WebMO Job Summary

Overview

Quantity	Value
Route	#N B3LYP/6-311+G(2d,p) SP GFINPUT POP=(FULL,NBO6Read) Geom=Connectivit
Stoichiometry	C₁₁H₁₂O₂
Symmetry	CS
Basis	6-311+G(2d,p)
RB3LYP Energy	-577.017758465 Hartree
Dipole Moment	1.0056 Debye
Server	batch (127023)
CPU time	2310.9 sec

Rotational Constants

Constant	Frequency (GHz)	Frequency (cm^-1)
a	2.8140518	0.09386666425
b	0.3138732	0.01046968300
c	0.2833736	0.00945232585

Partial Charges

Atom	Symbol	Charge
1	C	0.176464
2	O	-0.417713
3	C	0.460579
4	C	-0.267055
5	C	-0.393395
6	C	1.375969
7	C	-0.193998
8	C	-0.218273
9	C	-0.081981
10	C	-0.339946
11	C	-0.454510
12	H	0.166142
13	H	0.088371
14	H	0.087422
15	H	0.085015
16	H	0.086024
17	H	0.088173
18	H	0.099819
19	O	-0.481108
20	C	-0.498010
21	H	0.127078
22	H	0.123997
23	H	0.123997
24	H	0.128470
25	H	0.128470

Molecular Orbitals

Display Range		- / 422
Orbital	Symmetry	Occupancy	Energy	Actions
1	-	2	-19.16654 Hartree
2	-	2	-19.11016 Hartree
3	-	2	-10.30225 Hartree
4	-	2	-10.22859 Hartree
5	-	2	-10.20384 Hartree
6	-	2	-10.19343 Hartree
7	-	2	-10.18717 Hartree
8	-	2	-10.18407 Hartree
9	-	2	-10.18292 Hartree
10	-	2	-10.18028 Hartree
11	-	2	-10.17734 Hartree
12	-	2	-10.17271 Hartree
13	-	2	-10.17036 Hartree
14	-	2	-1.10643 Hartree
15	-	2	-1.01968 Hartree
16	-	2	-0.87074 Hartree
17	-	2	-0.81348 Hartree
18	-	2	-0.78305 Hartree
19	-	2	-0.75572 Hartree
20	-	2	-0.74733 Hartree
21	-	2	-0.67789 Hartree
22	-	2	-0.63136 Hartree
23	-	2	-0.61405 Hartree
24	-	2	-0.59349 Hartree
25	-	2	-0.55639 Hartree
26	-	2	-0.53410 Hartree
27	-	2	-0.50319 Hartree
28	-	2	-0.49701 Hartree
29	-	2	-0.48078 Hartree
30	-	2	-0.47106 Hartree
31	-	2	-0.45431 Hartree
32	-	2	-0.43347 Hartree
33	-	2	-0.43016 Hartree
34	-	2	-0.42179 Hartree
35	-	2	-0.41747 Hartree
36	-	2	-0.40013 Hartree
37	-	2	-0.38947 Hartree
38	-	2	-0.38637 Hartree
39	-	2	-0.36910 Hartree
40	-	2	-0.36103 Hartree
41	-	2	-0.35945 Hartree
42	-	2	-0.34640 Hartree
43	-	2	-0.31437 Hartree
44	-	2	-0.30850 Hartree
45	-	2	-0.27920 Hartree
46	-	2	-0.26311 Hartree
47	-	2	-0.24397 Hartree
48	-	0	-0.07598 Hartree
49	-	0	-0.01902 Hartree
50	-	0	-0.00021 Hartree
51	-	0	0.00088 Hartree
52	-	0	0.00769 Hartree
53	-	0	0.01391 Hartree
54	-	0	0.02682 Hartree
55	-	0	0.03138 Hartree
56	-	0	0.03954 Hartree
57	-	0	0.04142 Hartree
58	-	0	0.04622 Hartree
59	-	0	0.05520 Hartree
60	-	0	0.05574 Hartree
61	-	0	0.06506 Hartree
62	-	0	0.07128 Hartree
63	-	0	0.07217 Hartree
64	-	0	0.07584 Hartree
65	-	0	0.08097 Hartree
66	-	0	0.08249 Hartree
67	-	0	0.09385 Hartree
68	-	0	0.10046 Hartree
69	-	0	0.10052 Hartree
70	-	0	0.10226 Hartree
71	-	0	0.11663 Hartree
72	-	0	0.12357 Hartree
73	-	0	0.12374 Hartree
74	-	0	0.13294 Hartree
75	-	0	0.13842 Hartree
76	-	0	0.14096 Hartree
77	-	0	0.14202 Hartree
78	-	0	0.14853 Hartree
79	-	0	0.15704 Hartree
80	-	0	0.15885 Hartree
81	-	0	0.16365 Hartree
82	-	0	0.16697 Hartree
83	-	0	0.17146 Hartree
84	-	0	0.17773 Hartree
85	-	0	0.17887 Hartree
86	-	0	0.18669 Hartree
87	-	0	0.19318 Hartree
88	-	0	0.19634 Hartree
89	-	0	0.20007 Hartree
90	-	0	0.20549 Hartree
91	-	0	0.20604 Hartree
92	-	0	0.20903 Hartree
