WebMO Job Summary

Overview

Quantity	Value
Route	#N M062X/cc-pVTZ SP GFINPUT POP=(FULL,NBORead) Geom=Connectivity
Stoichiometry	C₈H₉NO₂
Symmetry	C1
Basis	CC-pVTZ
RM062X Energy	-515.463400235 Hartree
Dipole Moment	2.6178 Debye
Server	chem344 (2215564)
CPU time	1754.6 sec

Rotational Constants

Constant	Frequency (GHz)	Frequency (cm^-1)
a	3.5950210	0.11991699271
b	0.5742393	0.01915456125
c	0.5203020	0.01735540659

Partial Charges

Atom	Symbol	Charge
1	C	-0.340014
2	C	0.297020
3	O	-0.252966
4	C	0.181037
5	C	-0.127301
6	C	-0.155674
7	C	0.223397
8	C	-0.152118
9	C	-0.128350
10	H	0.124328
11	H	0.095452
12	N	-0.420793
13	H	0.182732
14	H	0.183360
15	H	0.096167
16	H	0.114072
17	O	-0.309591
18	H	0.129882
19	H	0.128039
20	H	0.131322

Molecular Orbitals

Display Range		- / 456
Orbital	Symmetry	Occupancy	Energy	Actions
1	-	2	-19.67409 Hartree
2	-	2	-19.61372 Hartree
3	-	2	-14.75089 Hartree
4	-	2	-10.67556 Hartree
5	-	2	-10.59423 Hartree
6	-	2	-10.58331 Hartree
7	-	2	-10.54752 Hartree
8	-	2	-10.54408 Hartree
9	-	2	-10.54345 Hartree
10	-	2	-10.53982 Hartree
11	-	2	-10.53937 Hartree
12	-	2	-1.24043 Hartree
13	-	2	-1.15103 Hartree
14	-	2	-1.03185 Hartree
15	-	2	-0.95104 Hartree
16	-	2	-0.86809 Hartree
17	-	2	-0.85078 Hartree
18	-	2	-0.81650 Hartree
19	-	2	-0.72398 Hartree
20	-	2	-0.70710 Hartree
21	-	2	-0.65101 Hartree
22	-	2	-0.59973 Hartree
23	-	2	-0.59351 Hartree
24	-	2	-0.57733 Hartree
25	-	2	-0.56925 Hartree
26	-	2	-0.55192 Hartree
27	-	2	-0.51626 Hartree
28	-	2	-0.50624 Hartree
29	-	2	-0.49098 Hartree
30	-	2	-0.48672 Hartree
31	-	2	-0.48432 Hartree
32	-	2	-0.46707 Hartree
33	-	2	-0.45486 Hartree
34	-	2	-0.43689 Hartree
35	-	2	-0.41988 Hartree
36	-	2	-0.39438 Hartree
37	-	2	-0.36988 Hartree
38	-	2	-0.35607 Hartree
39	-	2	-0.31141 Hartree
40	-	2	-0.25831 Hartree
41	-	0	0.02192 Hartree
42	-	0	0.03485 Hartree
43	-	0	0.06035 Hartree
44	-	0	0.06809 Hartree
45	-	0	0.07393 Hartree
46	-	0	0.09227 Hartree
47	-	0	0.09494 Hartree
48	-	0	0.12446 Hartree
49	-	0	0.13587 Hartree
50	-	0	0.14448 Hartree
51	-	0	0.15116 Hartree
52	-	0	0.16982 Hartree
53	-	0	0.19420 Hartree
54	-	0	0.20145 Hartree
55	-	0	0.20703 Hartree
56	-	0	0.22196 Hartree
57	-	0	0.25483 Hartree
58	-	0	0.26006 Hartree
59	-	0	0.28646 Hartree
60	-	0	0.29271 Hartree
61	-	0	0.30132 Hartree
62	-	0	0.31407 Hartree
63	-	0	0.31997 Hartree
64	-	0	0.32426 Hartree
65	-	0	0.34097 Hartree
66	-	0	0.34486 Hartree
67	-	0	0.35547 Hartree
68	-	0	0.35884 Hartree
69	-	0	0.37521 Hartree
70	-	0	0.38542 Hartree
71	-	0	0.39447 Hartree
72	-	0	0.41340 Hartree
73	-	0	0.41996 Hartree
74	-	0	0.42617 Hartree
75	-	0	0.43203 Hartree
76	-	0	0.43928 Hartree
77	-	0	0.44687 Hartree
78	-	0	0.45061 Hartree
79	-	0	0.46149 Hartree
80	-	0	0.46727 Hartree
81	-	0	0.47996 Hartree
82	-	0	0.48083 Hartree
83	-	0	0.48756 Hartree
84	-	0	0.48858 Hartree
85	-	0	0.49829 Hartree
86	-	0	0.50549 Hartree
87	-	0	0.51201 Hartree
88	-	0	0.51388 Hartree
89	-	0	0.52610 Hartree
90	-	0	0.53205 Hartree
91	-	0	0.53658 Hartree
92	-	0	0.54759 Hartree
93	-	0	0.56228 Hartree
94	-	0	0.57105 Hartree
95	-	0	0.59144 Hartree
96	-	0	0.59398 Hartree
97	-	0	0.60905 Hartree
98	-	0	0.62667 Hartree
99	-	0	0.65178 Hartree
100	-	0	0.66300 Hartree
101	-	0	0.67623 Hartree
102	-	0	0.67799 Hartree
103	-	0	0.69690 Hartree
104	-	0	0.70869 Hartree
105	-	0	0.72289 Hartree
106	-	0	0.72899 Hartree
107	-	0	0.74499 Hartree
108	-	0	0.76463 Hartree
109	-	0	0.76994 Hartree
110	-	0	0.78127 Hartree
111	-	0	0.78440 Hartree
112	-	0	0.80755 Hartree
113	-	0	0.82080 Hartree
114	-	0	0.82968 Hartree
115	-	0	0.83649 Hartree
116	-	0	0.84573 Hartree
117	-	0	0.86024 Hartree
118	-	0	0.86679 Hartree
119	-	0	0.88681 Hartree
120	-	0	0.90235 Hartree
121	-	0	0.90958 Hartree
122	-	0	0.92403 Hartree
123	-	0	0.92755 Hartree
124	-	0	0.93776 Hartree
125	-	0	0.96041 Hartree
126	-	0	0.97416 Hartree
127	-	0	0.98694 Hartree
128	-	0	1.00410 Hartree
129	-	0	1.01730 Hartree
130	-	0	1.03217 Hartree
131	-	0	1.03699 Hartree
132	-	0	1.05241 Hartree
133	-	0	1.06365 Hartree
134	-	0	1.07079 Hartree
135	-	0	1.08939 Hartree
136	-	0	1.09274 Hartree
137	-	0	1.10388 Hartree
138	-	0	1.11076 Hartree
139	-	0	1.12527 Hartree
140	-	0	1.13390 Hartree
141	-	0	1.13817 Hartree
142	-	0	1.14204 Hartree
143	-	0	1.17377 Hartree
144	-	0	1.17589 Hartree
145	-	0	1.20141 Hartree
146	-	0	1.22874 Hartree
147	-	0	1.24151 Hartree
148	-	0	1.25036 Hartree
149	-	0	1.26524 Hartree
150	-	0	1.28709 Hartree
151	-	0	1.28834 Hartree
152	-	0	1.29418 Hartree
153	-	0	1.30297 Hartree
154	-	0	1.31667 Hartree
155	-	0	1.33425 Hartree
156	-	0	1.34796 Hartree
157	-	0	1.35491 Hartree
158	-	0	1.35937 Hartree
159	-	0	1.36671 Hartree
160	-	0	1.37825 Hartree
161	-	0	1.38187 Hartree
162	-	0	1.39802 Hartree
163	-	0	1.40992 Hartree
164	-	0	1.41842 Hartree
165	-	0	1.43406 Hartree
166	-	0	1.46076 Hartree
167	-	0	1.46970 Hartree
168	-	0	1.51806 Hartree
169	-	0	1.52310 Hartree
170	-	0	1.52612 Hartree
171	-	0	1.53937 Hartree
172	-	0	1.55972 Hartree
173	-	0	1.56660 Hartree
174	-	0	1.57825 Hartree
175	-	0	1.60724 Hartree
176	-	0	1.65795 Hartree
177	-	0	1.66711 Hartree
178	-	0	1.68671 Hartree
179	-	0	1.71092 Hartree
180	-	0	1.72481 Hartree
181	-	0	1.74027 Hartree
182	-	0	1.75282 Hartree
183	-	0	1.77811 Hartree
184	-	0	1.78368 Hartree
185	-	0	1.80711 Hartree
186	-	0	1.81655 Hartree
187	-	0	1.92326 Hartree
188	-	0	1.94609 Hartree
189	-	0	1.98380 Hartree
190	-	0	2.00753 Hartree
191	-	0	2.04220 Hartree
192	-	0	2.06045 Hartree
193	-	0	2.08001 Hartree
194	-	0	2.08912 Hartree
195	-	0	2.09293 Hartree
196	-	0	2.11784 Hartree
197	-	0	2.16228 Hartree
198	-	0	2.16603 Hartree
199	-	0	2.18229 Hartree
200	-	0	2.22344 Hartree
201	-	0	2.22831 Hartree
202	-	0	2.25236 Hartree
203	-	0	2.26443 Hartree
204	-	0	2.27034 Hartree
205	-	0	2.28579 Hartree
206	-	0	2.31033 Hartree
207	-	0	2.33567 Hartree
208	-	0	2.35561 Hartree
209	-	0	2.36677 Hartree
210	-	0	2.40117 Hartree
211	-	0	2.43318 Hartree
212	-	0	2.44547 Hartree
213	-	0	2.45644 Hartree
214	-	0	2.45916 Hartree
215	-	0	2.48613 Hartree
216	-	0	2.49763 Hartree
217	-	0	2.51792 Hartree
218	-	0	2.52207 Hartree
219	-	0	2.55090 Hartree
220	-	0	2.55852 Hartree
221	-	0	2.56409 Hartree
222	-	0	2.57709 Hartree
223	-	0	2.60201 Hartree
224	-	0	2.61039 Hartree
225	-	0	2.64560 Hartree
226	-	0	2.65654 Hartree
227	-	0	2.66643 Hartree
228	-	0	2.68174 Hartree
229	-	0	2.69869 Hartree
230	-	0	2.70928 Hartree
231	-	0	2.73239 Hartree
232	-	0	2.73677 Hartree
233	-	0	2.76369 Hartree
234	-	0	2.76673 Hartree
235	-	0	2.77172 Hartree
236	-	0	2.79766 Hartree
237	-	0	2.80518 Hartree
238	-	0	2.81654 Hartree
239	-	0	2.82502 Hartree
240	-	0	2.82723 Hartree
241	-	0	2.84690 Hartree
242	-	0	2.85995 Hartree
243	-	0	2.88619 Hartree
244	-	0	2.91306 Hartree
245	-	0	2.92575 Hartree
246	-	0	2.95105 Hartree
247	-	0	2.95524 Hartree
248	-	0	2.96475 Hartree
249	-	0	2.97801 Hartree
250	-	0	2.98516 Hartree
251	-	0	2.98879 Hartree
252	-	0	3.00311 Hartree
253	-	0	3.01029 Hartree
254	-	0	3.02204 Hartree
255	-	0	3.03354 Hartree
256	-	0	3.03564 Hartree
257	-	0	3.04688 Hartree
258	-	0	3.05723 Hartree
259	-	0	3.06937 Hartree
260	-	0	3.07618 Hartree
261	-	0	3.07967 Hartree
262	-	0	3.09360 Hartree
263	-	0	3.10200 Hartree
264	-	0	3.10316 Hartree
265	-	0	3.10632 Hartree
266	-	0	3.12145 Hartree
267	-	0	3.12572 Hartree
268	-	0	3.15119 Hartree
269	-	0	3.15548 Hartree
270	-	0	3.16420 Hartree
271	-	0	3.17631 Hartree
272	-	0	3.19192 Hartree
273	-	0	3.19982 Hartree
274	-	0	3.21878 Hartree
275	-	0	3.25571 Hartree
276	-	0	3.25740 Hartree
277	-	0	3.28043 Hartree
278	-	0	3.28285 Hartree
279	-	0	3.29675 Hartree
280	-	0	3.30331 Hartree
281	-	0	3.31109 Hartree
282	-	0	3.32081 Hartree
283	-	0	3.33322 Hartree
284	-	0	3.34652 Hartree
285	-	0	3.35426 Hartree
286	-	0	3.36116 Hartree
287	-	0	3.36986 Hartree
288	-	0	3.38514 Hartree
289	-	0	3.39634 Hartree
290	-	0	3.41261 Hartree
291	-	0	3.41433 Hartree
292	-	0	3.42112 Hartree
293	-	0	3.42483 Hartree
294	-	0	3.43226 Hartree
295	-	0	3.45505 Hartree
296	-	0	3.47046 Hartree
297	-	0	3.50348 Hartree
298	-	0	3.50867 Hartree
299	-	0	3.52877 Hartree
300	-	0	3.53142 Hartree
301	-	0	3.55480 Hartree
302	-	0	3.57448 Hartree
303	-	0	3.58191 Hartree
304	-	0	3.60561 Hartree
305	-	0	3.63210 Hartree
306	-	0	3.67047 Hartree
307	-	0	3.67274 Hartree
308	-	0	3.67724 Hartree
309	-	0	3.69017 Hartree
310	-	0	3.71256 Hartree
311	-	0	3.73111 Hartree
312	-	0	3.74107 Hartree
313	-	0	3.74697 Hartree
314	-	0	3.75235 Hartree
315	-	0	3.76794 Hartree
316	-	0	3.77200 Hartree
317	-	0	3.77598 Hartree
318	-	0	3.78626 Hartree
319	-	0	3.80121 Hartree
320	-	0	3.82375 Hartree
321	-	0	3.82551 Hartree
322	-	0	3.84000 Hartree
323	-	0	3.85001 Hartree
324	-	0	3.85582 Hartree
325	-	0	3.86405 Hartree
326	-	0	3.87865 Hartree
327	-	0	3.90248 Hartree
328	-	0	3.93858 Hartree
329	-	0	3.94155 Hartree
330	-	0	3.94526 Hartree
331	-	0	3.95609 Hartree
332	-	0	3.97772 Hartree
333	-	0	3.97906 Hartree
334	-	0	3.98339 Hartree
335	-	0	4.00337 Hartree
336	-	0	4.01717 Hartree
337	-	0	4.02524 Hartree
338	-	0	4.05361 Hartree
339	-	0	4.06063 Hartree
340	-	0	4.07970 Hartree
341	-	0	4.09327 Hartree
342	-	0	4.11041 Hartree
343	-	0	4.12955 Hartree
344	-	0	4.14190 Hartree
345	-	0	4.15498 Hartree
346	-	0	4.17494 Hartree
347	-	0	4.18707 Hartree
348	-	0	4.20906 Hartree
349	-	0	4.21781 Hartree
350	-	0	4.23412 Hartree
351	-	0	4.23675 Hartree
352	-	0	4.24207 Hartree
353	-	0	4.26520 Hartree
354	-	0	4.28141 Hartree
355	-	0	4.29935 Hartree
356	-	0	4.31491 Hartree
357	-	0	4.32274 Hartree
358	-	0	4.32716 Hartree
359	-	0	4.34377 Hartree
360	-	0	4.36346 Hartree
361	-	0	4.36887 Hartree
362	-	0	4.40478 Hartree
363	-	0	4.42167 Hartree
364	-	0	4.43669 Hartree
365	-	0	4.45397 Hartree
366	-	0	4.47274 Hartree
367	-	0	4.51811 Hartree
368	-	0	4.53499 Hartree
369	-	0	4.63172 Hartree
370	-	0	4.63797 Hartree
371	-	0	4.66017 Hartree
372	-	0	4.66607 Hartree
373	-	0	4.68592 Hartree
374	-	0	4.71915 Hartree
375	-	0	4.73219 Hartree
376	-	0	4.74573 Hartree
377	-	0	4.75004 Hartree
378	-	0	4.78627 Hartree
379	-	0	4.82817 Hartree
380	-	0	4.84884 Hartree
381	-	0	4.86379 Hartree
382	-	0	4.89124 Hartree
383	-	0	4.90876 Hartree
384	-	0	4.93838 Hartree
385	-	0	4.95263 Hartree
386	-	0	4.99411 Hartree
387	-	0	5.01061 Hartree
388	-	0	5.02046 Hartree
389	-	0	5.02885 Hartree
390	-	0	5.04840 Hartree
391	-	0	5.09862 Hartree
392	-	0	5.11471 Hartree
393	-	0	5.12988 Hartree
394	-	0	5.13654 Hartree
395	-	0	5.14673 Hartree
396	-	0	5.17099 Hartree
397	-	0	5.19454 Hartree
398	-	0	5.20338 Hartree
399	-	0	5.22077 Hartree
400	-	0	5.27583 Hartree
401	-	0	5.28177 Hartree
402	-	0	5.31440 Hartree
403	-	0	5.33895 Hartree
404	-	0	5.35318 Hartree
405	-	0	5.40003 Hartree
406	-	0	5.41999 Hartree
407	-	0	5.47979 Hartree
408	-	0	5.48719 Hartree
409	-	0	5.52623 Hartree
410	-	0	5.55107 Hartree
411	-	0	5.58161 Hartree
412	-	0	5.60534 Hartree
413	-	0	5.66562 Hartree
414	-	0	5.68482 Hartree
415	-	0	5.71722 Hartree
416	-	0	5.72519 Hartree
417	-	0	5.75709 Hartree
418	-	0	5.76268 Hartree
419	-	0	5.84389 Hartree
420	-	0	5.86641 Hartree
421	-	0	5.95321 Hartree
422	-	0	5.97118 Hartree
423	-	0	6.02784 Hartree
424	-	0	6.06898 Hartree
425	-	0	6.11936 Hartree
426	-	0	6.15364 Hartree
427	-	0	6.22590 Hartree
428	-	0	6.25515 Hartree
429	-	0	6.30374 Hartree
430	-	0	6.33446 Hartree
431	-	0	6.36919 Hartree
432	-	0	6.41274 Hartree
433	-	0	6.45637 Hartree
434	-	0	6.52864 Hartree
435	-	0	6.65330 Hartree
436	-	0	6.67901 Hartree
437	-	0	6.71313 Hartree
438	-	0	6.82421 Hartree
439	-	0	6.85317 Hartree
440	-	0	6.90993 Hartree
441	-	0	6.98844 Hartree
442	-	0	7.04583 Hartree
443	-	0	7.12289 Hartree
444	-	0	7.30120 Hartree
445	-	0	7.39929 Hartree
446	-	0	8.52754 Hartree
447	-	0	9.35561 Hartree
448	-	0	11.66170 Hartree
449	-	0	12.21020 Hartree
450	-	0	12.77090 Hartree
451	-	0	12.84195 Hartree
452	-	0	13.37528 Hartree
453	-	0	13.46488 Hartree
454	-	0	13.54557 Hartree
455	-	0	13.76840 Hartree
456	-	0	15.54035 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom	Symbol	Charge
1	C	-0.69135
2	C	0.82868
3	O	-0.53585
4	C	0.24554
5	C	-0.21266
6	C	-0.25063
7	C	0.17075
8	C	-0.24691
9	C	-0.20888
10	H	0.22680
11	H	0.20419
12	N	-0.79691
13	H	0.37042
14	H	0.37087
15	H	0.20556
16	H	0.21874
17	O	-0.58296
18	H	0.23027
19	H	0.22851
20	H	0.22581

