218445 Hartree
9	BD(1)C4-C5	17, 18	1.970980716	-0.697724335 Hartree
10	BD(2)C4-C5	19, 20	1.641243018	-0.248350465 Hartree
11	BD(1)C4-O29	21, 22	1.993967530	-0.903568938 Hartree
12	BD(1)C5-C6	23, 24	1.971022188	-0.669710023 Hartree
13	BD(1)C5-C12	25, 26	1.974077644	-0.648645157 Hartree
14	BD(1)C6-C7	27, 28	1.980527785	-0.687938122 Hartree
15	BD(2)C6-C7	29, 30	1.712681294	-0.239445439 Hartree
16	BD(1)C6-H11	31, 32	1.979436004	-0.501846222 Hartree
17	BD(1)C7-C8	33, 34	1.974672025	-0.680119228 Hartree
18	BD(1)C7-H10	35, 36	1.981778171	-0.512455185 Hartree
19	BD(1)C8-H9	37, 38	1.978576711	-0.529239874 Hartree
20	BD(1)C12-N13	39, 40	1.987146991	-0.856313692 Hartree
21	BD(2)C12-N13	41, 42	1.907814772	-0.307382764 Hartree
22	BD(1)C12-H28	43, 44	1.986987511	-0.521989850 Hartree
23	BD(1)N13-C14	45, 46	1.980968235	-0.747372318 Hartree
24	BD(1)C14-C15	47, 48	1.976097504	-0.674944823 Hartree
25	BD(2)C14-C15	49, 50	1.634502449	-0.230605589 Hartree
26	BD(1)C14-C19	51, 52	1.973690927	-0.668502212 Hartree
27	BD(1)C15-C16	53, 54	1.977542909	-0.675783996 Hartree
28	BD(1)C15-H27	55, 56	1.980299422	-0.506635187 Hartree
29	BD(1)C16-C17	57, 58	1.976096192	-0.671869882 Hartree
30	BD(2)C16-C17	59, 60	1.650854332	-0.227258480 Hartree
31	BD(1)C16-H26	61, 62	1.981855141	-0.503497734 Hartree
32	BD(1)C17-C18	63, 64	1.975879821	-0.669568544 Hartree
33	BD(1)C17-C22	65, 66	1.984392305	-0.605544337 Hartree
34	BD(1)C18-C19	67, 68	1.978407914	-0.675873763 Hartree
35	BD(2)C18-C19	69, 70	1.688948804	-0.230671868 Hartree
36	BD(1)C18-H21	71, 72	1.982004892	-0.502759885 Hartree
37	BD(1)C19-H20	73, 74	1.980913580	-0.499508710 Hartree
38	BD(1)C22-H23	75, 76	1.987024131	-0.489860062 Hartree
39	BD(1)C22-H24	77, 78	1.989463922	-0.490553144 Hartree
40	BD(1)C22-H25	79, 80	1.978923657	-0.487190989 Hartree
41	BD(1)O29-H30	81, 82	1.987693435	-0.733038495 Hartree
42	CR(1)C1	83	1.999435565	-10.145207757 Hartree
43	CR(1)O2	84	1.999737554	-18.991917858 Hartree
44	CR(1)C3	85	1.998724563	-10.115785145 Hartree
45	CR(1)C4	86	1.998712718	-10.115968024 Hartree
46	CR(1)C5	87	1.998962818	-10.041942450 Hartree
47	CR(1)C6	88	1.999074337	-10.033412470 Hartree
48	CR(1)C7	89	1.999112543	-10.040362365 Hartree
49	CR(1)C8	90	1.999025293	-10.049810585 Hartree
50	CR(1)C12	91	1.999239457	-10.084796311 Hartree
51	CR(1)N13	92	1.999355512	-14.124715098 Hartree
52	CR(1)C14	93	1.998944314	-10.063067205 Hartree
53	CR(1)C15	94	1.999027710	-10.029906846 Hartree
54	CR(1)C16	95	1.999036445	-10.028487230 Hartree
55	CR(1)C17	96	1.999028818	-10.037087656 Hartree