93	-	0	0.21301 Hartree
94	-	0	0.21452 Hartree
95	-	0	0.22100 Hartree
96	-	0	0.22763 Hartree
97	-	0	0.23027 Hartree
98	-	0	0.23329 Hartree
99	-	0	0.23769 Hartree
100	-	0	0.24106 Hartree
101	-	0	0.25200 Hartree
102	-	0	0.25649 Hartree
103	-	0	0.25974 Hartree
104	-	0	0.26793 Hartree
105	-	0	0.27579 Hartree
106	-	0	0.27958 Hartree
107	-	0	0.28391 Hartree
108	-	0	0.28700 Hartree
109	-	0	0.29464 Hartree
110	-	0	0.30223 Hartree
111	-	0	0.30684 Hartree
112	-	0	0.31272 Hartree
113	-	0	0.31381 Hartree
114	-	0	0.32371 Hartree
115	-	0	0.33048 Hartree
116	-	0	0.33431 Hartree
117	-	0	0.34843 Hartree
118	-	0	0.35711 Hartree
119	-	0	0.36504 Hartree
120	-	0	0.37291 Hartree
121	-	0	0.38552 Hartree
122	-	0	0.39600 Hartree
123	-	0	0.40161 Hartree
124	-	0	0.40879 Hartree
125	-	0	0.43687 Hartree
126	-	0	0.45642 Hartree
127	-	0	0.46510 Hartree
128	-	0	0.47397 Hartree
129	-	0	0.48315 Hartree
130	-	0	0.48661 Hartree
131	-	0	0.49435 Hartree
132	-	0	0.51133 Hartree
133	-	0	0.51191 Hartree
134	-	0	0.51446 Hartree
135	-	0	0.51924 Hartree
136	-	0	0.52543 Hartree
137	-	0	0.53152 Hartree
138	-	0	0.53173 Hartree
139	-	0	0.54466 Hartree
140	-	0	0.54521 Hartree
141	-	0	0.55125 Hartree
142	-	0	0.55226 Hartree
143	-	0	0.55957 Hartree
144	-	0	0.57250 Hartree
145	-	0	0.57400 Hartree
146	-	0	0.57631 Hartree
147	-	0	0.59670 Hartree
148	-	0	0.60052 Hartree
149	-	0	0.60756 Hartree
150	-	0	0.61464 Hartree
151	-	0	0.62334 Hartree
152	-	0	0.62383 Hartree
153	-	0	0.63106 Hartree
154	-	0	0.63987 Hartree
155	-	0	0.64015 Hartree
156	-	0	0.64967 Hartree
157	-	0	0.66360 Hartree
158	-	0	0.66625 Hartree
159	-	0	0.67507 Hartree
160	-	0	0.68015 Hartree
161	-	0	0.68953 Hartree
162	-	0	0.69214 Hartree
163	-	0	0.69928 Hartree
164	-	0	0.71127 Hartree
165	-	0	0.71609 Hartree
166	-	0	0.72268 Hartree
167	-	0	0.73197 Hartree
168	-	0	0.75050 Hartree
169	-	0	0.75102 Hartree
170	-	0	0.76856 Hartree
171	-	0	0.78333 Hartree
172	-	0	0.78970 Hartree
173	-	0	0.79216 Hartree
174	-	0	0.79702 Hartree
175	-	0	0.80251 Hartree
176	-	0	0.81369 Hartree
177	-	0	0.81939 Hartree
178	-	0	0.83211 Hartree
179	-	0	0.83286 Hartree
180	-	0	0.83580 Hartree
181	-	0	0.85004 Hartree
182	-	0	0.86605 Hartree
183	-	0	0.86664 Hartree
184	-	0	0.87661 Hartree
185	-	0	0.88224 Hartree
186	-	0	0.90138 Hartree
187	-	0	0.90365 Hartree
188	-	0	0.91589 Hartree
189	-	0	0.92761 Hartree
190	-	0	0.93042 Hartree
191	-	0	0.94593 Hartree
192	-	0	0.96312 Hartree
193	-	0	0.99479 Hartree
194	-	0	1.00505 Hartree
195	-	0	1.02235 Hartree
196	-	0	1.03934 Hartree
197	-	0	1.05374 Hartree
198	-	0	1.07280 Hartree
199	-	0	1.08280 Hartree
200	-	0	1.10554 Hartree
201	-	0	1.11418 Hartree
202	-	0	1.11459 Hartree
203	-	0	1.13316 Hartree
204	-	0	1.14528 Hartree
205	-	0	1.15324 Hartree
206	-	0	1.15488 Hartree
207	-	0	1.17348 Hartree
208	-	0	1.17495 Hartree
209	-	0	1.19074 Hartree
210	-	0	1.20277 Hartree
211	-	0	1.20947 Hartree
212	-	0	1.21960 Hartree
213	-	0	1.22420 Hartree
214	-	0	1.23841 Hartree
215	-	0	1.23851 Hartree
216	-	0	1.25194 Hartree
217	-	0	1.26239 Hartree
218	-	0	1.27764 Hartree
219	-	0	1.29827 Hartree
220	-	0	1.32427 Hartree