Natural Atomic Orbitals

Display Range		- / 456
Orbital	Description	Occupancy	Energy	Actions
1	C1 Cor(1S)	1.999379347	-10.405662153 Hartree
2	C1 Val(2S)	1.133560903	-0.332162858 Hartree
3	C1 Ryd(3S)	0.000262816	1.358503156 Hartree
4	C1 Ryd(4S)	0.000008952	5.229619956 Hartree
5	C1 Val(2p)	1.112871366	-0.134678760 Hartree
6	C1 Ryd(3p)	0.000740414	0.909169536 Hartree
7	C1 Ryd(4p)	0.000098094	2.101429214 Hartree
8	C1 Val(2p)	1.217132284	-0.136266451 Hartree
9	C1 Ryd(3p)	0.000958128	0.929402304 Hartree
10	C1 Ryd(4p)	0.000026058	2.225429069 Hartree
11	C1 Val(2p)	1.222059594	-0.137277087 Hartree
12	C1 Ryd(3p)	0.000690300	0.911524303 Hartree
13	C1 Ryd(4p)	0.000039765	2.227128806 Hartree
14	C1 Ryd(4d)	0.000547734	3.274387946 Hartree
15	C1 Ryd(3d)	0.000039650	2.737741539 Hartree
16	C1 Ryd(4d)	0.000254760	3.026427487 Hartree
17	C1 Ryd(3d)	0.000044670	2.692744765 Hartree
18	C1 Ryd(4d)	0.000368659	3.082390404 Hartree
19	C1 Ryd(3d)	0.000123588	2.722191004 Hartree
20	C1 Ryd(4d)	0.000778579	3.358884280 Hartree
21	C1 Ryd(3d)	0.000068727	2.779591713 Hartree
22	C1 Ryd(4d)	0.000766851	3.319578495 Hartree
23	C1 Ryd(3d)	0.000044633	2.621534922 Hartree
24	C1 Ryd(4f)	0.000164052	4.018145426 Hartree
25	C1 Ryd(4f)	0.000035474	3.594306070 Hartree
26	C1 Ryd(4f)	0.000013295	3.601476928 Hartree
27	C1 Ryd(4f)	0.000035849	3.605353943 Hartree
28	C1 Ryd(4f)	0.000022916	3.590047228 Hartree
29	C1 Ryd(4f)	0.000059905	3.710922750 Hartree
30	C1 Ryd(4f)	0.000156228	3.839444305 Hartree
31	C2 Cor(1S)	1.999527870	-10.557050486 Hartree
32	C2 Val(2S)	0.795460116	-0.152470927 Hartree
33	C2 Ryd(4S)	0.003486294	2.006961669 Hartree
34	C2 Ryd(3S)	0.000242499	1.967681622 Hartree
35	C2 Val(2p)	0.866312577	-0.058196778 Hartree
36	C2 Ryd(3p)	0.003264445	1.576207758 Hartree
37	C2 Ryd(4p)	0.000187783	1.829245000 Hartree
38	C2 Val(2p)	0.744031026	-0.033635200 Hartree
39	C2 Ryd(3p)	0.011584701	1.112638108 Hartree
40	C2 Ryd(4p)	0.000238382	2.436009162 Hartree
41	C2 Val(2p)	0.730686341	-0.066616886 Hartree
42	C2 Ryd(3p)	0.007026624	0.980289565 Hartree
43	C2 Ryd(4p)	0.000258478	2.130559704 Hartree
44	C2 Ryd(4d)	0.001728388	3.347274185 Hartree
45	C2 Ryd(3d)	0.000206337	2.932551468 Hartree
46	C2 Ryd(4d)	0.001493901	2.895810475 Hartree
47	C2 Ryd(3d)	0.000156016	2.725650407 Hartree
48	C2 Ryd(4d)	0.000746783	4.827000551 Hartree
49	C2 Ryd(3d)	0.000393104	3.265401040 Hartree
50	C2 Ryd(4d)	0.001201305	3.574805076 Hartree
51	C2 Ryd(3d)	0.000242188	3.352624615 Hartree
52	C2 Ryd(4d)	0.001871884	3.135045697 Hartree
53	C2 Ryd(3d)	0.000224138	2.761242389 Hartree
54	C2 Ryd(4f)	0.000071593	3.521317306 Hartree
55	C2 Ryd(4f)	0.000052558	3.513003154 Hartree
56	C2 Ryd(4f)	0.000237212	3.625518753 Hartree
57	C2 Ryd(4f)	0.000165932	3.830911235 Hartree
58	C2 Ryd(4f)	0.000036394	4.064257183 Hartree
59	C2 Ryd(4f)	0.000068439	3.904502657 Hartree
60	C2 Ryd(4f)	0.000114362	3.921432718 Hartree
61	O3 Cor(1S)	1.999723084	-19.467004424 Hartree
62	O3 Val(2S)	1.601500701	-0.966609892 Hartree
63	O3 Ryd(3S)	0.001181979	1.990821582 Hartree
64	O3 Ryd(4S)	0.000071763	9.871838146 Hartree
65	O3 Val(2p)	1.388544796	-0.351921990 Hartree
66	O3 Ryd(3p)	0.001114904	1.524674703 Hartree
67	O3 Ryd(4p)	0.000116902	5.145381930 Hartree
68	O3 Val(2p)	1.768029014	-0.407703578 Hartree
69	O3 Ryd(3p)	0.003148868	1.068008869 Hartree
70	O3 Ryd(4p)	0.000123430	4.534216404 Hartree
71	O3 Val(2p)	1.763326871	-0.403497089 Hartree
72	O3 Ryd(3p)	0.002553399	0.904586943 Hartree
73	O3 Ryd(4p)	0.000075211	4.260635049 Hartree
74	O3 Ryd(3d)	0.001015752	3.219432981 Hartree
75	O3 Ryd(4d)	0.000078467	6.916836436 Hartree
76	O3 Ryd(3d)	0.000759354	2.812385913 Hartree
77	O3 Ryd(4d)	0.000053046	6.714263303 Hartree
78	O3 Ryd(3d)	0.001333283	2.675473588 Hartree
79	O3 Ryd(4d)	0.000029796	6.520002152 Hartree
80	O3 Ryd(3d)	0.000985664	3.187440147 Hartree
81	O3 Ryd(4d)	0.000068572	6.928292891 Hartree
82	O3 Ryd(3d)	0.001311043	2.740107007 Hartree
83	O3 Ryd(4d)	0.000070775	6.554010200 Hartree
84	O3 Ryd(4f)	0.000074866	5.404396279 Hartree
85	O3 Ryd(4f)	0.000089755	5.634337639 Hartree
86	O3 Ryd(4f)	0.000049145	5.322608630 Hartree
87	O3 Ryd(4f)	0.000111451	5.547670171 Hartree
88	O3 Ryd(4f)	0.000053959	5.505947544 Hartree
89	O3 Ryd(4f)	0.000123895	5.729634668 Hartree
90	O3 Ryd(4f)	0.000133734	5.724482416 Hartree
91	C4 Cor(1S)	1.998774499	-10.456966250 Hartree
92	C4 Val(2S)	0.849249502	-0.144246317 Hartree
93	C4 Ryd(3S)	0.001755689	2.201787237 Hartree
94	C4 Ryd(4S)	0.000086451	2.418851898 Hartree
95	C4 Val(2p)	0.763727218	-0.030472203 Hartree
96	C4 Ryd(3p)	0.005464969	1.510964321 Hartree
97	C4 Ryd(4p)	0.000337677	3.095420514 Hartree
98	C4 Val(2p)	1.068524776	-0.075449698 Hartree
99	C4 Ryd(3p)	0.003805795	1.562425436 Hartree
100	C4 Ryd(4p)	0.000188663	2.646032041 Hartree
101	C4 Val(2p)	1.050866128	-0.117987861 Hartree
102	C4 Ryd(3p)	0.003191806	0.765033983 Hartree
103	C4 Ryd(4p)	0.000317406	2.186164398 Hartree
104	C4 Ryd(3d)	0.001589976	2.614936375 Hartree
105	C4 Ryd(4d)	0.000792238	4.174470313 Hartree
106	C4 Ryd(3d)	0.001182057	1.296956887 Hartree
107	C4 Ryd(4d)	0.000395226	3.428412029 Hartree
108	C4 Ryd(3d)	0.000182114	1.588811578 Hartree
109	C4 Ryd(4d)	0.000380798	3.530490009 Hartree
110	C4 Ryd(3d)	0.001343949	2.309115582 Hartree
111	C4 Ryd(4d)	0.000758808	4.210715306 Hartree
112	C4 Ryd(3d)	0.000330462	2.141425253 Hartree
113	C4 Ryd(4d)	0.000309628	3.932747360 Hartree
114	C4 Ryd(4f)	0.000264077	3.476666337 Hartree
115	C4 Ryd(4f)	0.000100912	3.506283790 Hartree
116	C4 Ryd(4f)	0.000179117	3.633515740 Hartree
117	C4 Ryd(4f)	0.000080092	3.639234916 Hartree
118	C4 Ryd(4f)	0.000052182	3.692489361 Hartree
119	C4 Ryd(4f)	0.000079263	4.739239898 Hartree
120	C4 Ryd(4f)	0.000148015	4.501560065 Hartree
121	C5 Cor(1S)	1.999149172	-10.390464133 Hartree
122	C5 Val(2S)	0.970232155	-0.208662211 Hartree
123	C5 Ryd(3S)	0.001215443	2.008278404 Hartree
124	C5 Ryd(4S)	0.000149166	2.849050282 Hartree
125	C5 Val(2p)	1.074051195	-0.068699929 Hartree
126	C5 Ryd(3p)	0.003556810	1.508091684 Hartree
127	C5 Ryd(4p)	0.000237018	3.170642050 Hartree
128	C5 Val(2p)	1.147044302	-0.076466192 Hartree
129	C5 Ryd(3p)	0.003595854	1.416263620 Hartree
130	C5 Ryd(4p)	0.000069790	3.083148319 Hartree
131	C5 Val(2p)	1.005551384	-0.111821632 Hartree
132	C5 Ryd(3p)	0.001141917	0.785319356 Hartree
133	C5 Ryd(4p)	0.000159941	2.163906238 Hartree
134	C5 Ryd(3d)	0.001550916	2.409895837 Hartree
135	C5 Ryd(4d)	0.000766165	3.775209925 Hartree
136	C5 Ryd(3d)	0.000257891	1.510653117 Hartree
137	C5 Ryd(4d)	0.000251815	3.217042430 Hartree
138	C5 Ryd(3d)	0.000466843	1.477624533 Hartree
139	C5 Ryd(4d)	0.000089966	3.245649461 Hartree
140	C5 Ryd(3d)	0.001064863	2.620607642 Hartree
141	C5 Ryd(4d)	0.000433110	3.796964053 Hartree
142	C5 Ryd(3d)	0.000494561	2.288221186 Hartree
143	C5 Ryd(4d)	0.000117557	3.583979508 Hartree
144	C5 Ryd(4f)	0.000221190	3.424241927 Hartree
145	C5 Ryd(4f)	0.000180615	3.640575975 Hartree
146	C5 Ryd(4f)	0.000253157	3.492388260 Hartree
147	C5 Ryd(4f)	0.000060605	3.615538134 Hartree
148	C5 Ryd(4f)	0.000053288	3.648753741 Hartree
149	C5 Ryd(4f)	0.000122548	4.879875188 Hartree
150	C5 Ryd(4f)	0.000119645	4.550139025 Hartree
151	C6 Cor(1S)	1.999168003	-10.388970987 Hartree
152	C6 Val(2S)	0.960606516	-0.203920001 Hartree
153	C6 Ryd(3S)	0.001186129	1.952514954 Hartree
154	C6 Ryd(4S)	0.000138440	2.873861922 Hartree
155	C6 Val(2p)	1.092470998	-0.071726415 Hartree
156	C6 Ryd(3p)	0.003981879	1.508264138 Hartree
157	C6 Ryd(4p)	0.000211105	3.180214308 Hartree
158	C6 Val(2p)	1.110404874	-0.071141025 Hartree
159	C6 Ryd(3p)	0.002945922	1.399713947 Hartree
160	C6 Ryd(4p)	0.000139992	3.163791124 Hartree
161	C6 Val(2p)	1.071391004	-0.116834283 Hartree
162	C6 Ryd(3p)	0.001502946	0.771347381 Hartree
163	C6 Ryd(4p)	0.000181473	2.188942642 Hartree
164	C6 Ryd(3d)	0.001228015	2.403472163 Hartree
165	C6 Ryd(4d)	0.000852879	3.913168061 Hartree
166	C6 Ryd(3d)	0.000297251	1.300894136 Hartree
167	C6 Ryd(4d)	0.000240694	3.283507481 Hartree
168	C6 Ryd(3d)	0.000351744	1.338783720 Hartree
169	C6 Ryd(4d)	0.000142780	3.330374429 Hartree
170	C6 Ryd(3d)	0.001146603	2.593678854 Hartree
171	C6 Ryd(4d)	0.000352362	3.843858117 Hartree
172	C6 Ryd(3d)	0.000519080	2.266695750 Hartree
173	C6 Ryd(4d)	0.000139694	3.706629495 Hartree
174	C6 Ryd(4f)	0.000282368	3.417131846 Hartree
175	C6 Ryd(4f)	0.000198128	3.607485586 Hartree
176	C6 Ryd(4f)	0.000230273	3.513612259 Hartree
177	C6 Ryd(4f)	0.000042222	3.675096995 Hartree
178	C6 Ryd(4f)	0.000062791	3.625118595 Hartree
179	C6 Ryd(4f)	0.000115409	4.904181035 Hartree
180	C6 Ryd(4f)	0.000096418	4.540514636 Hartree
181	C7 Cor(1S)	1.999106828	-10.438113670 Hartree
182	C7 Val(2S)	0.865248282	-0.155234808 Hartree
183	C7 Ryd(3S)	0.001769892	2.031279742 Hartree
184	C7 Ryd(4S)	0.000092857	2.267143994 Hartree
185	C7 Val(2p)	0.903007369	-0.047320450 Hartree
186	C7 Ryd(3p)	0.004202822	1.397526263 Hartree
187	C7 Ryd(4p)	0.000149842	3.212859650 Hartree
188	C7 Val(2p)	1.069886579	-0.074729140 Hartree
189	C7 Ryd(3p)	0.002934414	1.527634746 Hartree
190	C7 Ryd(4p)	0.000149571	2.514227818 Hartree
191	C7 Val(2p)	0.973197336	-0.107179916 Hartree
192	C7 Ryd(3p)	0.001669471	0.770833825 Hartree
193	C7 Ryd(4p)	0.000144937	2.163091322 Hartree
194	C7 Ryd(3d)	0.001883045	2.530470231 Hartree
195	C7 Ryd(4d)	0.000732512	4.191240867 Hartree
196	C7 Ryd(3d)	0.000619570	1.446701118 Hartree
197	C7 Ryd(4d)	0.000762918	3.360847018 Hartree
198	C7 Ryd(3d)	0.000211366	1.567666046 Hartree
199	C7 Ryd(4d)	0.000327137	3.443564495 Hartree
200	C7 Ryd(3d)	0.001661390	2.306295598 Hartree
201	C7 Ryd(4d)	0.000418349	3.981701725 Hartree
202	C7 Ryd(3d)	0.000210182	2.117099897 Hartree
203	C7 Ryd(4d)	0.000230929	4.168213275 Hartree
204	C7 Ryd(4f)	0.000178789	3.532516265 Hartree
205	C7 Ryd(4f)	0.000089462	3.609980195 Hartree
206	C7 Ryd(4f)	0.000163582	3.610609479 Hartree
207	C7 Ryd(4f)	0.000039908	3.704295981 Hartree
208	C7 Ryd(4f)	0.000038914	3.721559895 Hartree
209	C7 Ryd(4f)	0.000055254	4.901017570 Hartree
210	C7 Ryd(4f)	0.000063081	4.539998483 Hartree
211	C8 Cor(1S)	1.999170802	-10.388497955 Hartree
212	C8 Val(2S)	0.960487235	-0.203290838 Hartree
213	C8 Ryd(3S)	0.001285327	1.968284152 Hartree
214	C8 Ryd(4S)	0.000167943	2.871898105 Hartree
215	C8 Val(2p)	1.070826182	-0.069761911 Hartree
216	C8 Ryd(3p)	0.003506060	1.578461730 Hartree
217	C8 Ryd(4p)	0.000175630	3.059622966 Hartree
218	C8 Val(2p)	1.138413121	-0.072304739 Hartree
219	C8 Ryd(3p)	0.003216296	1.516301732 Hartree
220	C8 Ryd(4p)	0.000270577	2.573047636 Hartree
221	C8 Val(2p)	1.061175533	-0.115092433 Hartree
222	C8 Ryd(3p)	0.001473934	0.815613544 Hartree
223	C8 Ryd(4p)	0.000367021	2.151874227 Hartree
224	C8 Ryd(3d)	0.001563404	2.402610830 Hartree
225	C8 Ryd(4d)	0.000707468	3.813471851 Hartree
226	C8 Ryd(3d)	0.000245839	1.517163003 Hartree
227	C8 Ryd(4d)	0.000245523	3.248219056 Hartree
228	C8 Ryd(3d)	0.000562728	1.443500107 Hartree
229	C8 Ryd(4d)	0.000103640	3.264784897 Hartree
230	C8 Ryd(3d)	0.000964325	2.638655389 Hartree