56	CR(1)C18	97	1.999032191	-10.027528838 Hartree
57	CR(1)C19	98	1.999035323	-10.026242609 Hartree
58	CR(1)C22	99	1.999391894	-10.045107049 Hartree
59	CR(1)O29	100	1.999779985	-18.978666095 Hartree
60	LP(1)O2	101	1.954780574	-0.564913278 Hartree
61	LP(2)O2	102	1.864013769	-0.323555745 Hartree
62	LP(1)N13	103	1.894418679	-0.322640474 Hartree
63	LP(1)O29	104	1.976197050	-0.590511439 Hartree
64	LP(2)O29	105	1.863538785	-0.313716552 Hartree
65	RY*(1)C1	106	0.002296076	1.153463135 Hartree
66	RY*(2)C1	107	0.001570026	0.696716023 Hartree
67	RY*(3)C1	108	0.001471774	1.959623690 Hartree
68	RY*(4)C1	109	0.000351199	1.699843477 Hartree
69	RY*(5)C1	110	0.000268779	0.615654146 Hartree
70	RY*(6)C1	111	0.000029220	2.065623727 Hartree
71	RY*(7)C1	112	0.000003077	1.103302393 Hartree
72	RY*(8)C1	113	0.000001884	1.913898259 Hartree
73	RY*(9)C1	114	0.000001954	4.007809199 Hartree
74	RY*(10)C1	115	0.000004458	2.073008485 Hartree
75	RY*(1)O2	116	0.002679828	1.202303743 Hartree
76	RY*(2)O2	117	0.002572131	1.040375928 Hartree
77	RY*(3)O2	118	0.000612082	1.687600499 Hartree
78	RY*(4)O2	119	0.000273770	1.977490362 Hartree
79	RY*(5)O2	120	0.000228895	2.344729933 Hartree
80	RY*(6)O2	121	0.000080620	2.203195511 Hartree
81	RY*(7)O2	122	0.000054966	3.602552295 Hartree
82	RY*(8)O2	123	0.000027934	2.178026159 Hartree
83	RY*(9)O2	124	0.000011090	1.910649568 Hartree
84	RY*(10)O2	125	0.000012893	2.352085829 Hartree
85	RY*(1)C3	126	0.006625138	0.992032630 Hartree
86	RY*(2)C3	127	0.004249071	1.273459906 Hartree
87	RY*(3)C3	128	0.002100547	1.941772258 Hartree
88	RY*(4)C3	129	0.001255529	1.674338045 Hartree
89	RY*(5)C3	130	0.000700542	1.815716442 Hartree
90	RY*(6)C3	131	0.000477338	0.762017550 Hartree
91	RY*(7)C3	132	0.000337273	2.012296780 Hartree
92	RY*(8)C3	133	0.000193326	2.253862017 Hartree
93	RY*(9)C3	134	0.000094446	3.854887908 Hartree
94	RY*(10)C3	135	0.000022969	2.422863500 Hartree
95	RY*(1)C4	136	0.007179559	0.980778276 Hartree
96	RY*(2)C4	137	0.003934871	1.089366962 Hartree
97	RY*(3)C4	138	0.002424153	1.907405799 Hartree
98	RY*(4)C4	139	0.001459456	1.985336403 Hartree
99	RY*(5)C4	140	0.000715240	1.863555539 Hartree
100	RY*(6)C4	141	0.000517308	2.039276759 Hartree
101	RY*(7)C4	142	0.000305702	0.746326667 Hartree
102	RY*(8)C4	143	0.000206365	2.147605005 Hartree
103	RY*(9)C4	144	0.000106807	3.815803855 Hartree
104	RY*(10)C4	145	0.000025798	2.414560211 Hartree
105	RY*(1)C5	146	0.006855165	1.260262283 Hartree
106	RY*(2)C5	147	0.004902336	1.325907016 Hartree