221	-	0	1.32466 Hartree
222	-	0	1.33788 Hartree
223	-	0	1.34253 Hartree
224	-	0	1.36447 Hartree
225	-	0	1.37548 Hartree
226	-	0	1.39847 Hartree
227	-	0	1.40891 Hartree
228	-	0	1.44171 Hartree
229	-	0	1.44226 Hartree
230	-	0	1.45097 Hartree
231	-	0	1.47477 Hartree
232	-	0	1.48493 Hartree
233	-	0	1.50589 Hartree
234	-	0	1.53500 Hartree
235	-	0	1.54521 Hartree
236	-	0	1.55624 Hartree
237	-	0	1.56800 Hartree
238	-	0	1.59123 Hartree
239	-	0	1.59243 Hartree
240	-	0	1.60070 Hartree
241	-	0	1.60713 Hartree
242	-	0	1.62920 Hartree
243	-	0	1.64514 Hartree
244	-	0	1.67443 Hartree
245	-	0	1.69347 Hartree
246	-	0	1.70625 Hartree
247	-	0	1.71521 Hartree
248	-	0	1.72776 Hartree
249	-	0	1.75823 Hartree
250	-	0	1.75891 Hartree
251	-	0	1.77660 Hartree
252	-	0	1.78711 Hartree
253	-	0	1.81762 Hartree
254	-	0	1.84137 Hartree
255	-	0	1.85611 Hartree
256	-	0	1.88791 Hartree
257	-	0	1.90145 Hartree
258	-	0	1.92183 Hartree
259	-	0	1.93847 Hartree
260	-	0	1.98437 Hartree
261	-	0	2.00199 Hartree
262	-	0	2.02093 Hartree
263	-	0	2.04684 Hartree
264	-	0	2.09631 Hartree
265	-	0	2.13285 Hartree
266	-	0	2.13506 Hartree
267	-	0	2.18201 Hartree
268	-	0	2.18700 Hartree
269	-	0	2.20250 Hartree
270	-	0	2.21368 Hartree
271	-	0	2.22744 Hartree
272	-	0	2.23889 Hartree
273	-	0	2.25734 Hartree
274	-	0	2.29924 Hartree
275	-	0	2.31066 Hartree
276	-	0	2.33821 Hartree
277	-	0	2.35466 Hartree
278	-	0	2.36948 Hartree
279	-	0	2.38539 Hartree
280	-	0	2.39527 Hartree
281	-	0	2.46412 Hartree
282	-	0	2.48663 Hartree
283	-	0	2.48994 Hartree
284	-	0	2.56578 Hartree
285	-	0	2.58293 Hartree
286	-	0	2.61483 Hartree
287	-	0	2.63690 Hartree
288	-	0	2.64596 Hartree
289	-	0	2.66231 Hartree
290	-	0	2.66823 Hartree
291	-	0	2.68835 Hartree
292	-	0	2.69939 Hartree
293	-	0	2.70978 Hartree
294	-	0	2.72220 Hartree
295	-	0	2.73095 Hartree
296	-	0	2.73393 Hartree
297	-	0	2.75246 Hartree
298	-	0	2.75552 Hartree
299	-	0	2.76676 Hartree
300	-	0	2.79933 Hartree
301	-	0	2.81011 Hartree
302	-	0	2.82512 Hartree
303	-	0	2.83705 Hartree
304	-	0	2.84317 Hartree
305	-	0	2.86281 Hartree
306	-	0	2.87077 Hartree
307	-	0	2.90249 Hartree
308	-	0	2.91769 Hartree
309	-	0	2.92690 Hartree
310	-	0	2.95660 Hartree
311	-	0	2.97015 Hartree
312	-	0	2.98323 Hartree
313	-	0	3.05982 Hartree
314	-	0	3.06939 Hartree
315	-	0	3.10063 Hartree
316	-	0	3.12714 Hartree
317	-	0	3.12730 Hartree
318	-	0	3.13644 Hartree
319	-	0	3.16227 Hartree
320	-	0	3.19195 Hartree
321	-	0	3.19901 Hartree
322	-	0	3.20437 Hartree
323	-	0	3.22808 Hartree
324	-	0	3.23907 Hartree
325	-	0	3.26444 Hartree
326	-	0	3.28230 Hartree
327	-	0	3.28933 Hartree
328	-	0	3.29493 Hartree
329	-	0	3.30739 Hartree
330	-	0	3.31346 Hartree
331	-	0	3.32868 Hartree
332	-	0	3.33869 Hartree
333	-	0	3.34973 Hartree
334	-	0	3.35788 Hartree
335	-	0	3.36932 Hartree
336	-	0	3.39136 Hartree
337	-	0	3.39504 Hartree
338	-	0	3.41078 Hartree
339	-	0	3.42756 Hartree
340	-	0	3.43020 Hartree
341	-	0	3.44590 Hartree
342	-	0	3.47373 Hartree
343	-	0	3.48619 Hartree
344	-	0	3.49678 Hartree
345	-	0	3.50719 Hartree
346	-	0	3.53320 Hartree
347	-	0	3.54396 Hartree
348	-	0	3.55707 Hartree