231	C8 Ryd(4d)	0.000417806	3.828803385 Hartree
232	C8 Ryd(3d)	0.000526168	2.329261466 Hartree
233	C8 Ryd(4d)	0.000123935	3.621459918 Hartree
234	C8 Ryd(4f)	0.000240446	3.435213559 Hartree
235	C8 Ryd(4f)	0.000172271	3.646472867 Hartree
236	C8 Ryd(4f)	0.000170379	3.510278616 Hartree
237	C8 Ryd(4f)	0.000050686	3.628345213 Hartree
238	C8 Ryd(4f)	0.000052240	3.660183679 Hartree
239	C8 Ryd(4f)	0.000118895	4.873317493 Hartree
240	C8 Ryd(4f)	0.000106896	4.584782763 Hartree
241	C9 Cor(1S)	1.999136687	-10.389883259 Hartree
242	C9 Val(2S)	0.971212303	-0.207150745 Hartree
243	C9 Ryd(3S)	0.001352582	1.900804696 Hartree
244	C9 Ryd(4S)	0.000183708	3.054042022 Hartree
245	C9 Val(2p)	1.097775863	-0.068496745 Hartree
246	C9 Ryd(3p)	0.003111858	1.593613947 Hartree
247	C9 Ryd(4p)	0.000196802	3.053989992 Hartree
248	C9 Val(2p)	1.121017007	-0.071202219 Hartree
249	C9 Ryd(3p)	0.003288819	1.401896247 Hartree
250	C9 Ryd(4p)	0.000123442	3.181801076 Hartree
251	C9 Val(2p)	1.003682559	-0.109168052 Hartree
252	C9 Ryd(3p)	0.001267899	0.787167626 Hartree
253	C9 Ryd(4p)	0.000117280	2.249805507 Hartree
254	C9 Ryd(3d)	0.001058789	2.539707114 Hartree
255	C9 Ryd(4d)	0.000863100	3.665555256 Hartree
256	C9 Ryd(3d)	0.000375991	1.573158002 Hartree
257	C9 Ryd(4d)	0.000212897	3.043364487 Hartree
258	C9 Ryd(3d)	0.000473582	1.614324616 Hartree
259	C9 Ryd(4d)	0.000112416	3.072048657 Hartree
260	C9 Ryd(3d)	0.001391965	3.050016470 Hartree
261	C9 Ryd(4d)	0.000239611	3.616715717 Hartree
262	C9 Ryd(3d)	0.000583134	2.572433663 Hartree
263	C9 Ryd(4d)	0.000084386	3.358787810 Hartree
264	C9 Ryd(4f)	0.000273019	3.416906728 Hartree
265	C9 Ryd(4f)	0.000180530	3.644464797 Hartree
266	C9 Ryd(4f)	0.000229449	3.504501497 Hartree
267	C9 Ryd(4f)	0.000041686	3.696478500 Hartree
268	C9 Ryd(4f)	0.000077727	3.614287845 Hartree
269	C9 Ryd(4f)	0.000138215	4.874993135 Hartree
270	C9 Ryd(4f)	0.000074488	4.563069451 Hartree
271	H10 Val(1S)	0.771331947	0.068083415 Hartree
272	H10 Ryd(2S)	0.000737298	1.153037153 Hartree
273	H10 Ryd(3S)	0.000155091	1.864594685 Hartree
274	H10 Ryd(3p)	0.000146552	4.212399931 Hartree
275	H10 Ryd(2p)	0.000074770	3.275802886 Hartree
276	H10 Ryd(3p)	0.000241163	4.292417560 Hartree
277	H10 Ryd(2p)	0.000068527	3.746173823 Hartree
278	H10 Ryd(3p)	0.000044456	3.921457420 Hartree
279	H10 Ryd(2p)	0.000104046	1.777271765 Hartree
280	H10 Ryd(3d)	0.000073371	4.170900586 Hartree
281	H10 Ryd(3d)	0.000030529	3.771276483 Hartree
282	H10 Ryd(3d)	0.000053099	3.942114186 Hartree
283	H10 Ryd(3d)	0.000074275	4.170336043 Hartree
284	H10 Ryd(3d)	0.000060597	4.003337909 Hartree
285	H11 Val(1S)	0.793404572	0.047326446 Hartree
286	H11 Ryd(2S)	0.001371681	0.657361682 Hartree
287	H11 Ryd(3S)	0.000208446	2.287044973 Hartree
288	H11 Ryd(3p)	0.000066723	3.679649315 Hartree
289	H11 Ryd(2p)	0.000065448	3.320744271 Hartree
290	H11 Ryd(3p)	0.000178115	4.757975806 Hartree
291	H11 Ryd(2p)	0.000106233	3.544722556 Hartree
292	H11 Ryd(2p)	0.000126031	2.728627665 Hartree
293	H11 Ryd(3p)	0.000028104	2.801307584 Hartree
294	H11 Ryd(3d)	0.000050905	4.202451817 Hartree
295	H11 Ryd(3d)	0.000021706	3.611750958 Hartree
296	H11 Ryd(3d)	0.000063345	4.009690471 Hartree
297	H11 Ryd(3d)	0.000050886	4.181461981 Hartree
298	H11 Ryd(3d)	0.000069230	4.003798326 Hartree
299	N12 Cor(1S)	1.999545726	-14.575645429 Hartree
300	N12 Val(2S)	1.348249888	-0.617379838 Hartree
301	N12 Ryd(3S)	0.000261542	1.716681823 Hartree
302	N12 Ryd(4S)	0.000025411	8.728843912 Hartree
303	N12 Val(2p)	1.276199104	-0.234118643 Hartree
304	N12 Ryd(3p)	0.001093474	0.709936014 Hartree
305	N12 Ryd(4p)	0.000138293	4.745674600 Hartree
306	N12 Val(2p)	1.386242381	-0.236940918 Hartree
307	N12 Ryd(3p)	0.002084487	0.926238507 Hartree
308	N12 Ryd(4p)	0.000055000	4.182565557 Hartree
309	N12 Val(2p)	1.764639973	-0.297931565 Hartree
310	N12 Ryd(3p)	0.004720282	0.651366639 Hartree
311	N12 Ryd(4p)	0.000062351	3.512371601 Hartree
312	N12 Ryd(3d)	0.001054896	1.767886790 Hartree
313	N12 Ryd(4d)	0.000151552	5.200074146 Hartree
314	N12 Ryd(3d)	0.001823121	1.462302705 Hartree
315	N12 Ryd(4d)	0.000039363	4.745958851 Hartree
316	N12 Ryd(3d)	0.003667246	1.481134160 Hartree
317	N12 Ryd(4d)	0.000030639	4.931765280 Hartree
318	N12 Ryd(3d)	0.002379782	1.751401810 Hartree
319	N12 Ryd(4d)	0.000034625	5.033247539 Hartree
320	N12 Ryd(3d)	0.003498313	1.547063394 Hartree
321	N12 Ryd(4d)	0.000079690	4.869989378 Hartree
322	N12 Ryd(4f)	0.000278147	4.558218997 Hartree
323	N12 Ryd(4f)	0.000157395	4.707249396 Hartree
324	N12 Ryd(4f)	0.000175069	4.635681780 Hartree
325	N12 Ryd(4f)	0.000029515	4.839015606 Hartree
326	N12 Ryd(4f)	0.000023243	4.901792615 Hartree
327	N12 Ryd(4f)	0.000124008	5.273166678 Hartree
328	N12 Ryd(4f)	0.000043812	5.140540842 Hartree
329	H13 Val(1S)	0.627171196	0.103560870 Hartree
330	H13 Ryd(2S)	0.000706080	0.990644081 Hartree
331	H13 Ryd(3S)	0.000338932	1.753402632 Hartree
332	H13 Ryd(2p)	0.000156640	2.705939119 Hartree
333	H13 Ryd(3p)	0.000158524	3.917497358 Hartree
334	H13 Ryd(2p)	0.000057930	3.859646202 Hartree
335	H13 Ryd(3p)	0.000236192	3.885082863 Hartree
336	H13 Ryd(2p)	0.000514515	1.987352994 Hartree
337	H13 Ryd(3p)	0.000025514	3.657640756 Hartree
338	H13 Ryd(3d)	0.000042018	4.296614699 Hartree
339	H13 Ryd(3d)	0.000042871	3.721933274 Hartree
340	H13 Ryd(3d)	0.000055888	3.938612641 Hartree
341	H13 Ryd(3d)	0.000050010	4.198300557 Hartree
342	H13 Ryd(3d)	0.000024272	3.759214311 Hartree
343	H14 Val(1S)	0.626833648	0.103960637 Hartree
344	H14 Ryd(2S)	0.000585793	1.310927584 Hartree
345	H14 Ryd(3S)	0.000347124	1.427584526 Hartree
346	H14 Ryd(2p)	0.000177593	2.344629135 Hartree
347	H14 Ryd(3p)	0.000097131	3.864664099 Hartree
348	H14 Ryd(2p)	0.000064075	3.632386701 Hartree
349	H14 Ryd(3p)	0.000197177	3.906477150 Hartree
350	H14 Ryd(2p)	0.000504053	2.538551073 Hartree
351	H14 Ryd(3p)	0.000113022	3.731343773 Hartree
352	H14 Ryd(3d)	0.000037861	4.041236908 Hartree
353	H14 Ryd(3d)	0.000025375	3.817468710 Hartree
354	H14 Ryd(3d)	0.000065170	4.127757065 Hartree
355	H14 Ryd(3d)	0.000054505	4.049656891 Hartree
356	H14 Ryd(3d)	0.000028707	3.873224585 Hartree
357	H15 Val(1S)	0.792341482	0.048123985 Hartree
358	H15 Ryd(2S)	0.000874070	1.139145408 Hartree
359	H15 Ryd(3S)	0.000187305	1.890945695 Hartree
360	H15 Ryd(3p)	0.000147647	4.285207079 Hartree
361	H15 Ryd(2p)	0.000081421	3.131759358 Hartree
362	H15 Ryd(3p)	0.000220958	4.432321203 Hartree
363	H15 Ryd(2p)	0.000104101	3.435491657 Hartree
364	H15 Ryd(3p)	0.000056392	3.875985516 Hartree
365	H15 Ryd(2p)	0.000114672	1.764529247 Hartree
366	H15 Ryd(3d)	0.000085260	4.149740224 Hartree
367	H15 Ryd(3d)	0.000032897	3.752279048 Hartree
368	H15 Ryd(3d)	0.000054824	3.932175118 Hartree
369	H15 Ryd(3d)	0.000057961	4.146344847 Hartree
370	H15 Ryd(3d)	0.000078057	4.000019495 Hartree
371	H16 Val(1S)	0.779279241	0.056317030 Hartree
372	H16 Ryd(2S)	0.000792050	1.074670282 Hartree
373	H16 Ryd(3S)	0.000183859	1.911663909 Hartree
374	H16 Ryd(3p)	0.000077283	4.083541101 Hartree
375	H16 Ryd(2p)	0.000084341	2.878271842 Hartree
376	H16 Ryd(3p)	0.000330462	4.297160958 Hartree
377	H16 Ryd(2p)	0.000078550	4.040067469 Hartree
378	H16 Ryd(3p)	0.000017743	3.859930334 Hartree
379	H16 Ryd(2p)	0.000102843	1.671630289 Hartree
380	H16 Ryd(3d)	0.000077456	4.200505730 Hartree
381	H16 Ryd(3d)	0.000023694	3.622684839 Hartree
382	H16 Ryd(3d)	0.000060204	4.002370423 Hartree
383	H16 Ryd(3d)	0.000079546	4.177291280 Hartree
384	H16 Ryd(3d)	0.000074480	3.984957438 Hartree
385	O17 Cor(1S)	1.999764436	-19.321151356 Hartree
386	O17 Val(2S)	1.695719363	-1.001624735 Hartree
387	O17 Ryd(3S)	0.000270903	2.456316382 Hartree
388	O17 Ryd(4S)	0.000054971	8.837240370 Hartree
389	O17 Val(2p)	1.832742423	-0.337375400 Hartree
390	O17 Ryd(3p)	0.001884722	1.100872521 Hartree
391	O17 Ryd(4p)	0.000024760	4.259098675 Hartree
392	O17 Val(2p)	1.531399370	-0.329349442 Hartree
393	O17 Ryd(3p)	0.001095385	1.093059060 Hartree
394	O17 Ryd(4p)	0.000120493	4.807957108 Hartree
395	O17 Val(2p)	1.493858546	-0.311173075 Hartree
396	O17 Ryd(3p)	0.000999250	0.994335021 Hartree
397	O17 Ryd(4p)	0.000077612	4.453691371 Hartree
398	O17 Ryd(3d)	0.004007838	1.811368097 Hartree
399	O17 Ryd(4d)	0.000053902	6.448008695 Hartree
400	O17 Ryd(3d)	0.002601613	1.712913360 Hartree
401	O17 Ryd(4d)	0.000036684	6.373200727 Hartree
402	O17 Ryd(3d)	0.007370220	2.073288637 Hartree
403	O17 Ryd(4d)	0.000040544	6.648722765 Hartree
404	O17 Ryd(3d)	0.004888903	1.826793693 Hartree
405	O17 Ryd(4d)	0.000043224	6.453613471 Hartree
406	O17 Ryd(3d)	0.004833083	1.651736855 Hartree
407	O17 Ryd(4d)	0.000045426	6.362834379 Hartree
408	O17 Ryd(4f)	0.000089160	5.494399110 Hartree
409	O17 Ryd(4f)	0.000047907	5.362984328 Hartree
410	O17 Ryd(4f)	0.000221475	5.684691624 Hartree
411	O17 Ryd(4f)	0.000197819	5.609348650 Hartree
412	O17 Ryd(4f)	0.000166994	5.615462917 Hartree
413	O17 Ryd(4f)	0.000156626	5.541447570 Hartree
414	O17 Ryd(4f)	0.000148304	5.542287247 Hartree
415	H18 Val(1S)	0.767965471	0.023734780 Hartree
416	H18 Ryd(2S)	0.000484930	0.586818641 Hartree
417	H18 Ryd(3S)	0.000115309	1.903689331 Hartree
418	H18 Ryd(3p)	0.000022315	3.908719912 Hartree
419	H18 Ryd(2p)	0.000172684	1.563849869 Hartree
420	H18 Ryd(3p)	0.000445714	4.164927766 Hartree
421	H18 Ryd(2p)	0.000031909	3.900897822 Hartree
422	H18 Ryd(3p)	0.000075228	3.940943365 Hartree
423	H18 Ryd(2p)	0.000072399	1.977033961 Hartree
424	H18 Ryd(3d)	0.000056349	3.927790811 Hartree
425	H18 Ryd(3d)	0.000056943	3.500520501 Hartree
426	H18 Ryd(3d)	0.000104671	4.024421321 Hartree
427	H18 Ryd(3d)	0.000097529	3.961738024 Hartree
428	H18 Ryd(3d)	0.000028604	3.730138709 Hartree
429	H19 Val(1S)	0.769658201	0.025549714 Hartree
430	H19 Ryd(2S)	0.000565036	0.527400526 Hartree
431	H19 Ryd(3S)	0.000115860	1.968068561 Hartree
432	H19 Ryd(3p)	0.000026012	3.915245560 Hartree
433	H19 Ryd(2p)	0.000154836	1.541817969 Hartree
434	H19 Ryd(3p)	0.000019033	3.912371053 Hartree
435	H19 Ryd(2p)	0.000079772	1.573585741 Hartree
436	H19 Ryd(2p)	0.000512062	4.229045354 Hartree
437	H19 Ryd(3p)	0.000020198	4.262532551 Hartree
438	H19 Ryd(3d)	0.000018063	3.427231943 Hartree
439	H19 Ryd(3d)	0.000095394	4.002798425 Hartree
440	H19 Ryd(3d)	0.000088268	4.004402792 Hartree
441	H19 Ryd(3d)	0.000018069	3.434331286 Hartree
442	H19 Ryd(3d)	0.000121277	4.287290299 Hartree
443	H20 Val(1S)	0.772242803	0.036888644 Hartree
444	H20 Ryd(2S)	0.000656742	0.565949230 Hartree
445	H20 Ryd(3S)	0.000127143	1.931309119 Hartree
446	H20 Ryd(3p)	0.000282329	4.046697473 Hartree
447	H20 Ryd(2p)	0.000108220	2.857221373 Hartree
448	H20 Ryd(3p)	0.000208394	3.980734286 Hartree
449	H20 Ryd(2p)	0.000069143	2.680419264 Hartree
450	H20 Ryd(3p)	0.000095263	3.916403159 Hartree
451	H20 Ryd(2p)	0.000032057	1.965773146 Hartree
452	H20 Ryd(3d)	0.000109120	3.975136218 Hartree
453	H20 Ryd(3d)	0.000093537	3.791666486 Hartree
454	H20 Ryd(3d)	0.000059804	3.758202501 Hartree
455	H20 Ryd(3d)	0.000062825	3.944349955 Hartree
456	H20 Ryd(3d)	0.000038643	3.726885064 Hartree