107	RY*(3)C5	148	0.000979869	1.025835491 Hartree
108	RY*(4)C5	149	0.000701916	1.167582682 Hartree
109	RY*(5)C5	150	0.000621603	1.868896616 Hartree
110	RY*(6)C5	151	0.000316389	1.647662325 Hartree
111	RY*(7)C5	152	0.000149355	2.501228119 Hartree
112	RY*(8)C5	153	0.000086866	3.356408276 Hartree
113	RY*(9)C5	154	0.000037655	3.211790618 Hartree
114	RY*(10)C5	155	0.000032045	2.325465216 Hartree
115	RY*(1)C6	156	0.004735591	1.270290740 Hartree
116	RY*(2)C6	157	0.003274087	0.827181311 Hartree
117	RY*(3)C6	158	0.000708105	1.549904775 Hartree
118	RY*(4)C6	159	0.000452089	1.119230956 Hartree
119	RY*(5)C6	160	0.000245839	1.271769374 Hartree
120	RY*(6)C6	161	0.000080072	2.320354017 Hartree
121	RY*(7)C6	162	0.000045972	3.558268139 Hartree
122	RY*(8)C6	163	0.000041074	2.268629303 Hartree
123	RY*(9)C6	164	0.000013367	1.783275902 Hartree
124	RY*(10)C6	165	0.000009345	2.865352469 Hartree
125	RY*(1)C7	166	0.004746798	1.281699469 Hartree
126	RY*(2)C7	167	0.003018926	0.722266432 Hartree
127	RY*(3)C7	168	0.000755916	1.502267657 Hartree
128	RY*(4)C7	169	0.000460030	1.175844841 Hartree
129	RY*(5)C7	170	0.000284144	1.281393919 Hartree
130	RY*(6)C7	171	0.000099687	2.460046151 Hartree
131	RY*(7)C7	172	0.000042315	3.222206631 Hartree
132	RY*(8)C7	173	0.000015842	2.251223686 Hartree
133	RY*(9)C7	174	0.000002927	1.762430254 Hartree
134	RY*(10)C7	175	0.000008189	2.905037986 Hartree
135	RY*(1)C8	176	0.003499485	1.288648457 Hartree
136	RY*(2)C8	177	0.002754563	0.813507101 Hartree
137	RY*(3)C8	178	0.000784926	1.330515358 Hartree
138	RY*(4)C8	179	0.000640004	1.270584222 Hartree
139	RY*(5)C8	180	0.000329015	1.167367089 Hartree
140	RY*(6)C8	181	0.000065767	2.409467227 Hartree
141	RY*(7)C8	182	0.000041456	3.619976311 Hartree
142	RY*(8)C8	183	0.000038730	2.247734896 Hartree
143	RY*(9)C8	184	0.000027303	1.776603603 Hartree
144	RY*(10)C8	185	0.000012112	2.783018287 Hartree
145	RY*(1)H9	186	0.000841933	0.618630764 Hartree
146	RY*(1)H10	187	0.000780414	0.569388685 Hartree
147	RY*(1)H11	188	0.001502131	0.625616582 Hartree
148	RY*(1)C12	189	0.006422502	1.017313398 Hartree
149	RY*(2)C12	190	0.004266506	1.362917387 Hartree
150	RY*(3)C12	191	0.001711030	1.055088776 Hartree
151	RY*(4)C12	192	0.001188954	1.305701886 Hartree
152	RY*(5)C12	193	0.000573191	1.624163379 Hartree
153	RY*(6)C12	194	0.000156944	2.147612894 Hartree
154	RY*(7)C12	195	0.000107811	2.636366850 Hartree
155	RY*(8)C12	196	0.000043271	3.373229117 Hartree
156	RY*(9)C12	197	0.000014031	1.971898055 Hartree
157	RY*(10)C12	198	0.000012431	2.403914390 Hartree