349	-	0	3.57042 Hartree
350	-	0	3.58210 Hartree
351	-	0	3.58912 Hartree
352	-	0	3.59236 Hartree
353	-	0	3.60139 Hartree
354	-	0	3.60527 Hartree
355	-	0	3.62393 Hartree
356	-	0	3.63086 Hartree
357	-	0	3.64114 Hartree
358	-	0	3.66506 Hartree
359	-	0	3.69167 Hartree
360	-	0	3.69189 Hartree
361	-	0	3.73380 Hartree
362	-	0	3.74139 Hartree
363	-	0	3.75204 Hartree
364	-	0	3.76344 Hartree
365	-	0	3.76369 Hartree
366	-	0	3.77085 Hartree
367	-	0	3.81282 Hartree
368	-	0	3.82873 Hartree
369	-	0	3.85999 Hartree
370	-	0	3.88053 Hartree
371	-	0	3.89121 Hartree
372	-	0	3.93536 Hartree
373	-	0	3.94948 Hartree
374	-	0	3.96271 Hartree
375	-	0	3.97389 Hartree
376	-	0	4.01680 Hartree
377	-	0	4.07149 Hartree
378	-	0	4.10277 Hartree
379	-	0	4.12019 Hartree
380	-	0	4.14442 Hartree
381	-	0	4.20287 Hartree
382	-	0	4.22723 Hartree
383	-	0	4.22731 Hartree
384	-	0	4.25023 Hartree
385	-	0	4.44225 Hartree
386	-	0	4.50398 Hartree
387	-	0	4.54074 Hartree
388	-	0	4.57959 Hartree
389	-	0	4.66218 Hartree
390	-	0	4.77177 Hartree
391	-	0	4.82206 Hartree
392	-	0	5.01056 Hartree
393	-	0	5.05238 Hartree
394	-	0	5.07310 Hartree
395	-	0	5.29485 Hartree
396	-	0	5.36450 Hartree
397	-	0	5.44664 Hartree
398	-	0	5.82316 Hartree
399	-	0	6.12908 Hartree
400	-	0	6.77769 Hartree
401	-	0	6.94696 Hartree
402	-	0	6.95026 Hartree
403	-	0	7.00480 Hartree
404	-	0	7.06762 Hartree
405	-	0	7.12371 Hartree
406	-	0	7.24764 Hartree
407	-	0	7.27189 Hartree
408	-	0	7.47482 Hartree
409	-	0	7.51409 Hartree
410	-	0	23.68514 Hartree
411	-	0	23.86693 Hartree
412	-	0	23.92791 Hartree
413	-	0	23.99483 Hartree
414	-	0	24.01859 Hartree
415	-	0	24.04682 Hartree
416	-	0	24.08397 Hartree
417	-	0	24.11671 Hartree
418	-	0	24.15070 Hartree
419	-	0	24.18124 Hartree
420	-	0	24.26680 Hartree
421	-	0	50.01649 Hartree
422	-	0	50.04237 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom	Symbol	Charge
1	C	-0.03085
2	O	-0.57068
3	C	0.78390
4	C	-0.29258
5	C	-0.10738
6	C	-0.10944
7	C	-0.16538
8	C	-0.21329
9	C	-0.18333
10	C	-0.20258
11	C	-0.16640
12	H	0.25154
13	H	0.20902
14	H	0.20725
15	H	0.20827
16	H	0.20294
17	H	0.19709
18	H	0.21497
19	O	-0.62703
20	C	-0.58790
21	H	0.20630
22	H	0.20353
23	H	0.20353
24	H	0.18425
25	H	0.18425

Natural Atomic Orbitals

Display Range		- / 423
Orbital	Description	Occupancy	Energy	Actions
1	C1 Cor(1s)	1.999986367	-10.228493552 Hartree
2	C1 Val(2s)	1.027062368	-0.183675499 Hartree
3	C1 Ryd(3s)	0.003647516	1.165236906 Hartree
4	C1 Ryd(4s)	0.000110178	10.354773056 Hartree
5	C1 Ryd(5s)	0.000016145	11.409805124 Hartree
6	C1 Val(2p)	0.716820677	-0.055416280 Hartree
7	C1 Ryd(3p)	0.001727944	0.887509035 Hartree
8	C1 Ryd(4p)	0.000440344	1.949242888 Hartree
9	C1 Ryd(5p)	0.000133073	2.541823764 Hartree
10	C1 Val(2p)	1.080447128	-0.090627536 Hartree
11	C1 Ryd(3p)	0.002256947	0.901028115 Hartree
12	C1 Ryd(4p)	0.000135641	1.386450581 Hartree
13	C1 Ryd(5p)	0.000074092	2.514482591 Hartree
14	C1 Val(2p)	1.190256312	-0.102075688 Hartree
15	C1 Ryd(3p)	0.001346822	0.849195270 Hartree
16	C1 Ryd(4p)	0.000095975	0.845370325 Hartree
17	C1 Ryd(5p)	0.000076234	2.431061445 Hartree