Natural Hybrid Orbitals

Display Range		- / 456
Orbital	Description	Occupancy	Energy	Actions
1	BD(1)C1(C2) 1s(26.91%)p2.71(73.01%)d0.00(0.07%)	1.048163846	-0.169995345 Hartree
2	BD(1)C2(C1)	0.993041448	-0.150793363 Hartree
3	BD(1)C1(H18) 1s(23.90%)p3.18(76.04%)d0.00(0.05%)	1.210409548	-0.185254273 Hartree
4	BD(1)H18(C1)	0.768590131	0.024329578 Hartree
5	BD(1)C1(H19) 1s(24.20%)p3.13(75.74%)d0.00(0.05%)	1.212001727	-0.184901382 Hartree
6	BD(1)H19(C1)	0.770286799	0.026278633 Hartree
7	BD(1)C1(H20) 1s(24.95%)p3.01(75.00%)d0.00(0.04%)	1.218193209	-0.182066960 Hartree
8	BD(1)H20(C1)	0.772896331	0.037583800 Hartree
9	BD(1)C2(O3) 2s(27.84%)p2.59(72.03%)d0.00(0.13%)	0.701237807	-0.042151641 Hartree
10	BD(1)O3(C2)	1.398401232	-0.536215824 Hartree
11	BD(1)C2(O17) 2s(35.17%)p1.84(64.78%)d0.00(0.04%)	0.713547021	0.029791642 Hartree
12	BD(1)O17(C2)	1.304585419	-0.542972387 Hartree
13	BD(2)C2(O17) 2s(0.00%)p1.00(99.79%)d0.00(0.20%)	0.732874105	-0.113706487 Hartree
14	BD(2)O17(C2)	1.446841180	-0.291247057 Hartree
15	BD(1)O3(C4) 3s(32.67%)p2.06(67.24%)d0.00(0.07%)	1.362952834	-0.532698636 Hartree
16	BD(1)C4(O3)	0.664259534	-0.047988702 Hartree
17	BD(1)C4(C5) 4s(37.30%)p1.68(62.65%)d0.00(0.04%)	1.005092679	-0.085944283 Hartree
18	BD(1)C5(C4)	0.997088145	-0.084425129 Hartree
19	BD(2)C4(C5) 4s(0.01%)p1.00(99.95%)d0.00(0.02%)	1.058554843	-0.125153983 Hartree
20	BD(2)C5(C4)	1.003945059	-0.115228932 Hartree
21	BD(1)C4(C9) 4s(37.99%)p1.63(61.97%)d0.00(0.03%)	1.008777602	-0.089273670 Hartree
22	BD(1)C9(C4)	1.000017330	-0.083401944 Hartree
23	BD(1)C5(C6) 5s(36.36%)p1.75(63.55%)d0.00(0.08%)	0.994964919	-0.083972306 Hartree
24	BD(1)C6(C5)	0.991317340	-0.082888388 Hartree
25	BD(1)C5(H16) 5s(28.26%)p2.54(71.69%)d0.00(0.03%)	1.206681481	-0.153218543 Hartree
26	BD(1)H16(C5)	0.779741352	0.058742499 Hartree
27	BD(1)C6(C7) 6s(35.55%)p1.81(64.34%)d0.00(0.09%)	0.986662303	-0.081985620 Hartree
28	BD(1)C7(C6)	1.012964948	-0.092726465 Hartree
29	BD(2)C6(C7) 6s(0.00%)p1.00(99.95%)d0.00(0.03%)	1.066401144	-0.121131302 Hartree
30	BD(2)C7(C6)	0.970146210	-0.112075305 Hartree
31	BD(1)C6(H15) 6s(28.05%)p2.56(71.90%)d0.00(0.03%)	1.196299760	-0.149928870 Hartree
32	BD(1)H15(C6)	0.792788119	0.050734446 Hartree
33	BD(1)C7(C8) 7s(35.43%)p1.82(64.52%)d0.00(0.04%)	1.013618685	-0.093073888 Hartree
34	BD(1)C8(C7)	0.985965507	-0.081287005 Hartree
35	BD(1)C7(N12) 7s(29.07%)p2.44(70.89%)d0.00(0.04%)	0.818358281	-0.073828990 Hartree
36	BD(1)N12(C7)	1.190141990	-0.330755278 Hartree
37	BD(1)C8(C9) 8s(36.60%)p1.73(63.31%)d0.00(0.07%)	0.992206381	-0.082478563 Hartree
38	BD(1)C9(C8)	0.993762040	-0.081333526 Hartree
39	BD(2)C8(C9) 8s(0.00%)p1.00(99.94%)d0.00(0.03%)	1.060993305	-0.119232629 Hartree
40	BD(2)C9(C8)	0.991413876	-0.111062113 Hartree
41	BD(1)C8(H11) 8s(27.85%)p2.59(72.09%)d0.00(0.05%)	1.197751107	-0.149954145 Hartree
42	BD(1)H11(C8)	0.793670967	0.050411188 Hartree
43	BD(1)C9(H10) 9s(28.62%)p2.49(71.32%)d0.00(0.03%)	1.214235188	-0.151561902 Hartree
44	BD(1)H10(C9)	0.771794288	0.070695389 Hartree
45	BD(1)N12(H13) 12s(25.56%)p2.90(74.20%)d0.01(0.23%)	1.366300028	-0.339899549 Hartree
46	BD(1)H13(N12)	0.627558138	0.106279687 Hartree
47	BD(1)N12(H14) 12s(25.56%)p2.90(74.19%)d0.01(0.23%)	1.366690486	-0.339928387 Hartree
48	BD(1)H14(N12)	0.627218901	0.106616336 Hartree
49	CR(1)C1 s(100.00%)p0.00(0.00%)	1.999373963	-10.405902538 Hartree
50	CR(1)C2 s(100.00%)p0.00(0.00%)	1.999523513	-10.557308797 Hartree
51	CR(1)O3 s(100.00%)p0.00(0.00%)	1.999722792	-19.467839662 Hartree
52	CR(1)C4 s(100.00%)p0.00(0.00%)	1.998778852	-10.457295100 Hartree
53	CR(1)C5 s(100.00%)p0.00(0.00%)	1.999151102	-10.390839399 Hartree
54	CR(1)C6 s(100.00%)p0.00(0.00%)	1.999169943	-10.389298037 Hartree
55	CR(1)C7 s(100.00%)	1.999108832	-10.438305927 Hartree
56	CR(1)C8 s(100.00%)p0.00(0.00%)	1.999172708	-10.388826017 Hartree
57	CR(1)C9 s(100.00%)p0.00(0.00%)	1.999138080	-10.390376997 Hartree
58	CR(1)N12 s(100.00%)p0.00(0.00%)	1.999542901	-14.575896440 Hartree
59	CR(1)O17 s(100.00%)p0.00(0.00%)	1.999762657	-19.322644110 Hartree
60	LP(1)O3 s(36.24%)p1.76(63.71%)d0.00(0.05%)	1.953715460	-0.650572307 Hartree
61	LP(2)O3 s(0.33%)p99.99(99.56%)d0.27(0.09%)	1.812519281	-0.405245435 Hartree
62	LP(1)N12 s(12.16%)p7.21(87.68%)d0.01(0.15%)	1.869165902	-0.365824971 Hartree
63	LP(1)O17 s(58.37%)p0.71(41.52%)d0.00(0.11%)	1.976792665	-0.810024059 Hartree
64	LP(2)O17 s(0.00%)p1.00(99.67%)d0.00(0.31%)	1.851001708	-0.341087685 Hartree
65	RY*(1)C1 s(0.33%)p99.99(94.81%)d14.14(4.60%)	0.001565307	1.022483881 Hartree
66	RY*(2)C1 s(26.11%)p2.00(52.24%)d0.72(18.86%)	0.000710626	1.998813999 Hartree
67	RY*(3)C1 s(0.00%)p1.00(74.22%)d0.19(14.34%)	0.000414476	1.308245722 Hartree
68	RY*(4)C1 s(13.64%)p1.55(21.16%)d3.88(52.97%)	0.000191195	2.559379139 Hartree
69	RY*(5)C1 s(4.18%)p6.00(25.11%)d15.26(63.79%)	0.000117160	2.469678300 Hartree
70	RY*(6)C1 s(0.12%)p96.58(11.71%)d99.99(57.03%)	0.000117365	2.636408855 Hartree
71	RY*(7)C1 s(1.31%)p42.69(55.72%)d26.03(33.97%)	0.000027228	2.346320386 Hartree
72	RY*(8)C1 s(17.16%)p0.56(9.68%)d2.66(45.60%)	0.000023775	2.938910244 Hartree
73	RY*(9)C1 s(17.14%)p0.58(10.02%)d4.17(71.46%)	0.000001997	2.927531392 Hartree
74	RY*(10)C1 s(5.07%)p1.77(8.98%)d14.16(71.84%)	0.000008603	2.308240650 Hartree
75	RY*(11)C1 s(1.85%)p7.99(14.79%)d43.28(80.10%)	0.000004143	2.761278034 Hartree
76	RY*(12)C1 s(0.40%)p99.99(78.61%)d29.41(11.62%)	0.000004231	2.482124076 Hartree
77	RY*(13)C1 s(6.16%)p0.82(5.08%)d13.49(83.13%)	0.000003608	3.008160705 Hartree
78	RY*(14)C1 s(0.02%)p64.19(1.23%)d99.99(97.95%)	0.000001543	3.047238002 Hartree
79	RY*(15)C1 s(97.43%)p0.02(1.80%)d0.01(0.68%)	0.000000862	5.109122697 Hartree
80	RY*(16)C1 s(0.23%)p68.58(15.57%)d99.99(81.77%)	0.000000681	3.005360952 Hartree
81	RY*(17)C1 s(1.64%)p47.56(77.83%)d10.85(17.75%)	0.000003615	2.115332912 Hartree
82	RY*(18)C1 s(0.95%)p15.39(14.69%)d83.74(79.90%)	0.000002332	2.695073667 Hartree
83	RY*(19)C1 s(0.20%)p10.02(2.04%)d50.94(10.35%)	0.000002351	4.017674716 Hartree
84	RY*(20)C1 s(0.12%)p56.86(7.05%)d60.48(7.49%)	0.000001298	3.424880599 Hartree
85	RY*(21)C1 s(0.16%)p10.83(1.72%)d10.94(1.73%)	0.000000309	3.550060055 Hartree
86	RY*(22)C1 s(1.48%)p2.53(3.75%)d10.34(15.33%)	0.000000874	3.370252511 Hartree
87	RY*(23)C1 s(2.13%)p1.43(3.06%)d3.58(7.63%)	0.000001944	3.450240487 Hartree
88	RY*(24)C1 s(0.88%)p5.98(5.27%)d19.98(17.60%)	0.000004075	3.288443733 Hartree
89	RY*(25)C1 s(1.31%)p3.12(4.10%)d39.84(52.29%)	0.000001698	3.608193025 Hartree
90	RY*(1)C2 s(8.83%)p10.26(90.65%)d0.05(0.46%)	0.017029646	1.201019306 Hartree
91	RY*(2)C2 s(12.72%)p4.62(58.83%)d2.19(27.91%)	0.004840003	2.092696779 Hartree
92	RY*(3)C2 s(0.10%)p21.95(2.16%)d99.99(91.90%)	0.003787222	2.297615336 Hartree
93	RY*(4)C2 s(17.35%)p0.69(11.95%)d3.80(65.87%)	0.002488358	4.017744131 Hartree
94	RY*(5)C2 s(0.66%)p99.99(78.81%)d27.99(18.53%)	0.001205168	1.277405642 Hartree
95	RY*(6)C2 s(2.40%)p5.46(13.12%)d33.02(79.31%)	0.000593691	3.060443958 Hartree
96	RY*(7)C2 s(44.34%)p0.58(25.58%)d0.61(26.86%)	0.000405102	3.295062900 Hartree
97	RY*(8)C2 s(0.65%)p24.29(15.90%)d99.99(73.65%)	0.000405251	2.380375231 Hartree
98	RY*(9)C2 s(49.79%)p0.17(8.71%)d0.70(35.03%)	0.000158999	1.765531540 Hartree
99	RY*(10)C2 s(6.77%)p7.93(53.75%)d5.32(36.02%)	0.000070771	2.244262031 Hartree
100	RY*(11)C2 s(0.96%)p11.35(10.93%)d84.33(81.25%)	0.000052162	3.042728840 Hartree
101	RY*(12)C2 s(0.83%)p76.53(63.31%)d34.95(28.91%)	0.000014779	2.607888745 Hartree
102	RY*(13)C2 s(15.89%)p2.29(36.39%)d2.97(47.23%)	0.000005764	2.663104499 Hartree
103	RY*(14)C2 s(12.76%)p0.44(5.60%)d6.39(81.49%)	0.000004063	2.948396623 Hartree
104	RY*(15)C2 s(0.48%)p23.38(11.18%)d99.99(88.16%)	0.000003635	3.065825642 Hartree
105	RY*(16)C2 s(16.98%)p0.10(1.69%)d4.79(81.26%)	0.000003809	2.635033133 Hartree
106	RY*(17)C2 s(1.42%)p60.42(85.84%)d3.29(4.68%)	0.000012161	2.199138294 Hartree
107	RY*(18)C2 s(1.15%)p8.14(9.35%)d77.07(88.48%)	0.000002372	2.865649081 Hartree
108	RY*(19)C2 s(0.04%)p11.17(0.48%)d99.99(7.48%)	0.000001218	3.666944840 Hartree
109	RY*(20)C2 s(0.38%)p13.64(5.22%)d9.60(3.67%)	0.000001290	3.485387397 Hartree
110	RY*(21)C2 s(0.75%)p2.11(1.58%)d9.56(7.17%)	0.000000445	3.975208991 Hartree
111	RY*(22)C2 s(2.20%)p1.98(4.36%)d4.65(10.23%)	0.000001136	4.187492851 Hartree
112	RY*(23)C2 s(0.36%)p2.21(0.80%)d2.82(1.02%)	0.000003687	4.038906849 Hartree
113	RY*(24)C2 s(1.29%)p1.62(2.09%)d3.98(5.12%)	0.000001778	3.850338836 Hartree
114	RY*(25)C2 s(0.89%)p2.46(2.18%)d8.90(7.88%)	0.000001261	4.339938391 Hartree
115	RY*(1)O3 s(20.15%)p3.81(76.73%)d0.15(2.96%)	0.003740373	1.141812474 Hartree
116	RY*(2)O3 s(3.74%)p24.87(93.12%)d0.77(2.88%)	0.002972227	1.040481276 Hartree
117	RY*(3)O3 s(33.33%)p1.66(55.40%)d0.29(9.54%)	0.000833362	2.886516719 Hartree
118	RY*(4)O3 s(22.07%)p2.39(52.86%)d1.04(23.01%)	0.000354010	2.851370569 Hartree
119	RY*(5)O3 s(4.96%)p4.83(23.93%)d13.44(66.62%)	0.000199621	3.930711368 Hartree
120	RY*(6)O3 s(4.39%)p3.23(14.20%)d18.15(79.69%)	0.000130411	3.808660518 Hartree
121	RY*(7)O3 s(1.22%)p16.02(19.61%)d63.07(77.21%)	0.000109942	3.905952817 Hartree
122	RY*(8)O3 s(10.61%)p1.42(15.03%)d6.66(70.66%)	0.000076288	4.519502130 Hartree
123	RY*(9)O3 s(12.94%)p0.47(6.05%)d5.42(70.18%)	0.000047415	4.178098052 Hartree
124	RY*(10)O3 s(4.98%)p7.19(35.80%)d10.22(50.91%)	0.000022064	4.635617038 Hartree
125	RY*(11)O3 s(62.76%)p0.05(3.04%)d0.54(33.79%)	0.000006249	7.645691233 Hartree
126	RY*(12)O3 s(1.15%)p4.80(5.53%)d80.38(92.63%)	0.000003613	5.510963707 Hartree
127	RY*(13)O3 s(2.97%)p30.77(91.33%)d1.80(5.34%)	0.000003554	3.962610095 Hartree
128	RY*(14)O3 s(0.75%)p2.38(1.78%)d99.99(96.65%)	0.000002645	6.490231878 Hartree
129	RY*(15)O3 s(8.28%)p9.65(79.86%)d1.35(11.20%)	0.000005658	3.905424314 Hartree
130	RY*(16)O3 s(2.06%)p2.41(4.96%)d45.01(92.55%)	0.000005351	6.564232626 Hartree
131	RY*(17)O3 s(1.09%)p10.43(11.42%)d79.60(87.15%)	0.000006960	5.258928689 Hartree
132	RY*(18)O3 s(0.03%)p84.30(2.63%)d99.99(97.34%)	0.000001334	5.745325019 Hartree
133	RY*(19)O3 s(0.27%)p0.52(0.14%)d7.09(1.89%)	0.000001206	5.355530954 Hartree
134	RY*(20)O3 s(0.65%)p4.54(2.94%)d9.12(5.91%)	0.000002306	5.619652511 Hartree
135	RY*(21)O3 s(0.17%)p0.93(0.16%)d6.58(1.14%)	0.000000238	5.222423139 Hartree
136	RY*(22)O3 s(0.85%)p0.53(0.45%)d3.08(2.62%)	0.000001493	5.476567557 Hartree
137	RY*(23)O3 s(0.24%)p2.35(0.57%)d15.01(3.62%)	0.000003100	5.386532250 Hartree
138	RY*(24)O3 s(0.02%)p49.35(0.98%)d99.99(12.56%)	0.000007120	5.709487939 Hartree
139	RY*(25)O3 s(0.33%)p5.36(1.79%)d4.89(1.63%)	0.000005339	5.680995613 Hartree
140	RY*(1)C4 s(1.16%)p72.06(83.43%)d13.09(15.16%)	0.005653954	1.747550129 Hartree
141	RY*(2)C4 s(6.19%)p14.59(90.28%)d0.52(3.20%)	0.004234186	1.393125161 Hartree
142	RY*(3)C4 s(34.47%)p0.70(24.20%)d1.16(39.82%)	0.002639440	1.932712673 Hartree
143	RY*(4)C4 s(3.17%)p19.77(62.77%)d10.64(33.78%)	0.002006872	2.311914657 Hartree
144	RY*(5)C4 s(0.72%)p13.77(9.88%)d99.99(78.72%)	0.001240577	2.877311843 Hartree
145	RY*(6)C4 s(0.75%)p19.29(14.42%)d99.99(82.95%)	0.001031453	1.641373439 Hartree
146	RY*(7)C4 s(30.17%)p0.11(3.19%)d2.15(64.95%)	0.000811187	2.059119878 Hartree
147	RY*(8)C4 s(1.07%)p1.29(1.38%)d88.69(94.98%)	0.000438620	3.244389636 Hartree
148	RY*(9)C4 s(10.22%)p1.29(13.19%)d7.33(74.98%)	0.000329866	2.472792499 Hartree
149	RY*(10)C4 s(8.45%)p0.83(7.06%)d9.77(82.58%)	0.000203991	3.143433341 Hartree
150	RY*(11)C4 s(1.29%)p42.25(54.65%)d12.31(15.93%)	0.000121644	3.306098855 Hartree
151	RY*(12)C4 s(0.97%)p26.66(25.94%)d70.60(68.69%)	0.000072145	3.552338817 Hartree
152	RY*(13)C4 s(23.14%)p0.30(6.98%)d2.42(55.97%)	0.000074839	2.537839736 Hartree
153	RY*(14)C4 s(13.83%)p3.13(43.26%)d2.39(33.04%)	0.000040931	2.542640166 Hartree
154	RY*(15)C4 s(2.63%)p24.40(64.15%)d6.84(17.97%)	0.000016543	3.054568582 Hartree
155	RY*(16)C4 s(21.47%)p0.35(7.41%)d2.15(46.26%)	0.000018560	3.043425078 Hartree
156	RY*(17)C4 s(3.45%)p10.65(36.71%)d12.56(43.31%)	0.000026050	2.473615372 Hartree
157	RY*(18)C4 s(1.05%)p2.13(2.24%)d91.60(96.43%)	0.000009973	3.857883787 Hartree
158	RY*(19)C4 s(0.56%)p5.39(3.04%)d13.35(7.53%)	0.000001685	3.376527580 Hartree
159	RY*(20)C4 s(5.51%)p0.67(3.69%)d0.97(5.36%)	0.000001943	3.504108568 Hartree