158	RY*(1)N13	199	0.005154293	0.946702219 Hartree
159	RY*(2)N13	200	0.002368014	1.199045911 Hartree
160	RY*(3)N13	201	0.000872490	1.069397604 Hartree
161	RY*(4)N13	202	0.000345622	1.833301461 Hartree
162	RY*(5)N13	203	0.000153833	1.801421322 Hartree
163	RY*(6)N13	204	0.000096639	2.088424469 Hartree
164	RY*(7)N13	205	0.000044759	2.124519812 Hartree
165	RY*(8)N13	206	0.000034565	2.448780634 Hartree
166	RY*(9)N13	207	0.000009181	3.622633586 Hartree
167	RY*(10)N13	208	0.000008753	1.868959516 Hartree
168	RY*(1)C14	209	0.006910493	1.183438456 Hartree
169	RY*(2)C14	210	0.005949662	1.037520938 Hartree
170	RY*(3)C14	211	0.001864562	1.393880514 Hartree
171	RY*(4)C14	212	0.001233249	1.733009068 Hartree
172	RY*(5)C14	213	0.000692140	1.843978784 Hartree
173	RY*(6)C14	214	0.000527816	1.632760415 Hartree
174	RY*(7)C14	215	0.000218012	1.943684195 Hartree
175	RY*(8)C14	216	0.000095115	2.492715010 Hartree
176	RY*(9)C14	217	0.000066057	3.854367696 Hartree
177	RY*(10)C14	218	0.000009368	2.560174208 Hartree
178	RY*(1)C15	219	0.004047578	1.277044780 Hartree
179	RY*(2)C15	220	0.002687774	0.829526322 Hartree
180	RY*(3)C15	221	0.000689913	1.570979101 Hartree
181	RY*(4)C15	222	0.000570150	1.295715811 Hartree
182	RY*(5)C15	223	0.000432894	0.960683164 Hartree
183	RY*(6)C15	224	0.000088150	2.368247758 Hartree
184	RY*(7)C15	225	0.000041676	3.777061620 Hartree
185	RY*(8)C15	226	0.000040796	2.248564803 Hartree
186	RY*(9)C15	227	0.000010607	2.404433981 Hartree
187	RY*(10)C15	228	0.000015132	2.113743356 Hartree
188	RY*(1)C16	229	0.004804478	1.293552145 Hartree
189	RY*(2)C16	230	0.002683846	0.772087348 Hartree
190	RY*(3)C16	231	0.000668988	1.951370642 Hartree
191	RY*(4)C16	232	0.000445267	0.769747880 Hartree
192	RY*(5)C16	233	0.000284538	1.144877257 Hartree
193	RY*(6)C16	234	0.000089050	2.354433187 Hartree
194	RY*(7)C16	235	0.000044840	3.568061363 Hartree
195	RY*(8)C16	236	0.000013428	2.552555339 Hartree
196	RY*(9)C16	237	0.000017685	2.172176537 Hartree
197	RY*(10)C16	238	0.000011409	2.133441665 Hartree
198	RY*(1)C17	239	0.004889828	1.322831930 Hartree
199	RY*(2)C17	240	0.003799186	0.976011137 Hartree
200	RY*(3)C17	241	0.001847666	0.858339594 Hartree
201	RY*(4)C17	242	0.000621967	1.942870597 Hartree
202	RY*(5)C17	243	0.000264324	1.363401800 Hartree
203	RY*(6)C17	244	0.000231770	2.062399162 Hartree
204	RY*(7)C17	245	0.000173210	1.782751119 Hartree
205	RY*(8)C17	246	0.000074157	3.034539408 Hartree
206	RY*(9)C17	247	0.000049186	3.075565631 Hartree
207	RY*(10)C17	248	0.000008206	2.755948145 Hartree