18	C1 Ryd(3d)	0.001003664	2.092620232 Hartree
19	C1 Ryd(4d)	0.000175292	3.177835733 Hartree
20	C1 Ryd(3d)	0.000693505	1.920729486 Hartree
21	C1 Ryd(4d)	0.000044884	2.671978955 Hartree
22	C1 Ryd(3d)	0.001416055	1.924095480 Hartree
23	C1 Ryd(4d)	0.000101826	3.167538838 Hartree
24	C1 Ryd(3d)	0.001127888	2.070524854 Hartree
25	C1 Ryd(4d)	0.000150408	3.143277247 Hartree
26	C1 Ryd(3d)	0.001425309	2.100194154 Hartree
27	C1 Ryd(4d)	0.000077988	3.086364461 Hartree
28	O2 Cor(1s)	1.999995477	-19.166483431 Hartree
29	O2 Val(2s)	1.631941049	-0.731861491 Hartree
30	O2 Ryd(3s)	0.001818492	2.381624696 Hartree
31	O2 Ryd(4s)	0.000232671	1.479909767 Hartree
32	O2 Ryd(5s)	0.000000142	48.793069956 Hartree
33	O2 Val(2p)	1.399487992	-0.301225142 Hartree
34	O2 Ryd(3p)	0.002901804	1.493516326 Hartree
35	O2 Ryd(4p)	0.000401304	1.620393585 Hartree
36	O2 Ryd(5p)	0.000038525	4.443503377 Hartree
37	O2 Val(2p)	1.724425394	-0.335024569 Hartree
38	O2 Ryd(3p)	0.003615437	0.717671884 Hartree
39	O2 Ryd(4p)	0.000374157	1.228695899 Hartree
40	O2 Ryd(5p)	0.000035437	5.065722607 Hartree
41	O2 Val(2p)	1.791424815	-0.325862637 Hartree
42	O2 Ryd(3p)	0.003199035	0.514605692 Hartree
43	O2 Ryd(4p)	0.000124764	1.067962825 Hartree
44	O2 Ryd(5p)	0.000021378	4.800122561 Hartree
45	O2 Ryd(3d)	0.003782522	2.367741756 Hartree
46	O2 Ryd(4d)	0.000048097	7.165979304 Hartree
47	O2 Ryd(3d)	0.000121094	1.818861345 Hartree
48	O2 Ryd(4d)	0.000035747	6.955954214 Hartree
49	O2 Ryd(3d)	0.002386853	1.764098511 Hartree
50	O2 Ryd(4d)	0.000008779	6.905247654 Hartree
51	O2 Ryd(3d)	0.002268063	2.173975491 Hartree
52	O2 Ryd(4d)	0.000058026	7.175628124 Hartree
53	O2 Ryd(3d)	0.001926923	1.931925189 Hartree
54	O2 Ryd(4d)	0.000005340	6.978172300 Hartree
55	C3 Cor(1s)	1.999985004	-10.302138190 Hartree
56	C3 Val(2s)	0.769967751	-0.076488280 Hartree
57	C3 Ryd(3s)	0.003097577	1.044695055 Hartree
58	C3 Ryd(4s)	0.000276128	8.097793925 Hartree
59	C3 Ryd(5s)	0.000012524	4.830543094 Hartree
60	C3 Val(2p)	0.892086813	-0.036936736 Hartree
61	C3 Ryd(3p)	0.005291897	1.185772547 Hartree
62	C3 Ryd(5p)	0.000405508	1.989574954 Hartree
63	C3 Ryd(4p)	0.000410118	2.910469977 Hartree
64	C3 Val(2p)	0.742669227	0.041844287 Hartree
65	C3 Ryd(3p)	0.017977288	1.192507507 Hartree
66	C3 Ryd(4p)	0.000237246	1.071259961 Hartree
67	C3 Ryd(5p)	0.000158884	2.820737845 Hartree
68	C3 Val(2p)	0.773143036	-0.126670430 Hartree
69	C3 Ryd(3p)	0.000693394	0.842561201 Hartree
70	C3 Ryd(4p)	0.000122199	0.296715811 Hartree
71	C3 Ryd(5p)	0.000027268	2.425355493 Hartree
72	C3 Ryd(3d)	0.003084867	2.939426404 Hartree
73	C3 Ryd(4d)	0.000313503	3.358469680 Hartree
74	C3 Ryd(3d)	0.000968754	2.410272491 Hartree
75	C3 Ryd(4d)	0.000143073	2.141230246 Hartree
76	C3 Ryd(3d)	0.002159178	2.511495970 Hartree
77	C3 Ryd(4d)	0.000077464	2.223548052 Hartree
78	C3 Ryd(3d)	0.001573691	2.845574858 Hartree
79	C3 Ryd(4d)	0.000454550	3.372176036 Hartree
80	C3 Ryd(3d)	0.000539293	2.883745309 Hartree
81	C3 Ryd(4d)	0.000226649	3.092865625 Hartree
82	C4 Cor(1s)	1.999985206	-10.187069769 Hartree
83	C4 Val(2s)	0.972951370	-0.127331068 Hartree
84	C4 Ryd(3s)	0.000918881	1.552112657 Hartree