160	RY*(21)C4 s(0.01%)p99.99(12.85%)d99.99(6.42%)	0.000003376	3.439658841 Hartree
161	RY*(22)C4 s(0.45%)p23.79(10.60%)d13.13(5.85%)	0.000003933	3.376696115 Hartree
162	RY*(23)C4 s(2.30%)p2.17(4.98%)d3.02(6.94%)	0.000002156	3.769956292 Hartree
163	RY*(24)C4 s(13.88%)p0.37(5.13%)d0.56(7.82%)	0.000002323	4.275595244 Hartree
164	RY*(25)C4 s(13.16%)p0.67(8.78%)d0.85(11.14%)	0.000009734	3.849607748 Hartree
165	RY*(1)C5 s(0.07%)p99.99(75.58%)d99.99(23.98%)	0.004871310	1.825946930 Hartree
166	RY*(2)C5 s(1.46%)p66.20(96.57%)d1.04(1.51%)	0.001923445	2.041337971 Hartree
167	RY*(3)C5 s(13.97%)p4.66(65.08%)d1.39(19.39%)	0.001129118	1.178830029 Hartree
168	RY*(4)C5 s(45.72%)p0.48(22.02%)d0.67(30.78%)	0.001079449	2.458134062 Hartree
169	RY*(5)C5 s(0.84%)p10.92(9.17%)d99.56(83.65%)	0.000590997	2.613631941 Hartree
170	RY*(6)C5 s(2.91%)p1.11(3.22%)d31.06(90.49%)	0.000413276	2.874233144 Hartree
171	RY*(7)C5 s(23.02%)p0.47(10.85%)d2.75(63.28%)	0.000336002	2.089652362 Hartree
172	RY*(8)C5 s(2.14%)p24.87(53.33%)d13.57(29.09%)	0.000146452	2.599198785 Hartree
173	RY*(9)C5 s(17.58%)p0.79(13.87%)d2.66(46.85%)	0.000086935	3.035693186 Hartree
174	RY*(10)C5 s(10.72%)p1.08(11.57%)d6.19(66.36%)	0.000085327	2.309031190 Hartree
175	RY*(11)C5 s(1.51%)p17.88(26.95%)d45.49(68.54%)	0.000065072	1.574761228 Hartree
176	RY*(12)C5 s(0.54%)p26.16(14.14%)d99.99(76.31%)	0.000023748	1.840904384 Hartree
177	RY*(13)C5 s(35.91%)p0.09(3.33%)d1.15(41.39%)	0.000025477	3.125007601 Hartree
178	RY*(14)C5 s(0.38%)p4.08(1.54%)d99.99(97.33%)	0.000001363	3.450023861 Hartree
179	RY*(15)C5 s(0.12%)p99.99(84.82%)d99.99(12.57%)	0.000004295	2.279728328 Hartree
180	RY*(16)C5 s(8.04%)p0.62(4.98%)d10.57(84.93%)	0.000007430	3.910173225 Hartree
181	RY*(17)C5 s(0.48%)p99.99(73.68%)d52.28(25.35%)	0.000009731	3.142531581 Hartree
182	RY*(18)C5 s(1.37%)p6.29(8.63%)d62.74(86.04%)	0.000006663	3.816613912 Hartree
183	RY*(19)C5 s(0.17%)p4.85(0.84%)d23.13(4.00%)	0.000001447	3.356849077 Hartree
184	RY*(20)C5 s(2.19%)p0.47(1.03%)d1.61(3.53%)	0.000001767	3.504852138 Hartree
185	RY*(21)C5 s(0.39%)p1.19(0.47%)d18.21(7.18%)	0.000003481	3.325018628 Hartree
186	RY*(22)C5 s(0.23%)p4.59(1.06%)d33.46(7.74%)	0.000001896	3.465497812 Hartree
187	RY*(23)C5 s(0.50%)p2.31(1.15%)d5.59(2.77%)	0.000001461	3.597391294 Hartree
188	RY*(24)C5 s(8.10%)p0.58(4.67%)d0.89(7.24%)	0.000005445	4.493871781 Hartree
189	RY*(25)C5 s(21.66%)p0.54(11.76%)d0.90(19.42%)	0.000006588	4.224715656 Hartree
190	RY*(1)C6 s(0.12%)p99.99(75.70%)d99.99(23.97%)	0.004872414	1.839769109 Hartree
191	RY*(2)C6 s(0.38%)p99.99(91.66%)d19.94(7.56%)	0.001835305	2.187585417 Hartree
192	RY*(3)C6 s(1.03%)p85.27(87.97%)d9.41(9.71%)	0.001332936	0.687311607 Hartree
193	RY*(4)C6 s(65.64%)p0.07(4.81%)d0.42(27.67%)	0.001005903	2.752031346 Hartree
194	RY*(5)C6 s(0.47%)p36.61(17.22%)d99.99(77.13%)	0.000555050	2.422494412 Hartree
195	RY*(6)C6 s(8.89%)p0.63(5.63%)d9.44(83.87%)	0.000310055	1.969847953 Hartree
196	RY*(7)C6 s(5.60%)p1.32(7.38%)d14.88(83.33%)	0.000310667	2.643262982 Hartree
197	RY*(8)C6 s(5.47%)p6.71(36.71%)d9.83(53.78%)	0.000191394	2.283972373 Hartree
198	RY*(9)C6 s(11.21%)p4.22(47.31%)d2.04(22.90%)	0.000100478	2.777955122 Hartree
199	RY*(10)C6 s(5.35%)p1.16(6.19%)d14.92(79.87%)	0.000107595	2.276224481 Hartree
200	RY*(11)C6 s(10.45%)p2.21(23.06%)d5.72(59.74%)	0.000060117	3.128730897 Hartree
201	RY*(12)C6 s(37.39%)p0.47(17.61%)d0.73(27.18%)	0.000042794	2.680447701 Hartree
202	RY*(13)C6 s(10.27%)p0.16(1.67%)d2.67(27.42%)	0.000019957	4.177529957 Hartree
203	RY*(14)C6 s(2.98%)p0.34(1.02%)d31.97(95.18%)	0.000001116	3.362837882 Hartree
204	RY*(15)C6 s(1.17%)p51.79(60.72%)d31.84(37.33%)	0.000007568	3.054687514 Hartree
205	RY*(16)C6 s(6.23%)p0.59(3.69%)d12.33(76.85%)	0.000003655	3.725413820 Hartree
206	RY*(17)C6 s(0.12%)p99.99(94.32%)d35.22(4.38%)	0.000001433	2.202149840 Hartree
207	RY*(18)C6 s(10.58%)p0.11(1.19%)d8.21(86.82%)	0.000002818	4.347872932 Hartree
208	RY*(19)C6 s(0.88%)p0.61(0.53%)d1.82(1.60%)	0.000000600	3.337754696 Hartree
209	RY*(20)C6 s(0.17%)p23.08(3.99%)d29.92(5.17%)	0.000001852	3.613265159 Hartree
210	RY*(21)C6 s(1.82%)p1.67(3.05%)d2.71(4.93%)	0.000001236	3.433379159 Hartree
211	RY*(22)C6 s(0.03%)p90.84(2.97%)d99.99(8.08%)	0.000001544	3.531421246 Hartree
212	RY*(23)C6 s(0.26%)p1.54(0.39%)d8.23(2.11%)	0.000000587	3.534185691 Hartree
213	RY*(24)C6 s(11.01%)p0.17(1.92%)d0.41(4.48%)	0.000001468	4.655344639 Hartree
214	RY*(25)C6 s(2.50%)p1.42(3.54%)d35.48(88.72%)	0.000008962	1.650017144 Hartree
215	RY*(1)C7 s(8.73%)p7.42(64.77%)d3.01(26.25%)	0.004679091	1.873702149 Hartree
216	RY*(2)C7 s(0.05%)p99.99(82.30%)d99.99(17.59%)	0.003296298	1.724309335 Hartree
217	RY*(3)C7 s(6.36%)p6.90(43.92%)d7.78(49.50%)	0.002127932	1.814871704 Hartree
218	RY*(4)C7 s(5.97%)p3.32(19.84%)d12.27(73.28%)	0.001306892	2.754519800 Hartree
219	RY*(5)C7 s(1.61%)p15.88(25.63%)d44.32(71.52%)	0.001252033	2.076126449 Hartree
220	RY*(6)C7 s(20.83%)p0.61(12.70%)d3.13(65.17%)	0.000972240	2.124032202 Hartree
221	RY*(7)C7 s(50.38%)p0.75(38.01%)d0.20(10.25%)	0.000536393	1.464501286 Hartree
222	RY*(8)C7 s(0.74%)p4.11(3.05%)d99.99(94.06%)	0.000389638	3.224429971 Hartree
223	RY*(9)C7 s(0.71%)p23.95(17.11%)d99.99(72.98%)	0.000172750	2.823208158 Hartree
224	RY*(10)C7 s(2.65%)p15.90(42.10%)d12.26(32.48%)	0.000134293	2.884778557 Hartree
225	RY*(11)C7 s(4.53%)p2.07(9.40%)d17.65(79.94%)	0.000065041	3.876923226 Hartree
226	RY*(12)C7 s(9.19%)p0.89(8.17%)d8.64(79.41%)	0.000046559	3.423498386 Hartree
227	RY*(13)C7 s(47.45%)p0.01(0.25%)d0.51(24.28%)	0.000023886	3.329672950 Hartree
228	RY*(14)C7 s(0.94%)p33.97(31.79%)d4.57(4.28%)	0.000018593	3.716723010 Hartree
229	RY*(15)C7 s(0.48%)p19.51(9.30%)d99.99(89.74%)	0.000001589	2.347468708 Hartree
230	RY*(16)C7 s(0.50%)p99.99(89.62%)d17.57(8.84%)	0.000010592	3.306857671 Hartree
231	RY*(17)C7 s(2.76%)p0.06(0.16%)d34.65(95.57%)	0.000002157	1.430008713 Hartree
232	RY*(18)C7 s(9.01%)p0.07(0.62%)d9.67(87.09%)	0.000002215	4.009527145 Hartree
233	RY*(19)C7 s(5.62%)p0.05(0.27%)d0.46(2.61%)	0.000001262	3.334867931 Hartree
234	RY*(20)C7 s(2.83%)p0.06(0.16%)d1.55(4.39%)	0.000001398	3.386019077 Hartree
235	RY*(21)C7 s(1.87%)p0.25(0.47%)d1.98(3.70%)	0.000003146	3.473028524 Hartree
236	RY*(22)C7 s(0.73%)p0.48(0.35%)d2.43(1.77%)	0.000000961	3.621947205 Hartree
237	RY*(23)C7 s(6.62%)p0.11(0.73%)d0.30(2.01%)	0.000000192	3.631239680 Hartree
238	RY*(24)C7 s(9.42%)p0.02(0.24%)d0.26(2.41%)	0.000001910	4.725304213 Hartree
239	RY*(25)C7 s(0.03%)p99.99(99.22%)d24.05(0.73%)	0.000002570	2.228242037 Hartree
240	RY*(1)C8 s(0.08%)p99.99(77.26%)d99.99(22.40%)	0.004719249	1.887393301 Hartree
241	RY*(2)C8 s(0.32%)p99.99(92.59%)d20.51(6.66%)	0.001934540	2.166444399 Hartree
242	RY*(3)C8 s(1.20%)p72.95(87.31%)d8.60(10.29%)	0.001264380	0.700264533 Hartree
243	RY*(4)C8 s(66.38%)p0.09(6.30%)d0.37(24.70%)	0.001062397	2.823572834 Hartree
244	RY*(5)C8 s(1.33%)p12.15(16.14%)d59.05(78.46%)	0.000598356	2.346084420 Hartree
245	RY*(6)C8 s(11.55%)p0.53(6.10%)d6.72(77.58%)	0.000330399	1.984489928 Hartree
246	RY*(7)C8 s(1.53%)p0.81(1.23%)d62.11(94.88%)	0.000293660	2.606155539 Hartree
247	RY*(8)C8 s(11.12%)p2.11(23.51%)d5.47(60.79%)	0.000187037	1.970589400 Hartree
248	RY*(9)C8 s(2.16%)p23.33(50.48%)d8.39(18.16%)	0.000124640	3.272648355 Hartree
249	RY*(10)C8 s(1.58%)p3.41(5.40%)d51.52(81.51%)	0.000130862	2.339859823 Hartree
250	RY*(11)C8 s(42.77%)p0.28(12.04%)d0.76(32.37%)	0.000063625	2.865188591 Hartree
251	RY*(12)C8 s(16.49%)p1.23(20.25%)d3.14(51.77%)	0.000043395	3.074354644 Hartree
252	RY*(13)C8 s(8.77%)p0.92(8.04%)d3.65(31.96%)	0.000024342	3.626429315 Hartree
253	RY*(14)C8 s(0.58%)p2.70(1.57%)d99.99(94.69%)	0.000002487	3.327213868 Hartree
254	RY*(15)C8 s(1.73%)p3.73(6.45%)d49.41(85.52%)	0.000010294	1.718814571 Hartree
255	RY*(16)C8 s(5.17%)p1.24(6.40%)d16.53(85.48%)	0.000006332	3.749097784 Hartree
256	RY*(17)C8 s(1.68%)p45.16(75.78%)d5.12(8.59%)	0.000005353	2.759324935 Hartree
257	RY*(18)C8 s(3.60%)p0.52(1.87%)d25.50(91.91%)	0.000003519	3.962502322 Hartree
258	RY*(19)C8 s(0.09%)p50.05(4.34%)d68.70(5.96%)	0.000001927	3.341455614 Hartree
259	RY*(20)C8 s(0.86%)p6.10(5.24%)d5.63(4.84%)	0.000001855	3.501960894 Hartree
260	RY*(21)C8 s(0.36%)p6.33(2.28%)d32.87(11.84%)	0.000002774	3.344283001 Hartree
261	RY*(22)C8 s(0.61%)p0.12(0.07%)d8.96(5.46%)	0.000001464	3.471065011 Hartree
262	RY*(23)C8 s(0.23%)p8.92(2.04%)d10.90(2.49%)	0.000001234	3.607773502 Hartree
263	RY*(24)C8 s(19.21%)p0.07(1.33%)d0.14(2.62%)	0.000002126	5.100471773 Hartree
264	RY*(25)C8 s(0.64%)p99.99(86.25%)d13.74(8.81%)	0.000003058	2.407020310 Hartree
265	RY*(1)C9 s(0.18%)p99.99(80.03%)d99.99(19.68%)	0.004077569	1.735565031 Hartree
266	RY*(2)C9 s(7.22%)p12.33(89.04%)d0.49(3.51%)	0.002210128	2.106280175 Hartree
267	RY*(3)C9 s(48.30%)p0.28(13.67%)d0.76(36.47%)	0.001238519	2.883973066 Hartree
268	RY*(4)C9 s(0.87%)p90.67(78.98%)d21.79(18.98%)	0.001154860	0.930689654 Hartree
269	RY*(5)C9 s(2.96%)p1.04(3.07%)d30.71(90.88%)	0.000403495	3.048290042 Hartree
270	RY*(6)C9 s(31.52%)p0.30(9.59%)d1.76(55.54%)	0.000366731	1.909853565 Hartree
271	RY*(7)C9 s(9.69%)p2.79(27.03%)d6.47(62.71%)	0.000286513	2.701231258 Hartree
272	RY*(8)C9 s(0.43%)p33.85(14.59%)d99.99(78.16%)	0.000128966	2.087886318 Hartree
273	RY*(9)C9 s(4.58%)p6.20(28.43%)d10.89(49.92%)	0.000127314	3.372519609 Hartree
274	RY*(10)C9 s(3.12%)p12.82(39.97%)d16.62(51.81%)	0.000098034	2.547355077 Hartree
275	RY*(11)C9 s(0.15%)p99.99(22.64%)d99.99(64.56%)	0.000070317	1.700786872 Hartree
276	RY*(12)C9 s(4.11%)p3.30(13.57%)d15.78(64.93%)	0.000038751	3.625455991 Hartree
277	RY*(13)C9 s(57.32%)p0.03(1.60%)d0.33(19.08%)	0.000044781	2.895927713 Hartree
278	RY*(14)C9 s(0.52%)p1.61(0.84%)d99.99(95.37%)	0.000011100	2.698929680 Hartree
279	RY*(15)C9 s(0.17%)p99.99(61.67%)d99.99(37.29%)	0.000008604	3.346635741 Hartree
280	RY*(16)C9 s(0.54%)p99.99(89.39%)d16.39(8.83%)	0.000003268	2.476845352 Hartree
281	RY*(17)C9 s(0.71%)p5.37(3.80%)d99.99(94.60%)	0.000008379	2.071440595 Hartree
282	RY*(18)C9 s(6.69%)p0.10(0.66%)d13.57(90.74%)	0.000004000	4.086187666 Hartree
283	RY*(19)C9 s(0.78%)p0.46(0.36%)d2.97(2.31%)	0.000002301	3.328829213 Hartree
284	RY*(20)C9 s(1.14%)p2.17(2.48%)d4.84(5.52%)	0.000001918	3.518920919 Hartree
285	RY*(21)C9 s(0.29%)p7.00(2.02%)d24.38(7.02%)	0.000002011	3.454516313 Hartree
286	RY*(22)C9 s(0.24%)p18.82(4.51%)d34.43(8.26%)	0.000003945	3.578600609 Hartree
287	RY*(23)C9 s(0.52%)p3.40(1.78%)d7.49(3.92%)	0.000005258	3.606191528 Hartree
288	RY*(24)C9 s(17.10%)p0.07(1.15%)d0.15(2.65%)	0.000003166	5.114398438 Hartree
289	RY*(25)C9 s(0.89%)p10.63(9.43%)d30.43(26.99%)	0.000011354	3.788459898 Hartree
290	RY*(1)H10 s(93.95%)p0.02(1.74%)d0.05(4.31%)	0.000783814	1.214009388 Hartree
291	RY*(2)H10 s(72.74%)p0.22(15.98%)d0.16(11.28%)	0.000193021	2.648488069 Hartree
292	RY*(3)H10 s(3.67%)p18.03(66.19%)d8.21(30.14%)	0.000159741	1.986418571 Hartree
293	RY*(4)H10 s(0.72%)p86.30(61.87%)d52.19(37.41%)	0.000114749	2.265708794 Hartree
294	RY*(5)H10 s(15.37%)p2.86(44.02%)d2.64(40.61%)	0.000056505	3.275771385 Hartree
295	RY*(6)H10 s(0.23%)p99.99(47.08%)d99.99(52.69%)	0.000040305	4.466624760 Hartree
296	RY*(7)H10 s(0.75%)p59.20(44.60%)d72.54(54.65%)	0.000022704	5.212440633 Hartree
297	RY*(8)H10 s(3.03%)p31.21(94.43%)d0.84(2.54%)	0.000005146	4.153786384 Hartree
298	RY*(9)H10 s(5.87%)p0.31(1.85%)d15.71(92.28%)	0.000005461	3.852368752 Hartree
299	RY*(10)H10 s(0.17%)p73.96(12.41%)d99.99(87.43%)	0.000006176	3.848108229 Hartree
300	RY*(11)H10 s(0.14%)p99.99(18.65%)d99.99(81.21%)	0.000006924	3.757823944 Hartree
301	RY*(12)H10 s(2.91%)p31.67(92.29%)d1.65(4.79%)	0.000003785	4.120960446 Hartree
302	RY*(13)H10 s(0.50%)p99.99(98.85%)d1.32(0.66%)	0.000003103	3.495999100 Hartree
303	RY*(1)H11 s(96.63%)p0.01(0.86%)d0.03(2.51%)	0.001418135	0.735744462 Hartree
304	RY*(2)H11 s(77.31%)p0.19(14.97%)d0.10(7.73%)	0.000257408	2.672166301 Hartree
305	RY*(3)H11 s(0.03%)p99.99(70.14%)d99.99(29.83%)	0.000212373	1.811887401 Hartree
306	RY*(4)H11 s(1.97%)p38.47(75.92%)d11.20(22.10%)	0.000094780	2.189993342 Hartree
307	RY*(5)H11 s(12.80%)p3.50(44.83%)d3.31(42.37%)	0.000054231	3.381974379 Hartree
308	RY*(6)H11 s(8.63%)p1.24(10.69%)d9.35(80.68%)	0.000054895	4.178527328 Hartree
309	RY*(7)H11 s(0.39%)p99.99(97.13%)d6.42(2.49%)	0.000004293	4.112481291 Hartree