208	RY*(1)C18	249	0.004692067	1.303213948 Hartree
209	RY*(2)C18	250	0.002590074	0.775325444 Hartree
210	RY*(3)C18	251	0.000656420	1.905049596 Hartree
211	RY*(4)C18	252	0.000384415	0.824200184 Hartree
212	RY*(5)C18	253	0.000253708	1.113622527 Hartree
213	RY*(6)C18	254	0.000093518	2.422637508 Hartree
214	RY*(7)C18	255	0.000043465	3.577687560 Hartree
215	RY*(8)C18	256	0.000020810	2.209487885 Hartree
216	RY*(9)C18	257	0.000008694	2.364920504 Hartree
217	RY*(10)C18	258	0.000006958	2.242489908 Hartree
218	RY*(1)C19	259	0.005046203	1.266951863 Hartree
219	RY*(2)C19	260	0.003229840	0.779400798 Hartree
220	RY*(3)C19	261	0.000625339	1.826732990 Hartree
221	RY*(4)C19	262	0.000560392	0.820856533 Hartree
222	RY*(5)C19	263	0.000384934	1.169855921 Hartree
223	RY*(6)C19	264	0.000094455	2.344945606 Hartree
224	RY*(7)C19	265	0.000043499	3.715252488 Hartree
225	RY*(8)C19	266	0.000017279	2.207026855 Hartree
226	RY*(9)C19	267	0.000023857	2.219520858 Hartree
227	RY*(10)C19	268	0.000016247	2.455101205 Hartree
228	RY*(1)H20	269	0.001427371	0.582803789 Hartree
229	RY*(1)H21	270	0.001031835	0.582416427 Hartree
230	RY*(1)C22	271	0.002659937	0.803421465 Hartree
231	RY*(2)C22	272	0.000608335	1.573312312 Hartree
232	RY*(3)C22	273	0.000385182	0.677679041 Hartree
233	RY*(4)C22	274	0.000036877	1.328764204 Hartree
234	RY*(5)C22	275	0.000008846	1.239255234 Hartree
235	RY*(6)C22	276	0.000006410	1.988423583 Hartree
236	RY*(7)C22	277	0.000004937	3.980220566 Hartree
237	RY*(8)C22	278	0.000006293	1.944493643 Hartree
238	RY*(9)C22	279	0.000013656	2.166936753 Hartree
239	RY*(10)C22	280	0.000007655	2.093367728 Hartree
240	RY*(1)H23	281	0.000914162	0.660066677 Hartree
241	RY*(1)H24	282	0.000879210	0.662610573 Hartree
242	RY*(1)H25	283	0.001026782	0.654487002 Hartree
243	RY*(1)H26	284	0.001086663	0.584508685 Hartree
244	RY*(1)H27	285	0.001153756	0.611595479 Hartree
245	RY*(1)H28	286	0.003318843	0.670333315 Hartree
246	RY*(1)O29	287	0.001556743	1.020964975 Hartree
247	RY*(2)O29	288	0.001297564	1.283517212 Hartree
248	RY*(3)O29	289	0.000148978	1.807917697 Hartree
249	RY*(4)O29	290	0.000092863	1.368444557 Hartree
250	RY*(5)O29	291	0.000063459	2.155117523 Hartree
251	RY*(6)O29	292	0.000027604	3.602922332 Hartree
252	RY*(7)O29	293	0.000022082	1.770266139 Hartree
253	RY*(8)O29	294	0.000007164	1.926841656 Hartree
254	RY*(9)O29	295	0.000014151	2.765321543 Hartree
255	RY*(10)O29	296	0.000007653	2.360279815 Hartree
256	RY*(1)H30	297	0.002385481	0.638347326 Hartree
257	RY*(1)H31	298	0.000514278	0.583967274 Hartree