85	C4 Ryd(4s)	0.000004388	19.475344103 Hartree
86	C4 Val(2p)	1.070579220	-0.029430828 Hartree
87	C4 Ryd(3p)	0.003197328	0.988063103 Hartree
88	C4 Ryd(4p)	0.000327625	3.982699231 Hartree
89	C4 Ryd(5p)	0.000157925	3.747576935 Hartree
90	C4 Val(2p)	1.164816548	-0.065711955 Hartree
91	C4 Ryd(3p)	0.005751807	1.014913453 Hartree
92	C4 Ryd(4p)	0.000129606	0.743053164 Hartree
93	C4 Ryd(5p)	0.000038108	3.559149747 Hartree
94	C4 Val(2p)	1.066081149	-0.126941284 Hartree
95	C4 Ryd(3p)	0.001875579	0.509302217 Hartree
96	C4 Ryd(4p)	0.000169288	0.438345209 Hartree
97	C4 Ryd(5p)	0.000021817	2.689992302 Hartree
98	C4 Ryd(3d)	0.001047340	2.589751398 Hartree
99	C4 Ryd(4d)	0.000334936	3.814242312 Hartree
100	C4 Ryd(3d)	0.000191970	1.247211847 Hartree
101	C4 Ryd(4d)	0.000112091	3.286955272 Hartree
102	C4 Ryd(3d)	0.000352352	1.228845976 Hartree
103	C4 Ryd(4d)	0.000035432	3.116598173 Hartree
104	C4 Ryd(3d)	0.001127787	2.559091424 Hartree
105	C4 Ryd(4d)	0.000479447	3.911736666 Hartree
106	C4 Ryd(3d)	0.001845733	1.870517820 Hartree
107	C4 Ryd(4d)	0.000050294	3.526611174 Hartree
108	C5 Cor(1s)	1.999985377	-10.203721189 Hartree
109	C5 Val(2s)	0.949025959	-0.105802769 Hartree
110	C5 Ryd(3s)	0.002287245	1.232622058 Hartree
111	C5 Ryd(4s)	0.000031594	17.165537162 Hartree
112	C5 Ryd(5s)	0.000011729	4.407269932 Hartree
113	C5 Val(2p)	1.132625668	-0.045366937 Hartree
114	C5 Ryd(3p)	0.006142578	1.032915517 Hartree
115	C5 Ryd(5p)	0.000118849	2.001104890 Hartree
116	C5 Ryd(4p)	0.000153326	3.570181242 Hartree
117	C5 Val(2p)	1.088263294	-0.033295018 Hartree
118	C5 Ryd(3p)	0.004506122	0.880501193 Hartree
119	C5 Ryd(4p)	0.000210458	2.879265560 Hartree
120	C5 Ryd(5p)	0.000071351	3.688801531 Hartree
121	C5 Val(2p)	0.918232156	-0.120722855 Hartree
122	C5 Ryd(3p)	0.000639785	0.538061303 Hartree
123	C5 Ryd(4p)	0.000129114	0.437391253 Hartree
124	C5 Ryd(5p)	0.000040589	2.695332219 Hartree
125	C5 Ryd(3d)	0.001035435	2.680681737 Hartree
126	C5 Ryd(4d)	0.000572934	3.898717535 Hartree
127	C5 Ryd(3d)	0.000488454	1.384297702 Hartree
128	C5 Ryd(4d)	0.000084962	3.045088785 Hartree
129	C5 Ryd(3d)	0.000405659	1.402304775 Hartree
130	C5 Ryd(4d)	0.000021997	3.059794883 Hartree
131	C5 Ryd(3d)	0.000676770	2.418790126 Hartree
132	C5 Ryd(4d)	0.000432005	3.752007141 Hartree
133	C5 Ryd(3d)	0.001146364	2.012542288 Hartree
134	C5 Ryd(4d)	0.000044910	3.474877760 Hartree
135	C6 Cor(1s)	1.999986543	-10.193323373 Hartree
136	C6 Val(2s)	0.888316567	-0.060163128 Hartree
137	C6 Ryd(3s)	0.000452274	2.437030504 Hartree
138	C6 Ryd(4s)	0.000200155	7.509677882 Hartree
139	C6 Ryd(5s)	0.000010663	4.796592493 Hartree
140	C6 Val(2p)	1.090131712	-0.032548749 Hartree
141	C6 Ryd(3p)	0.005916059	1.057233207 Hartree
142	C6 Ryd(4p)	0.000263916	1.976645693 Hartree
143	C6 Ryd(5p)	0.000099109	2.857535350 Hartree
144	C6 Val(2p)	1.086953074	-0.028180272 Hartree
145	C6 Ryd(3p)	0.004954788	1.146207117 Hartree
146	C6 Ryd(4p)	0.000520750	2.114547619 Hartree
147	C6 Ryd(5p)	0.000105691	3.149728365 Hartree
148	C6 Val(2p)	1.025208887	-0.109996271 Hartree
149	C6 Ryd(3p)	0.000885640	0.565076223 Hartree