310	RY*(8)H11 s(0.73%)p39.86(28.98%)d96.68(70.29%)	0.000012483	5.309840176 Hartree
311	RY*(9)H11 s(0.43%)p99.99(89.87%)d22.60(9.71%)	0.000007834	3.961953366 Hartree
312	RY*(10)H11 s(0.13%)p44.33(5.65%)d99.99(94.22%)	0.000008996	3.656242786 Hartree
313	RY*(11)H11 s(0.17%)p99.99(28.67%)d99.99(71.16%)	0.000005085	4.040926682 Hartree
314	RY*(12)H11 s(0.01%)p99.99(98.89%)d99.03(1.10%)	0.000000559	3.639988876 Hartree
315	RY*(13)H11 s(0.81%)p41.27(33.37%)d81.39(65.82%)	0.000009385	4.091776274 Hartree
316	RY*(1)N12 s(3.88%)p23.32(90.43%)d1.42(5.52%)	0.002736034	0.774181234 Hartree
317	RY*(2)N12 s(0.02%)p99.99(89.99%)d99.99(9.38%)	0.001467301	1.218633301 Hartree
318	RY*(3)N12 s(4.68%)p5.74(26.88%)d13.41(62.79%)	0.000281657	2.847354499 Hartree
319	RY*(4)N12 s(9.10%)p4.53(41.26%)d5.12(46.58%)	0.000210650	2.698249875 Hartree
320	RY*(5)N12 s(1.23%)p48.16(59.10%)d31.99(39.25%)	0.000117613	1.252794040 Hartree
321	RY*(6)N12 s(0.38%)p6.36(2.42%)d99.99(93.16%)	0.000091321	1.809656764 Hartree
322	RY*(7)N12 s(3.63%)p1.85(6.72%)d21.96(79.67%)	0.000084534	2.417523721 Hartree
323	RY*(8)N12 s(3.91%)p4.23(16.56%)d8.97(35.08%)	0.000034047	3.712242880 Hartree
324	RY*(9)N12 s(74.02%)p0.15(11.06%)d0.15(11.43%)	0.000002756	1.513990102 Hartree
325	RY*(10)N12 s(0.06%)p99.99(6.22%)d99.99(93.65%)	0.000001868	4.946099904 Hartree
326	RY*(11)N12 s(0.42%)p20.31(8.54%)d99.99(87.76%)	0.000007637	1.689208819 Hartree
327	RY*(12)N12 s(0.10%)p13.75(1.36%)d99.99(98.40%)	0.000000466	4.633462093 Hartree
328	RY*(13)N12 s(0.03%)p99.99(94.84%)d99.99(4.56%)	0.000010445	3.997316941 Hartree
329	RY*(14)N12 s(0.04%)p31.07(1.33%)d99.99(98.45%)	0.000000089	4.926684740 Hartree
330	RY*(15)N12 s(85.74%)p0.14(11.62%)d0.02(1.47%)	0.000001824	7.518198438 Hartree
331	RY*(16)N12 s(1.33%)p0.25(0.33%)d73.82(97.89%)	0.000001656	4.936470869 Hartree
332	RY*(17)N12 s(0.30%)p99.99(98.69%)d3.22(0.97%)	0.000003649	3.430155296 Hartree
333	RY*(18)N12 s(0.32%)p9.35(2.97%)d99.99(96.62%)	0.000002213	4.822223919 Hartree
334	RY*(19)N12 s(0.32%)p4.01(1.28%)d12.65(4.04%)	0.000000327	4.482351731 Hartree
335	RY*(20)N12 s(3.56%)p3.91(13.92%)d2.54(9.05%)	0.000000846	4.603791461 Hartree
336	RY*(21)N12 s(0.02%)p10.68(0.26%)d95.14(2.29%)	0.000000082	4.587284728 Hartree
337	RY*(22)N12 s(1.25%)p3.22(4.02%)d3.24(4.04%)	0.000000881	4.668899523 Hartree
338	RY*(23)N12 s(0.06%)p7.95(0.45%)d56.81(3.19%)	0.000000827	4.757421874 Hartree
339	RY*(24)N12 s(5.58%)p1.69(9.45%)d1.77(9.91%)	0.000002866	4.811887633 Hartree
340	RY*(25)N12 s(0.17%)p6.21(1.06%)d23.59(4.02%)	0.000005431	4.954372468 Hartree
341	RY*(1)H13 s(73.83%)p0.33(24.00%)d0.03(2.17%)	0.000803064	1.349740663 Hartree
342	RY*(2)H13 s(37.07%)p1.43(53.00%)d0.27(9.92%)	0.000722855	1.549627414 Hartree
343	RY*(3)H13 s(62.80%)p0.46(28.83%)d0.13(8.37%)	0.000265625	2.012657062 Hartree
344	RY*(4)H13 s(13.75%)p4.48(61.61%)d1.79(24.64%)	0.000128474	1.903196442 Hartree
345	RY*(5)H13 s(4.34%)p17.85(77.52%)d4.18(18.13%)	0.000065780	3.615574605 Hartree
346	RY*(6)H13 s(1.48%)p66.08(98.12%)d0.27(0.40%)	0.000003265	3.921549120 Hartree
347	RY*(7)H13 s(1.15%)p83.29(95.50%)d2.92(3.35%)	0.000006749	4.464807923 Hartree
348	RY*(8)H13 s(0.48%)p99.99(99.38%)d0.28(0.14%)	0.000004952	3.425038496 Hartree
349	RY*(9)H13 s(0.39%)p37.65(14.65%)d99.99(84.97%)	0.000002830	4.263290670 Hartree
350	RY*(10)H13 s(0.35%)p16.35(5.80%)d99.99(93.85%)	0.000004853	3.848154478 Hartree
351	RY*(11)H13 s(0.29%)p23.95(7.05%)d99.99(92.66%)	0.000003865	4.125360010 Hartree
352	RY*(12)H13 s(1.76%)p18.43(32.52%)d37.26(65.72%)	0.000005831	4.398018924 Hartree
353	RY*(13)H13 s(2.36%)p0.83(1.96%)d40.54(95.68%)	0.000004303	3.792146865 Hartree
354	RY*(1)H14 s(36.46%)p1.53(55.76%)d0.21(7.78%)	0.000785463	1.901704063 Hartree
355	RY*(2)H14 s(69.40%)p0.38(26.62%)d0.06(3.98%)	0.000660956	1.124923357 Hartree
356	RY*(3)H14 s(64.96%)p0.42(27.41%)d0.12(7.63%)	0.000265876	1.979219859 Hartree
357	RY*(4)H14 s(12.92%)p4.65(60.10%)d2.09(26.97%)	0.000116907	2.247586066 Hartree
358	RY*(5)H14 s(7.17%)p10.55(75.63%)d2.40(17.20%)	0.000040031	3.259641908 Hartree
359	RY*(6)H14 s(0.25%)p99.99(99.69%)d0.28(0.07%)	0.000003992	3.835605854 Hartree
360	RY*(7)H14 s(1.29%)p74.37(96.06%)d2.05(2.64%)	0.000005431	4.538785455 Hartree
361	RY*(8)H14 s(1.45%)p67.95(98.43%)d0.08(0.12%)	0.000004379	3.486814502 Hartree
362	RY*(9)H14 s(0.57%)p21.37(12.29%)d99.99(87.14%)	0.000008321	4.168301363 Hartree
363	RY*(10)H14 s(0.31%)p17.49(5.50%)d99.99(94.18%)	0.000005446	3.904926358 Hartree
364	RY*(11)H14 s(3.72%)p0.96(3.57%)d24.95(92.72%)	0.000001582	4.176563998 Hartree
365	RY*(12)H14 s(0.67%)p46.74(31.47%)d99.99(67.85%)	0.000005828	4.113214127 Hartree
366	RY*(13)H14 s(0.88%)p8.43(7.41%)d99.99(91.71%)	0.000008121	3.925965591 Hartree
367	RY*(1)H15 s(94.01%)p0.02(1.64%)d0.05(4.35%)	0.000928400	1.166073062 Hartree
368	RY*(2)H15 s(64.00%)p0.37(23.50%)d0.20(12.49%)	0.000277194	2.948145835 Hartree
369	RY*(3)H15 s(0.23%)p99.99(70.02%)d99.99(29.75%)	0.000214163	1.811839118 Hartree
370	RY*(4)H15 s(2.69%)p28.09(75.51%)d8.11(21.80%)	0.000095759	2.178636156 Hartree
371	RY*(5)H15 s(2.70%)p4.16(11.23%)d31.90(86.07%)	0.000057217	4.481197366 Hartree
372	RY*(6)H15 s(23.46%)p1.92(45.03%)d1.34(31.51%)	0.000033438	3.137241950 Hartree
373	RY*(7)H15 s(3.02%)p21.85(65.97%)d10.27(31.01%)	0.000012573	3.936814065 Hartree
374	RY*(8)H15 s(0.45%)p99.99(80.58%)d41.77(18.96%)	0.000007672	4.610376158 Hartree
375	RY*(9)H15 s(3.75%)p1.36(5.09%)d24.34(91.16%)	0.000005601	4.458523131 Hartree
376	RY*(10)H15 s(0.02%)p99.99(11.58%)d99.99(88.40%)	0.000008230	3.824459219 Hartree
377	RY*(11)H15 s(0.03%)p99.99(20.09%)d99.99(79.87%)	0.000006077	3.973517382 Hartree
378	RY*(12)H15 s(5.56%)p16.19(89.97%)d0.80(4.47%)	0.000001644	3.789869339 Hartree
379	RY*(13)H15 s(0.14%)p99.99(99.72%)d1.06(0.14%)	0.000000960	3.616640652 Hartree
380	RY*(1)H16 s(94.70%)p0.01(1.30%)d0.04(4.00%)	0.000835542	1.130874919 Hartree
381	RY*(2)H16 s(64.77%)p0.33(21.18%)d0.22(14.05%)	0.000262711	2.874543478 Hartree
382	RY*(3)H16 s(0.06%)p99.99(65.83%)d99.99(34.11%)	0.000171175	1.939453699 Hartree
383	RY*(4)H16 s(2.79%)p26.07(72.64%)d8.82(24.57%)	0.000107810	2.119127354 Hartree
384	RY*(5)H16 s(5.33%)p3.67(19.57%)d14.09(75.10%)	0.000055301	4.455802908 Hartree
385	RY*(6)H16 s(21.88%)p1.48(32.35%)d2.09(45.77%)	0.000040112	3.069048802 Hartree
386	RY*(7)H16 s(2.81%)p19.14(53.79%)d15.44(43.40%)	0.000014842	4.251149851 Hartree
387	RY*(8)H16 s(1.92%)p49.25(94.44%)d1.90(3.65%)	0.000002267	4.099353047 Hartree
388	RY*(9)H16 s(1.80%)p3.46(6.22%)d51.19(91.98%)	0.000009001	4.593014883 Hartree
389	RY*(10)H16 s(0.66%)p9.82(6.47%)d99.99(92.87%)	0.000007535	3.624122980 Hartree
390	RY*(11)H16 s(0.33%)p93.12(30.64%)d99.99(69.03%)	0.000005833	3.916939387 Hartree
391	RY*(12)H16 s(3.01%)p31.92(96.23%)d0.25(0.76%)	0.000007187	4.176336092 Hartree
392	RY*(13)H16 s(0.00%)p1.00(99.29%)d0.01(0.71%)	0.000001085	3.552553027 Hartree
393	RY*(1)O17 s(4.84%)p18.59(89.97%)d1.06(5.13%)	0.001935028	1.609468874 Hartree
394	RY*(2)O17 s(0.04%)p99.99(74.27%)d99.99(24.18%)	0.001039437	1.499266412 Hartree
395	RY*(3)O17 s(26.29%)p1.12(29.34%)d1.63(42.93%)	0.000364170	2.440527474 Hartree
396	RY*(4)O17 s(13.46%)p2.44(32.89%)d3.82(51.38%)	0.000256375	3.034320389 Hartree
397	RY*(5)O17 s(5.79%)p4.43(25.69%)d11.55(66.89%)	0.000133523	2.134999910 Hartree
398	RY*(6)O17 s(4.80%)p3.61(17.32%)d15.84(76.00%)	0.000109624	2.151536686 Hartree
399	RY*(7)O17 s(34.13%)p0.87(29.66%)d1.01(34.38%)	0.000076773	5.105296233 Hartree
400	RY*(8)O17 s(34.74%)p0.26(8.92%)d1.52(52.80%)	0.000035729	3.551182307 Hartree
401	RY*(9)O17 s(41.92%)p1.31(54.96%)d0.07(3.10%)	0.000003894	5.147704587 Hartree
402	RY*(10)O17 s(1.08%)p3.14(3.41%)d88.01(95.45%)	0.000000856	6.136875316 Hartree
403	RY*(11)O17 s(6.17%)p14.08(86.92%)d1.07(6.61%)	0.000005770	3.776847590 Hartree
404	RY*(12)O17 s(0.56%)p2.72(1.51%)d99.99(97.90%)	0.000000392	6.105378951 Hartree
405	RY*(13)O17 s(7.95%)p4.97(39.56%)d6.56(52.22%)	0.000006846	2.385331384 Hartree
406	RY*(14)O17 s(0.77%)p2.07(1.60%)d99.99(97.60%)	0.000000735	6.464134008 Hartree
407	RY*(15)O17 s(14.51%)p5.75(83.46%)d0.14(2.00%)	0.000000881	4.290860554 Hartree
408	RY*(16)O17 s(0.39%)p6.94(2.70%)d99.99(96.90%)	0.000000462	6.213261795 Hartree
409	RY*(17)O17 s(0.14%)p87.87(12.00%)d99.99(87.85%)	0.000001809	1.612156604 Hartree
410	RY*(18)O17 s(0.05%)p83.65(3.93%)d99.99(96.02%)	0.000000264	6.168483334 Hartree
411	RY*(19)O17 s(0.91%)p0.50(0.46%)d0.84(0.76%)	0.000000924	5.503423152 Hartree
412	RY*(20)O17 s(0.15%)p1.69(0.26%)d10.26(1.56%)	0.000000914	5.304458360 Hartree
413	RY*(21)O17 s(0.02%)p30.32(0.59%)d31.37(0.61%)	0.000000294	5.634734052 Hartree
414	RY*(22)O17 s(0.00%)p1.00(0.25%)d3.66(0.90%)	0.000000642	5.552769046 Hartree
415	RY*(23)O17 s(0.08%)p5.35(0.44%)d15.51(1.26%)	0.000001149	5.546151525 Hartree
416	RY*(24)O17 s(0.67%)p1.52(1.02%)d4.42(2.96%)	0.000000731	5.384565066 Hartree
417	RY*(25)O17 s(0.65%)p0.54(0.36%)d1.66(1.08%)	0.000001101	5.469240313 Hartree
418	RY*(1)H18 s(74.57%)p0.27(19.80%)d0.08(5.63%)	0.000604142	0.781009543 Hartree
419	RY*(2)H18 s(35.34%)p1.25(44.21%)d0.58(20.45%)	0.000185467	1.552975202 Hartree
420	RY*(3)H18 s(22.57%)p1.21(27.21%)d2.23(50.22%)	0.000145152	2.593482512 Hartree
421	RY*(4)H18 s(49.30%)p0.45(22.13%)d0.58(28.56%)	0.000103121	2.573371503 Hartree
422	RY*(5)H18 s(0.05%)p99.99(45.99%)d99.99(53.96%)	0.000053763	3.519716554 Hartree
423	RY*(6)H18 s(1.49%)p42.83(63.92%)d23.17(34.59%)	0.000024932	3.077785317 Hartree
424	RY*(7)H18 s(1.21%)p79.48(95.92%)d2.38(2.87%)	0.000013876	3.613188320 Hartree
425	RY*(8)H18 s(9.35%)p9.58(89.55%)d0.12(1.10%)	0.000002587	4.087638129 Hartree
426	RY*(9)H18 s(0.51%)p99.99(75.84%)d46.36(23.65%)	0.000001830	3.908904106 Hartree
427	RY*(10)H18 s(0.39%)p45.68(17.63%)d99.99(81.98%)	0.000002172	3.526559019 Hartree
428	RY*(11)H18 s(1.25%)p67.09(83.96%)d11.82(14.79%)	0.000000690	4.056410017 Hartree
429	RY*(12)H18 s(3.08%)p1.83(5.65%)d29.64(91.27%)	0.000000601	4.295292033 Hartree
430	RY*(13)H18 s(0.98%)p8.30(8.12%)d92.92(90.91%)	0.000001589	3.504562980 Hartree
431	RY*(1)H19 s(85.97%)p0.11(9.52%)d0.05(4.52%)	0.000636383	0.668838790 Hartree
432	RY*(2)H19 s(20.80%)p3.02(62.83%)d0.79(16.37%)	0.000210290	1.533771852 Hartree
433	RY*(3)H19 s(29.40%)p0.73(21.39%)d1.67(49.21%)	0.000142261	2.747594617 Hartree
434	RY*(4)H19 s(44.71%)p0.50(22.48%)d0.73(32.81%)	0.000104774	2.726404282 Hartree
435	RY*(5)H19 s(1.48%)p23.41(34.57%)d43.32(63.96%)	0.000059035	3.740583784 Hartree
436	RY*(6)H19 s(1.68%)p47.81(80.22%)d10.79(18.10%)	0.000028700	2.596917549 Hartree
437	RY*(7)H19 s(1.02%)p93.39(95.34%)d3.56(3.64%)	0.000014687	3.488903197 Hartree
438	RY*(8)H19 s(0.39%)p99.99(85.52%)d36.20(14.09%)	0.000000770	4.047596489 Hartree
439	RY*(9)H19 s(0.25%)p29.43(7.39%)d99.99(92.35%)	0.000002527	3.321412339 Hartree
440	RY*(10)H19 s(0.62%)p99.99(80.09%)d31.35(19.30%)	0.000001591	4.097493901 Hartree
441	RY*(11)H19 s(10.20%)p8.78(89.52%)d0.03(0.28%)	0.000001920	4.233356764 Hartree
442	RY*(12)H19 s(0.08%)p74.74(6.21%)d99.99(93.71%)	0.000001880	3.278098419 Hartree
443	RY*(13)H19 s(3.50%)p1.39(4.85%)d26.19(91.65%)	0.000000464	4.604421161 Hartree
444	RY*(1)H20 s(90.52%)p0.05(4.34%)d0.06(5.15%)	0.000719302	0.828530734 Hartree
445	RY*(2)H20 s(37.44%)p1.64(61.23%)d0.04(1.33%)	0.000224399	1.684472699 Hartree
446	RY*(3)H20 s(0.64%)p22.65(14.50%)d99.99(84.86%)	0.000135029	3.815716891 Hartree
447	RY*(4)H20 s(33.40%)p1.26(42.16%)d0.73(24.43%)	0.000099610	2.861588814 Hartree
448	RY*(5)H20 s(21.18%)p0.96(20.32%)d2.76(58.50%)	0.000067048	2.965258816 Hartree
449	RY*(6)H20 s(1.90%)p44.12(83.97%)d7.42(14.13%)	0.000024794	3.774903573 Hartree
450	RY*(7)H20 s(0.01%)p99.99(66.75%)d99.99(33.24%)	0.000001246	4.040989673 Hartree
451	RY*(8)H20 s(0.42%)p99.99(98.42%)d2.78(1.16%)	0.000006974	1.850498051 Hartree
452	RY*(9)H20 s(1.94%)p10.16(19.66%)d40.50(78.40%)	0.000001034	3.739439567 Hartree
453	RY*(10)H20 s(2.52%)p33.44(84.34%)d5.21(13.14%)	0.000000578	3.816827504 Hartree
454	RY*(11)H20 s(8.07%)p3.49(28.15%)d7.90(63.78%)	0.000002347	4.105959449 Hartree
455	RY*(12)H20 s(1.26%)p57.50(72.36%)d20.97(26.39%)	0.000002052	3.951617891 Hartree
456	RY*(13)H20 s(0.78%)p4.78(3.73%)d99.99(95.48%)	0.000005281	3.704248455 Hartree