258	RY*(1)H32	299	0.001770176	0.634440490 Hartree
259	RY*(1)H33	300	0.001771525	0.634560347 Hartree
260	BD*(1)C1-O2		0.008286578	0.278532694 Hartree
261	BD*(1)C1-H31		0.007229946	0.443504554 Hartree
262	BD*(1)C1-H32		0.019166695	0.420716335 Hartree
263	BD*(1)C1-H33		0.019159543	0.420617419 Hartree
264	BD*(1)O2-C3		0.028558744	0.349881254 Hartree
265	BD*(1)C3-C4		0.034656616	0.537378224 Hartree
266	BD*(1)C3-C8		0.025387354	0.575538715 Hartree
267	BD*(2)C3-C8		0.389039263	0.028575558 Hartree
268	BD*(1)C4-C5		0.027253430	0.571330097 Hartree
269	BD*(2)C4-C5		0.415651852	0.036957797 Hartree
270	BD*(1)C4-O29		0.017338191	0.363047170 Hartree
271	BD*(1)C5-C6		0.021004483	0.574929430 Hartree
272	BD*(1)C5-C12		0.031201537	0.497142677 Hartree
273	BD*(1)C6-C7		0.013544356	0.611855514 Hartree
274	BD*(2)C6-C7		0.295904574	0.049951125 Hartree
275	BD*(1)C6-H11		0.014314370	0.499139868 Hartree
276	BD*(1)C7-C8		0.014975140	0.573934243 Hartree
277	BD*(1)C7-H10		0.012230864	0.482181555 Hartree
278	BD*(1)C8-H9		0.012603418	0.467025865 Hartree
279	BD*(1)C12-N13		0.009479675	0.636310529 Hartree
280	BD*(2)C12-N13		0.148380676	0.044914763 Hartree
281	BD*(1)C12-H28		0.037372995	0.456314302 Hartree
282	BD*(1)N13-C14		0.024066973	0.469601743 Hartree
283	BD*(1)C14-C15		0.031262971	0.579320368 Hartree
284	BD*(2)C14-C15		0.388257755	0.050283755 Hartree
285	BD*(1)C14-C19		0.024150200	0.582370375 Hartree
286	BD*(1)C15-C16		0.013743654	0.603784444 Hartree
287	BD*(1)C15-H27		0.012831889	0.482432472 Hartree
288	BD*(1)C16-C17		0.022440759	0.595454502 Hartree
289	BD*(2)C16-C17		0.352328242	0.055597199 Hartree
290	BD*(1)C16-H26		0.013242510	0.480135202 Hartree
291	BD*(1)C17-C18		0.022806801	0.591480464 Hartree
292	BD*(1)C17-C22		0.015331882	0.433541713 Hartree
293	BD*(1)C18-C19		0.012941041	0.609305812 Hartree
294	BD*(2)C18-C19		0.314973051	0.054696459 Hartree
295	BD*(1)C18-H21		0.012898512	0.481340992 Hartree
296	BD*(1)C19-H20		0.012316069	0.490889699 Hartree
297	BD*(1)C22-H23		0.006075439	0.455663774 Hartree
298	BD*(1)C22-H24		0.004996819	0.456925068 Hartree
299	BD*(1)C22-H25		0.010219951	0.451447623 Hartree
300	BD*(1)O29-H30		0.018436568	0.422496998 Hartree

Quote

... I FELL INTO A REVERIE ... THE ATOMS WERE GAMBOLING BEFORE MY EYES ... I SAW HOW TWO SMALL ONES UNITED TO FORM A PAIR; HOW THE LARGER ONES SEIZED TWO OF THE SMALLER ONES; HOW STILL LARGER ONES KEPT HOLD OF THREE OR FOUR SMALLER ONES ... I SAW HOW THE LARGER ONES FORMED A CHAIN ... THIS WAS THE ORIGIN OF THE STRUCTURE THEORY. -- C.F.KEKULE VON STRADONITZ