150	C6 Ryd(4p)	0.000117226	0.974179778 Hartree
151	C6 Ryd(5p)	0.000102830	2.178252566 Hartree
152	C6 Ryd(4d)	0.000646964	2.711340277 Hartree
153	C6 Ryd(3d)	0.000859154	3.690008013 Hartree
154	C6 Ryd(3d)	0.000329454	1.212700415 Hartree
155	C6 Ryd(4d)	0.000135279	3.425716805 Hartree
156	C6 Ryd(3d)	0.000314560	1.227675644 Hartree
157	C6 Ryd(4d)	0.000135583	3.457046641 Hartree
158	C6 Ryd(3d)	0.000807936	2.749767987 Hartree
159	C6 Ryd(4d)	0.000798822	3.723078858 Hartree
160	C6 Ryd(3d)	0.001142751	2.155152672 Hartree
161	C6 Ryd(4d)	0.000047860	3.698793038 Hartree
162	C7 Cor(1s)	1.999986747	-10.183957582 Hartree
163	C7 Val(2s)	0.945142888	-0.090956208 Hartree
164	C7 Ryd(3s)	0.001046386	1.333278963 Hartree
165	C7 Ryd(4s)	0.000035157	18.619235517 Hartree
166	C7 Ryd(5s)	0.000012504	2.714529532 Hartree
167	C7 Val(2p)	1.081410548	-0.025619439 Hartree
168	C7 Ryd(3p)	0.003775984	0.860251227 Hartree
169	C7 Ryd(4p)	0.000326051	1.335217197 Hartree
170	C7 Ryd(5p)	0.000128112	3.608800712 Hartree
171	C7 Val(2p)	1.141346006	-0.043599870 Hartree
172	C7 Ryd(3p)	0.005462770	1.220900939 Hartree
173	C7 Ryd(4p)	0.000148604	0.637042984 Hartree
174	C7 Ryd(5p)	0.000095637	3.698747526 Hartree
175	C7 Val(2p)	0.979675258	-0.116285383 Hartree
176	C7 Ryd(3p)	0.001055894	0.543339519 Hartree
177	C7 Ryd(4p)	0.000401269	0.329008061 Hartree
178	C7 Ryd(5p)	0.000019841	2.717738751 Hartree
179	C7 Ryd(3d)	0.000916210	2.232896759 Hartree
180	C7 Ryd(4d)	0.000582663	3.928186452 Hartree
181	C7 Ryd(3d)	0.000411422	1.285572021 Hartree
182	C7 Ryd(4d)	0.000058382	3.190998553 Hartree
183	C7 Ryd(3d)	0.000343834	1.282767520 Hartree
184	C7 Ryd(4d)	0.000056276	3.122391712 Hartree
185	C7 Ryd(3d)	0.001064109	2.126678793 Hartree
186	C7 Ryd(4d)	0.000410178	3.813261912 Hartree
187	C7 Ryd(3d)	0.001433372	1.839513923 Hartree
188	C7 Ryd(4d)	0.000033314	3.515458251 Hartree
189	C8 Cor(1s)	1.999986857	-10.180242153 Hartree
190	C8 Val(2s)	0.951433750	-0.091711716 Hartree
191	C8 Ryd(3s)	0.000957180	1.434786007 Hartree
192	C8 Ryd(4s)	0.000022653	6.413984123 Hartree
193	C8 Ryd(5s)	0.000003483	19.072519915 Hartree
194	C8 Val(2p)	1.174668806	-0.051810447 Hartree
195	C8 Ryd(3p)	0.006564962	1.231723415 Hartree
196	C8 Ryd(4p)	0.000197415	0.379103783 Hartree
197	C8 Ryd(5p)	0.000045371	3.661739300 Hartree
198	C8 Val(2p)	1.065485422	-0.019777990 Hartree
199	C8 Ryd(3p)	0.003495324	0.791510567 Hartree
200	C8 Ryd(4p)	0.000206677	1.095650181 Hartree
201	C8 Ryd(5p)	0.000131648	3.345141534 Hartree
202	C8 Val(2p)	1.003506817	-0.113952917 Hartree
203	C8 Ryd(3p)	0.001133183	0.555224301 Hartree
204	C8 Ryd(4p)	0.000374143	0.303856816 Hartree
205	C8 Ryd(5p)	0.000017262	2.724799591 Hartree
206	C8 Ryd(3d)	0.001030603	2.179892921 Hartree
207	C8 Ryd(4d)	0.000310099	3.787384609 Hartree
208	C8 Ryd(3d)	0.000375272	1.350571874 Hartree
209	C8 Ryd(4d)	0.000023566	3.054921530 Hartree
210	C8 Ryd(3d)	0.000230957	1.319606567 Hartree
211	C8 Ryd(4d)	0.000117520	3.170046995 Hartree
212	C8 Ryd(3d)	0.000853653	2.276029148 Hartree
213	C8 Ryd(4d)	0.000732558	3.812291285 Hartree
214	C8 Ryd(3d)	0.001356229	1.881703915 Hartree