Natural Bond Orbitals

Display Range		- / 456
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	BD(1)C1-C2	795, 796	1.983812558	-0.733080775 Hartree
2	BD(1)C1-H18	797, 798	1.974408194	-0.590928222 Hartree
3	BD(1)C1-H19	799, 800	1.977783198	-0.592094831 Hartree
4	BD(1)C1-H20	801, 802	1.987892083	-0.592495899 Hartree
5	BD(1)C2-O3	803, 804	1.988894183	-0.998028068 Hartree
6	BD(1)C2-O17	805, 806	1.997774220	-1.216850245 Hartree
7	BD(2)C2-O17	807, 808	1.991600028	-0.463961295 Hartree
8	BD(1)O3-C4	809, 810	1.987865849	-0.973135111 Hartree
9	BD(1)C4-C5	811, 812	1.977897747	-0.783731956 Hartree
10	BD(2)C4-C5	813, 814	1.679187757	-0.300201438 Hartree
11	BD(1)C4-C9	815, 816	1.980290893	-0.783841161 Hartree
12	BD(1)C5-C6	817, 818	1.976231974	-0.778956158 Hartree
13	BD(1)C5-H16	819, 820	1.973845961	-0.583979110 Hartree
14	BD(1)C6-C7	821, 822	1.976022121	-0.773926349 Hartree
15	BD(2)C6-C7	823, 824	1.640995352	-0.291807569 Hartree
16	BD(1)C6-H15	825, 826	1.975424875	-0.583295810 Hartree
17	BD(1)C7-C8	827, 828	1.975928706	-0.772343022 Hartree
18	BD(1)C7-N12	829, 830	1.990864769	-0.880418117 Hartree
19	BD(1)C8-C9	831, 832	1.975263011	-0.778796367 Hartree
20	BD(2)C8-C9	833, 834	1.706137901	-0.294439128 Hartree
21	BD(1)C8-H11	835, 836	1.977507591	-0.585083741 Hartree
22	BD(1)C9-H10	837, 838	1.973609822	-0.582332280 Hartree
23	BD(1)N12-H13	839, 840	1.986536942	-0.719623698 Hartree
24	BD(1)N12-H14	841, 842	1.986598869	-0.719530820 Hartree
25	CR(1)C1	843	1.999373963	-10.405902538 Hartree
26	CR(1)C2	844	1.999523513	-10.557308797 Hartree
27	CR(1)O3	845	1.999722792	-19.467839662 Hartree
28	CR(1)C4	846	1.998778852	-10.457295100 Hartree
29	CR(1)C5	847	1.999151102	-10.390839399 Hartree
30	CR(1)C6	848	1.999169943	-10.389298037 Hartree
31	CR(1)C7	849	1.999108832	-10.438305927 Hartree
32	CR(1)C8	850	1.999172708	-10.388826017 Hartree
33	CR(1)C9	851	1.999138080	-10.390376997 Hartree
34	CR(1)N12	852	1.999542901	-14.575896440 Hartree
35	CR(1)O17	853	1.999762657	-19.322644110 Hartree
36	LP(1)O3	854	1.953715460	-0.650572307 Hartree
37	LP(2)O3	855	1.812519281	-0.405245435 Hartree
38	LP(1)N12	856	1.869165901	-0.365824970 Hartree
39	LP(1)O17	857	1.976792665	-0.810024059 Hartree
40	LP(2)O17	858	1.851001708	-0.341087685 Hartree
41	RY*(1)C1	859	0.001565307	1.022483881 Hartree
42	RY*(2)C1	860	0.000710626	1.998813999 Hartree
43	RY*(3)C1	861	0.000414476	1.308245722 Hartree
44	RY*(4)C1	862	0.000191195	2.559379139 Hartree
45	RY*(5)C1	863	0.000117160	2.469678300 Hartree
46	RY*(6)C1	864	0.000117365	2.636408855 Hartree
47	RY*(7)C1	865	0.000027228	2.346320386 Hartree
48	RY*(8)C1	866	0.000023775	2.938910244 Hartree
49	RY*(9)C1	867	0.000001997	2.927531392 Hartree
50	RY*(10)C1	868	0.000008603	2.308240650 Hartree
51	RY*(11)C1	869	0.000004143	2.761278034 Hartree
52	RY*(12)C1	870	0.000004231	2.482124076 Hartree
53	RY*(13)C1	871	0.000003608	3.008160705 Hartree
54	RY*(14)C1	872	0.000001543	3.047238002 Hartree
55	RY*(15)C1	873	0.000000862	5.109122697 Hartree
56	RY*(16)C1	874	0.000000681	3.005360952 Hartree
57	RY*(17)C1	875	0.000003615	2.115332912 Hartree
58	RY*(18)C1	876	0.000002332	2.695073667 Hartree
59	RY*(19)C1	877	0.000002351	4.017674716 Hartree
60	RY*(20)C1	878	0.000001298	3.424880599 Hartree
61	RY*(21)C1	879	0.000000309	3.550060055 Hartree
62	RY*(22)C1	880	0.000000874	3.370252511 Hartree
63	RY*(23)C1	881	0.000001944	3.450240487 Hartree
64	RY*(24)C1	882	0.000004075	3.288443733 Hartree
65	RY*(25)C1	883	0.000001698	3.608193025 Hartree
66	RY*(1)C2	884	0.017029646	1.201019306 Hartree
67	RY*(2)C2	885	0.004840003	2.092696779 Hartree
68	RY*(3)C2	886	0.003787222	2.297615336 Hartree
69	RY*(4)C2	887	0.002488358	4.017744131 Hartree
70	RY*(5)C2	888	0.001205168	1.277405642 Hartree
71	RY*(6)C2	889	0.000593691	3.060443958 Hartree
72	RY*(7)C2	890	0.000405102	3.295062900 Hartree
73	RY*(8)C2	891	0.000405251	2.380375231 Hartree
74	RY*(9)C2	892	0.000158999	1.765531540 Hartree
75	RY*(10)C2	893	0.000070771	2.244262031 Hartree
76	RY*(11)C2	894	0.000052162	3.042728840 Hartree
77	RY*(12)C2	895	0.000014779	2.607888745 Hartree
78	RY*(13)C2	896	0.000005764	2.663104499 Hartree
79	RY*(14)C2	897	0.000004063	2.948396623 Hartree
80	RY*(15)C2	898	0.000003635	3.065825642 Hartree
81	RY*(16)C2	899	0.000003809	2.635033133 Hartree
82	RY*(17)C2	900	0.000012161	2.199138294 Hartree
83	RY*(18)C2	901	0.000002372	2.865649081 Hartree
84	RY*(19)C2	902	0.000001218	3.666944840 Hartree
85	RY*(20)C2	903	0.000001290	3.485387397 Hartree
86	RY*(21)C2	904	0.000000445	3.975208991 Hartree
87	RY*(22)C2	905	0.000001136	4.187492851 Hartree
88	RY*(23)C2	906	0.000003687	4.038906849 Hartree
89	RY*(24)C2	907	0.000001778	3.850338836 Hartree
90	RY*(25)C2	908	0.000001261	4.339938391 Hartree
91	RY*(1)O3	909	0.003740373	1.141812474 Hartree
92	RY*(2)O3	910	0.002972227	1.040481276 Hartree
93	RY*(3)O3	911	0.000833362	2.886516719 Hartree
94	RY*(4)O3	912	0.000354010	2.851370569 Hartree
95	RY*(5)O3	913	0.000199621	3.930711368 Hartree
96	RY*(6)O3	914	0.000130411	3.808660518 Hartree
97	RY*(7)O3	915	0.000109942	3.905952817 Hartree
98	RY*(8)O3	916	0.000076288	4.519502130 Hartree
99	RY*(9)O3	917	0.000047415	4.178098052 Hartree
100	RY*(10)O3	918	0.000022064	4.635617038 Hartree
101	RY*(11)O3	919	0.000006249	7.645691233 Hartree
102	RY*(12)O3	920	0.000003613	5.510963707 Hartree
103	RY*(13)O3	921	0.000003554	3.962610095 Hartree
104	RY*(14)O3	922	0.000002645	6.490231878 Hartree
105	RY*(15)O3	923	0.000005658	3.905424314 Hartree
106	RY*(16)O3	924	0.000005351	6.564232626 Hartree
107	RY*(17)O3	925	0.000006960	5.258928689 Hartree
108	RY*(18)O3	926	0.000001334	5.745325019 Hartree
109	RY*(19)O3	927	0.000001206	5.355530954 Hartree
110	RY*(20)O3	928	0.000002306	5.619652511 Hartree
111	RY*(21)O3	929	0.000000238	5.222423139 Hartree
112	RY*(22)O3	930	0.000001493	5.476567557 Hartree
113	RY*(23)O3	931	0.000003100	5.386532250 Hartree
114	RY*(24)O3	932	0.000007120	5.709487939 Hartree
115	RY*(25)O3	933	0.000005339	5.680995613 Hartree
116	RY*(1)C4	934	0.005653954	1.747550129 Hartree
117	RY*(2)C4	935	0.004234186	1.393125161 Hartree
118	RY*(3)C4	936	0.002639440	1.932712673 Hartree
119	RY*(4)C4	937	0.002006872	2.311914657 Hartree
120	RY*(5)C4	938	0.001240577	2.877311843 Hartree
121	RY*(6)C4	939	0.001031453	1.641373439 Hartree
122	RY*(7)C4	940	0.000811187	2.059119878 Hartree
123	RY*(8)C4	941	0.000438620	3.244389636 Hartree
124	RY*(9)C4	942	0.000329866	2.472792499 Hartree
125	RY*(10)C4	943	0.000203991	3.143433341 Hartree
126	RY*(11)C4	944	0.000121644	3.306098855 Hartree
127	RY*(12)C4	945	0.000072145	3.552338817 Hartree
128	RY*(13)C4	946	0.000074839	2.537839736 Hartree
129	RY*(14)C4	947	0.000040931	2.542640166 Hartree
130	RY*(15)C4	948	0.000016543	3.054568582 Hartree
131	RY*(16)C4	949	0.000018560	3.043425078 Hartree
132	RY*(17)C4	950	0.000026050	2.473615372 Hartree
133	RY*(18)C4	951	0.000009973	3.857883787 Hartree
134	RY*(19)C4	952	0.000001685	3.376527580 Hartree
135	RY*(20)C4	953	0.000001943	3.504108568 Hartree
136	RY*(21)C4	954	0.000003376	3.439658841 Hartree
137	RY*(22)C4	955	0.000003933	3.376696115 Hartree
138	RY*(23)C4	956	0.000002156	3.769956292 Hartree
139	RY*(24)C4	957	0.000002323	4.275595244 Hartree
140	RY*(25)C4	958	0.000009734	3.849607748 Hartree
141	RY*(1)C5	959	0.004871310	1.825946930 Hartree
142	RY*(2)C5	960	0.001923445	2.041337971 Hartree
143	RY*(3)C5	961	0.001129118	1.178830029 Hartree
144	RY*(4)C5	962	0.001079449	2.458134062 Hartree
145	RY*(5)C5	963	0.000590997	2.613631941 Hartree
146	RY*(6)C5	964	0.000413276	2.874233144 Hartree
147	RY*(7)C5	965	0.000336002	2.089652362 Hartree
148	RY*(8)C5	966	0.000146452	2.599198785 Hartree
149	RY*(9)C5	967	0.000086935	3.035693186 Hartree
150	RY*(10)C5	968	0.000085327	2.309031190 Hartree
151	RY*(11)C5	969	0.000065072	1.574761228 Hartree
152	RY*(12)C5	970	0.000023748	1.840904384 Hartree
153	RY*(13)C5	971	0.000025477	3.125007601 Hartree
154	RY*(14)C5	972	0.000001363	3.450023861 Hartree
155	RY*(15)C5	973	0.000004295	2.279728328 Hartree
156	RY*(16)C5	974	0.000007430	3.910173225 Hartree
157	RY*(17)C5	975	0.000009731	3.142531581 Hartree
158	RY*(18)C5	976	0.000006663	3.816613912 Hartree
159	RY*(19)C5	977	0.000001447	3.356849077 Hartree
160	RY*(20)C5	978	0.000001767	3.504852138 Hartree
161	RY*(21)C5	979	0.000003481	3.325018628 Hartree
162	RY*(22)C5	980	0.000001896	3.465497812 Hartree
163	RY*(23)C5	981	0.000001461	3.597391294 Hartree
164	RY*(24)C5	982	0.000005445	4.493871781 Hartree
165	RY*(25)C5	983	0.000006588	4.224715656 Hartree
166	RY*(1)C6	984	0.004872414	1.839769109 Hartree
167	RY*(2)C6	985	0.001835305	2.187585417 Hartree
168	RY*(3)C6	986	0.001332936	0.687311607 Hartree
169	RY*(4)C6	987	0.001005903	2.752031346 Hartree
170	RY*(5)C6	988	0.000555050	2.422494412 Hartree
171	RY*(6)C6	989	0.000310055	1.969847953 Hartree
172	RY*(7)C6	990	0.000310667	2.643262982 Hartree
173	RY*(8)C6	991	0.000191394	2.283972373 Hartree
174	RY*(9)C6	992	0.000100478	2.777955122 Hartree
175	RY*(10)C6	993	0.000107595	2.276224481 Hartree
176	RY*(11)C6	994	0.000060117	3.128730897 Hartree
177	RY*(12)C6	995	0.000042794	2.680447701 Hartree
178	RY*(13)C6	996	0.000019957	4.177529957 Hartree
179	RY*(14)C6	997	0.000001116	3.362837882 Hartree
180	RY*(15)C6	998	0.000007568	3.054687514 Hartree
181	RY*(16)C6	999	0.000003655	3.725413820 Hartree
182	RY*(17)C6	1000	0.000001433	2.202149840 Hartree
183	RY*(18)C6	1001	0.000002818	4.347872932 Hartree
184	RY*(19)C6	1002	0.000000600	3.337754696 Hartree
185	RY*(20)C6	1003	0.000001852	3.613265159 Hartree
186	RY*(21)C6	1004	0.000001236	3.433379159 Hartree
187	RY*(22)C6	1005	0.000001544	3.531421246 Hartree
188	RY*(23)C6	1006	0.000000587	3.534185691 Hartree
189	RY*(24)C6	1007	0.000001468	4.655344639 Hartree
190	RY*(25)C6	1008	0.000008962	1.650017144 Hartree
191	RY*(1)C7	1009	0.004679091	1.873702149 Hartree
192	RY*(2)C7	1010	0.003296298	1.724309335 Hartree
193	RY*(3)C7	1011	0.002127932	1.814871704 Hartree
194	RY*(4)C7	1012	0.001306892	2.754519800 Hartree
195	RY*(5)C7	1013	0.001252033	2.076126449 Hartree
196	RY*(6)C7	1014	0.000972240	2.124032202 Hartree
197	RY*(7)C7	1015	0.000536393	1.464501286 Hartree
198	RY*(8)C7	1016	0.000389638	3.224429971 Hartree
199	RY*(9)C7	1017	0.000172750	2.823208158 Hartree
200	RY*(10)C7	1018	0.000134293	2.884778557 Hartree
201	RY*(11)C7	1019	0.000065041	3.876923226 Hartree
202	RY*(12)C7	1020	0.000046559	3.423498386 Hartree
203	RY*(13)C7	1021	0.000023886	3.329672950 Hartree
204	RY*(14)C7	1022	0.000018593	3.716723010 Hartree
205	RY*(15)C7	1023	0.000001589	2.347468708 Hartree
206	RY*(16)C7	1024	0.000010592	3.306857671 Hartree
207	RY*(17)C7	1025	0.000002157	1.430008713 Hartree
208	RY*(18)C7	1026	0.000002215	4.009527145 Hartree
209	RY*(19)C7	1027	0.000001262	3.334867931 Hartree
210	RY*(20)C7	1028	0.000001398	3.386019077 Hartree
211	RY*(21)C7	1029	0.000003146	3.473028524 Hartree
212	RY*(22)C7	1030	0.000000961	3.621947205 Hartree
213	RY*(23)C7	1031	0.000000192	3.631239680 Hartree
214	RY*(24)C7	1032	0.000001910	4.725304213 Hartree
215	RY*(25)C7	1033	0.000002570	2.228242037 Hartree
216	RY*(1)C8	1034	0.004719249	1.887393301 Hartree
217	RY*(2)C8	1035	0.001934540	2.166444399 Hartree
218	RY*(3)C8	1036	0.001264380	0.700264533 Hartree
219	RY*(4)C8	1037	0.001062397	2.823572834 Hartree
220	RY*(5)C8	1038	0.000598356	2.346084420 Hartree
221	RY*(6)C8	1039	0.000330399	1.984489928 Hartree
222	RY*(7)C8	1040	0.000293660	2.606155539 Hartree
223	RY*(8)C8	1041	0.000187037	1.970589400 Hartree
224	RY*(9)C8	1042	0.000124640	3.272648355 Hartree
225	RY*(10)C8	1043	0.000130862	2.339859823 Hartree
226	RY*(11)C8	1044	0.000063625	2.865188591 Hartree
227	RY*(12)C8	1045	0.000043395	3.074354644 Hartree
228	RY*(13)C8	1046	0.000024342	3.626429315 Hartree
229	RY*(14)C8	1047	0.000002487	3.327213868 Hartree
230	RY*(15)C8	1048	0.000010294	1.718814571 Hartree
231	RY*(16)C8	1049	0.000006332	3.749097784 Hartree
232	RY*(17)C8	1050	0.000005353	2.759324935 Hartree
233	RY*(18)C8	1051	0.000003519	3.962502322 Hartree
234	RY*(19)C8	1052	0.000001927	3.341455614 Hartree
235	RY*(20)C8	1053	0.000001855	3.501960894 Hartree
236	RY*(21)C8	1054	0.000002774	3.344283001 Hartree
237	RY*(22)C8	1055	0.000001464	3.471065011 Hartree
238	RY*(23)C8	1056	0.000001234	3.607773502 Hartree
239	RY*(24)C8	1057	0.000002126	5.100471773 Hartree
240	RY*(25)C8	1058	0.000003058	2.407020310 Hartree
241	RY*(1)C9	1059	0.004077569	1.735565031 Hartree
242	RY*(2)C9	1060	0.002210128	2.106280175 Hartree
243	RY*(3)C9	1061	0.001238519	2.883973066 Hartree
244	RY*(4)C9	1062	0.001154860	0.930689654 Hartree
245	RY*(5)C9	1063	0.000403495	3.048290042 Hartree
246	RY*(6)C9	1064	0.000366731	1.909853565 Hartree
247	RY*(7)C9	1065	0.000286513	2.701231258 Hartree
248	RY*(8)C9	1066	0.000128966	2.087886318 Hartree
249	RY*(9)C9	1067	0.000127314	3.372519609 Hartree
250	RY*(10)C9	1068	0.000098034	2.547355077 Hartree
251	RY*(11)C9	1069	0.000070317	1.700786872 Hartree
252	RY*(12)C9	1070	0.000038751	3.625455991 Hartree
253	RY*(13)C9	1071	0.000044781	2.895927713 Hartree
254	RY*(14)C9	1072	0.000011100	2.698929680 Hartree
255	RY*(15)C9	1073	0.000008604	3.346635741 Hartree
256	RY*(16)C9	1074	0.000003268	2.476845352 Hartree
257	RY*(17)C9	1075	0.000008379	2.071440595 Hartree
258	RY*(18)C9	1076	0.000004000	4.086187666 Hartree
259	RY*(19)C9	1077	0.000002301	3.328829213 Hartree
260	RY*(20)C9	1078	0.000001918	3.518920919 Hartree
261	RY*(21)C9	1079	0.000002011	3.454516313 Hartree
262	RY*(22)C9	1080	0.000003945	3.578600609 Hartree
263	RY*(23)C9	1081	0.000005258	3.606191528 Hartree
264	RY*(24)C9	1082	0.000003166	5.114398438 Hartree
265	RY*(25)C9	1083	0.000011354	3.788459898 Hartree
266	RY*(1)H10	1084	0.000783814	1.214009388 Hartree
267	RY*(2)H10	1085	0.000193021	2.648488069 Hartree
268	RY*(3)H10	1086	0.000159741	1.986418571 Hartree
269	RY*(4)H10	1087	0.000114749	2.265708794 Hartree
270	RY*(5)H10	1088	0.000056505	3.275771385 Hartree
271	RY*(6)H10	1089	0.000040305	4.466624760 Hartree
272	RY*(7)H10	1090	0.000022704	5.212440633 Hartree
273	RY*(8)H10	1091	0.000005146	4.153786384 Hartree
274	RY*(9)H10	1092	0.000005461	3.852368752 Hartree
275	RY*(10)H10	1093	0.000006176	3.848108229 Hartree
276	RY*(11)H10	1094	0.000006924	3.757823944 Hartree
277	RY*(12)H10	1095	0.000003785	4.120960446 Hartree
278	RY*(13)H10	1096	0.000003103	3.495999100 Hartree
279	RY*(1)H11	1097	0.001418135	0.735744462 Hartree
280	RY*(2)H11	1098	0.000257408	2.672166301 Hartree
281	RY*(3)H11	1099	0.000212373	1.811887401 Hartree
282	RY*(4)H11	1100	0.000094780	2.189993342 Hartree
283	RY*(5)H11	1101	0.000054231	3.381974379 Hartree
284	RY*(6)H11	1102	0.000054895	4.178527328 Hartree
285	RY*(7)H11	1103	0.000004293	4.112481291 Hartree
286	RY*(8)H11	1104	0.000012483	5.309840176 Hartree
287	RY*(9)H11	1105	0.000007834	3.961953366 Hartree
288	RY*(10)H11	1106	0.000008996	3.656242786 Hartree
289	RY*(11)H11	1107	0.000005085	4.040926682 Hartree
290	RY*(12)H11	1108	0.000000559	3.639988876 Hartree
291	RY*(13)H11	1109	0.000009385	4.091776274 Hartree
292	RY*(1)N12	1110	0.002736034	0.774181234 Hartree
293	RY*(2)N12	1111	0.001467301	1.218633301 Hartree
294	RY*(3)N12	1112	0.000281657	2.847354499 Hartree
295	RY*(4)N12	1113	0.000210650	2.698249875 Hartree
296	RY*(5)N12	1114	0.000117613	1.252794040 Hartree
297	RY*(6)N12	1115	0.000091321	1.809656764 Hartree
298	RY*(7)N12	1116	0.000084534	2.417523721 Hartree
299	RY*(8)N12	1117	0.000034047	3.712242880 Hartree
300	RY*(9)N12	1118	0.000002756	1.513990102 Hartree
301	RY*(10)N12	1119	0.000001868	4.946099904 Hartree
302	RY*(11)N12	1120	0.000007637	1.689208819 Hartree
303	RY*(12)N12	1121	0.000000466	4.633462093 Hartree
304	RY*(13)N12	1122	0.000010445	3.997316941 Hartree
305	RY*(14)N12	1123	0.000000089	4.926684740 Hartree
306	RY*(15)N12	1124	0.000001824	7.518198438 Hartree
307	RY*(16)N12	1125	0.000001656	4.936470869 Hartree
308	RY*(17)N12	1126	0.000003649	3.430155296 Hartree
309	RY*(18)N12	1127	0.000002213	4.822223919 Hartree
310	RY*(19)N12	1128	0.000000327	4.482351731 Hartree
311	RY*(20)N12	1129	0.000000846	4.603791461 Hartree
312	RY*(21)N12	1130	0.000000082	4.587284728 Hartree
313	RY*(22)N12	1131	0.000000881	4.668899523 Hartree
314	RY*(23)N12	1132	0.000000827	4.757421874 Hartree
315	RY*(24)N12	1133	0.000002866	4.811887633 Hartree
316	RY*(25)N12	1134	0.000005431	4.954372468 Hartree
317	RY*(1)H13	1135	0.000803064	1.349740663 Hartree
318	RY*(2)H13	1136	0.000722855	1.549627414 Hartree
319	RY*(3)H13	1137	0.000265625	2.012657062 Hartree
320	RY*(4)H13	1138	0.000128474	1.903196442 Hartree
321	RY*(5)H13	1139	0.000065780	3.615574605 Hartree
322	RY*(6)H13	1140	0.000003265	3.921549120 Hartree
323	RY*(7)H13	1141	0.000006749	4.464807923 Hartree
324	RY*(8)H13	1142	0.000004952	3.425038496 Hartree
325	RY*(9)H13	1143	0.000002830	4.263290670 Hartree
326	RY*(10)H13	1144	0.000004853	3.848154478 Hartree
327	RY*(11)H13	1145	0.000003865	4.125360010 Hartree
328	RY*(12)H13	1146	0.000005831	4.398018924 Hartree
329	RY*(13)H13	1147	0.000004303	3.792146865 Hartree
330	RY*(1)H14	1148	0.000785463	1.901704063 Hartree
331	RY*(2)H14	1149	0.000660956	1.124923357 Hartree
332	RY*(3)H14	1150	0.000265876	1.979219859 Hartree
333	RY*(4)H14	1151	0.000116907	2.247586066 Hartree
334	RY*(5)H14	1152	0.000040031	3.259641908 Hartree
335	RY*(6)H14	1153	0.000003992	3.835605854 Hartree
336	RY*(7)H14	1154	0.000005431	4.538785455 Hartree
337	RY*(8)H14	1155	0.000004379	3.486814502 Hartree
338	RY*(9)H14	1156	0.000008321	4.168301363 Hartree
339	RY*(10)H14	1157	0.000005446	3.904926358 Hartree
340	RY*(11)H14	1158	0.000001582	4.176563998 Hartree
341	RY*(12)H14	1159	0.000005828	4.113214127 Hartree
342	RY*(13)H14	1160	0.000008121	3.925965591 Hartree
343	RY*(1)H15	1161	0.000928400	1.166073062 Hartree
344	RY*(2)H15	1162	0.000277194	2.948145835 Hartree
345	RY*(3)H15	1163	0.000214163	1.811839118 Hartree
346	RY*(4)H15	1164	0.000095759	2.178636156 Hartree
347	RY*(5)H15	1165	0.000057217	4.481197366 Hartree
348	RY*(6)H15	1166	0.000033438	3.137241950 Hartree
349	RY*(7)H15	1167	0.000012573	3.936814065 Hartree
350	RY*(8)H15	1168	0.000007672	4.610376158 Hartree
351	RY*(9)H15	1169	0.000005601	4.458523131 Hartree
352	RY*(10)H15	1170	0.000008230	3.824459219 Hartree
353	RY*(11)H15	1171	0.000006077	3.973517382 Hartree
354	RY*(12)H15	1172	0.000001644	3.789869339 Hartree
355	RY*(13)H15	1173	0.000000960	3.616640652 Hartree
356	RY*(1)H16	1174	0.000835542	1.130874919 Hartree
357	RY*(2)H16	1175	0.000262711	2.874543478 Hartree
358	RY*(3)H16	1176	0.000171175	1.939453699 Hartree
359	RY*(4)H16	1177	0.000107810	2.119127354 Hartree
360	RY*(5)H16	1178	0.000055301	4.455802908 Hartree
361	RY*(6)H16	1179	0.000040112	3.069048802 Hartree
362	RY*(7)H16	1180	0.000014842	4.251149851 Hartree
363	RY*(8)H16	1181	0.000002267	4.099353047 Hartree
364	RY*(9)H16	1182	0.000009001	4.593014883 Hartree
365	RY*(10)H16	1183	0.000007535	3.624122980 Hartree
366	RY*(11)H16	1184	0.000005833	3.916939387 Hartree
367	RY*(12)H16	1185	0.000007187	4.176336092 Hartree
368	RY*(13)H16	1186	0.000001085	3.552553027 Hartree
369	RY*(1)O17	1187	0.001935028	1.609468874 Hartree
370	RY*(2)O17	1188	0.001039437	1.499266412 Hartree
371	RY*(3)O17	1189	0.000364170	2.440527474 Hartree
372	RY*(4)O17	1190	0.000256375	3.034320389 Hartree
373	RY*(5)O17	1191	0.000133523	2.134999910 Hartree
374	RY*(6)O17	1192	0.000109624	2.151536686 Hartree
375	RY*(7)O17	1193	0.000076773	5.105296233 Hartree
376	RY*(8)O17	1194	0.000035729	3.551182307 Hartree
377	RY*(9)O17	1195	0.000003894	5.147704587 Hartree
378	RY*(10)O17	1196	0.000000856	6.136875316 Hartree
379	RY*(11)O17	1197	0.000005770	3.776847590 Hartree
380	RY*(12)O17	1198	0.000000392	6.105378951 Hartree
381	RY*(13)O17	1199	0.000006846	2.385331384 Hartree
382	RY*(14)O17	1200	0.000000735	6.464134008 Hartree
383	RY*(15)O17	1201	0.000000881	4.290860554 Hartree
384	RY*(16)O17	1202	0.000000462	6.213261795 Hartree
385	RY*(17)O17	1203	0.000001809	1.612156604 Hartree
386	RY*(18)O17	1204	0.000000264	6.168483334 Hartree
387	RY*(19)O17	1205	0.000000924	5.503423152 Hartree
388	RY*(20)O17	1206	0.000000914	5.304458360 Hartree
389	RY*(21)O17	1207	0.000000294	5.634734052 Hartree
390	RY*(22)O17	1208	0.000000642	5.552769046 Hartree
391	RY*(23)O17	1209	0.000001149	5.546151525 Hartree
392	RY*(24)O17	1210	0.000000731	5.384565066 Hartree
393	RY*(25)O17	1211	0.000001101	5.469240313 Hartree
394	RY*(1)H18	1212	0.000604142	0.781009543 Hartree
395	RY*(2)H18	1213	0.000185467	1.552975202 Hartree
396	RY*(3)H18	1214	0.000145152	2.593482512 Hartree
397	RY*(4)H18	1215	0.000103121	2.573371503 Hartree
398	RY*(5)H18	1216	0.000053763	3.519716554 Hartree
399	RY*(6)H18	1217	0.000024932	3.077785317 Hartree
400	RY*(7)H18	1218	0.000013876	3.613188320 Hartree
401	RY*(8)H18	1219	0.000002587	4.087638129 Hartree
402	RY*(9)H18	1220	0.000001830	3.908904106 Hartree
403	RY*(10)H18	1221	0.000002172	3.526559019 Hartree
404	RY*(11)H18	1222	0.000000690	4.056410017 Hartree
405	RY*(12)H18	1223	0.000000601	4.295292033 Hartree
406	RY*(13)H18	1224	0.000001589	3.504562980 Hartree
407	RY*(1)H19	1225	0.000636383	0.668838790 Hartree
408	RY*(2)H19	1226	0.000210290	1.533771852 Hartree
409	RY*(3)H19	1227	0.000142261	2.747594617 Hartree
410	RY*(4)H19	1228	0.000104774	2.726404282 Hartree
411	RY*(5)H19	1229	0.000059035	3.740583784 Hartree
412	RY*(6)H19	1230	0.000028700	2.596917549 Hartree
413	RY*(7)H19	1231	0.000014687	3.488903197 Hartree
414	RY*(8)H19	1232	0.000000770	4.047596489 Hartree
415	RY*(9)H19	1233	0.000002527	3.321412339 Hartree
416	RY*(10)H19	1234	0.000001591	4.097493901 Hartree
417	RY*(11)H19	1235	0.000001920	4.233356764 Hartree
418	RY*(12)H19	1236	0.000001880	3.278098419 Hartree
419	RY*(13)H19	1237	0.000000464	4.604421161 Hartree
420	RY*(1)H20	1238	0.000719302	0.828530734 Hartree
421	RY*(2)H20	1239	0.000224399	1.684472699 Hartree
422	RY*(3)H20	1240	0.000135029	3.815716891 Hartree
423	RY*(4)H20	1241	0.000099610	2.861588814 Hartree
424	RY*(5)H20	1242	0.000067048	2.965258816 Hartree
425	RY*(6)H20	1243	0.000024794	3.774903573 Hartree
426	RY*(7)H20	1244	0.000001246	4.040989673 Hartree
427	RY*(8)H20	1245	0.000006974	1.850498051 Hartree
428	RY*(9)H20	1246	0.000001034	3.739439567 Hartree
429	RY*(10)H20	1247	0.000000578	3.816827504 Hartree
430	RY*(11)H20	1248	0.000002347	4.105959449 Hartree
431	RY*(12)H20	1249	0.000002052	3.951617891 Hartree
432	RY*(13)H20	1250	0.000005281	3.704248455 Hartree
433	BD*(1)C1-C2		0.057392736	0.412292068 Hartree
434	BD*(1)C1-H18		0.004591485	0.430003527 Hartree
435	BD*(1)C1-H19		0.004505327	0.433472082 Hartree
436	BD*(1)C1-H20		0.003197457	0.448012739 Hartree
437	BD*(1)C2-O3		0.110744856	0.419660603 Hartree
438	BD*(1)C2-O17		0.020358220	0.703669500 Hartree
439	BD*(2)C2-O17		0.188115258	0.059007751 Hartree
440	BD*(1)O3-C4		0.039346518	0.392447774 Hartree
441	BD*(1)C4-C5		0.024283076	0.613362544 Hartree
442	BD*(2)C4-C5		0.383312145	0.059818522 Hartree
443	BD*(1)C4-C9		0.028504038	0.611165547 Hartree
444	BD*(1)C5-C6		0.010050284	0.612095463 Hartree
445	BD*(1)C5-H16		0.012576872	0.489503066 Hartree
446	BD*(1)C6-C7		0.023605129	0.599214265 Hartree
447	BD*(2)C6-C7		0.395552002	0.058600962 Hartree
448	BD*(1)C6-H15		0.013663003	0.484101387 Hartree
449	BD*(1)C7-C8		0.023655486	0.597982130 Hartree
450	BD*(1)C7-N12		0.017635502	0.475833849 Hartree
451	BD*(1)C8-C9		0.010705408	0.614984277 Hartree
452	BD*(2)C8-C9		0.346269280	0.064144387 Hartree
453	BD*(1)C8-H11		0.013914482	0.485540784 Hartree
454	BD*(1)C9-H10		0.012419654	0.501465766 Hartree
455	BD*(1)N12-H13		0.007321224	0.486003837 Hartree
456	BD*(1)N12-H14		0.007310518	0.486218769 Hartree

Quote

A people that values its privileges above its principles soon loses both. -- Dwight D. Eisenhower

WebMO Job Summary

567513: 6. 4-aminophenyl acetate NBO (C8H9O2N), Natural Bond Orbitals - Gaussian

Calculated Quantities

Overview

Rotational Constants

Partial Charges

Molecular Orbitals

Natural Population Analysis

Natural Atomic Orbitals

Natural Hybrid Orbitals

Natural Bond Orbitals

Quote