215	C8 Ryd(4d)	0.000029222	3.452297303 Hartree
216	C9 Cor(1s)	1.999987140	-10.182777678 Hartree
217	C9 Val(2s)	0.956357174	-0.095118245 Hartree
218	C9 Ryd(3s)	0.000855427	1.448815912 Hartree
219	C9 Ryd(4s)	0.000019611	5.579552197 Hartree
220	C9 Ryd(5s)	0.000003684	18.928509546 Hartree
221	C9 Val(2p)	1.086371942	-0.025184714 Hartree
222	C9 Ryd(3p)	0.004091288	0.857925553 Hartree
223	C9 Ryd(4p)	0.000239607	0.662877951 Hartree
224	C9 Ryd(5p)	0.000109260	3.472381040 Hartree
225	C9 Val(2p)	1.147111576	-0.043414890 Hartree
226	C9 Ryd(3p)	0.005812483	1.113746422 Hartree
227	C9 Ryd(4p)	0.000222664	0.387982078 Hartree
228	C9 Ryd(5p)	0.000066818	3.611958303 Hartree
229	C9 Val(2p)	0.975009697	-0.113488264 Hartree
230	C9 Ryd(3p)	0.001252360	0.552123143 Hartree
231	C9 Ryd(4p)	0.000352042	0.293178161 Hartree
232	C9 Ryd(5p)	0.000018695	2.715953851 Hartree
233	C9 Ryd(3d)	0.001006745	2.235444560 Hartree
234	C9 Ryd(4d)	0.000597370	3.798439254 Hartree
235	C9 Ryd(3d)	0.000280686	1.278758688 Hartree
236	C9 Ryd(4d)	0.000094542	3.180415825 Hartree
237	C9 Ryd(3d)	0.000373433	1.279787397 Hartree
238	C9 Ryd(4d)	0.000039285	3.109829771 Hartree
239	C9 Ryd(3d)	0.001085932	2.181501469 Hartree
240	C9 Ryd(4d)	0.000459307	3.785177304 Hartree
241	C9 Ryd(3d)	0.001484173	1.798706309 Hartree
242	C9 Ryd(4d)	0.000029767	3.450036679 Hartree
243	C10 Cor(1s)	1.999987057	-10.177236721 Hartree
244	C10 Val(2s)	0.953781132	-0.089443225 Hartree
245	C10 Ryd(3s)	0.000868752	1.357076791 Hartree
246	C10 Ryd(4s)	0.000020990	7.552995058 Hartree
247	C10 Ryd(5s)	0.000007793	13.537684842 Hartree
248	C10 Val(2p)	1.092997003	-0.023672747 Hartree
249	C10 Ryd(3p)	0.004317438	0.949801828 Hartree
250	C10 Ryd(4p)	0.000133585	0.795995656 Hartree
251	C10 Ryd(5p)	0.000102413	3.509107335 Hartree
252	C10 Val(2p)	1.142317836	-0.036533139 Hartree
253	C10 Ryd(3p)	0.005542948	1.079886237 Hartree
254	C10 Ryd(4p)	0.000239689	0.733040892 Hartree
255	C10 Ryd(5p)	0.000076878	3.613488519 Hartree
256	C10 Val(2p)	0.995471437	-0.110543299 Hartree
257	C10 Ryd(3p)	0.001061269	0.561558158 Hartree
258	C10 Ryd(4p)	0.000318286	0.310614868 Hartree
259	C10 Ryd(5p)	0.000017368	2.714988990 Hartree
260	C10 Ryd(3d)	0.000961667	2.247164379 Hartree
261	C10 Ryd(4d)	0.000685035	3.838613705 Hartree
262	C10 Ryd(3d)	0.000276814	1.283119747 Hartree
263	C10 Ryd(4d)	0.000079868	3.192753551 Hartree
264	C10 Ryd(3d)	0.000398581	1.283954790 Hartree
265	C10 Ryd(4d)	0.000035642	3.142193465 Hartree
266	C10 Ryd(3d)	0.001054978	2.222083617 Hartree
267	C10 Ryd(4d)	0.000386770	3.799303732 Hartree
268	C10 Ryd(3d)	0.001415176	1.845621404 Hartree
269	C10 Ryd(4d)	0.000025011	3.491210677 Hartree
270	C11 Cor(1s)	1.999986230	-10.172628702 Hartree
271	C11 Val(2s)	0.953559559	-0.079162576 Hartree
272	C11 Ryd(3s)	0.001120309	1.359934243 Hartree
273	C11 Ryd(4s)	0.000102507	15.688627924 Hartree
274	C11 Ryd(5s)	0.000014403	3.159823148 Hartree
275	C11 Val(2p)	1.206836092	-0.040461369 Hartree
276	C11 Ryd(3p)	0.006172563	1.214493806 Hartree
277	C11 Ryd(4p)	0.000200363	1.038344568 Hartree
278	C11 Ryd(5p)	0.000065728	3.349349602 Hartree
279	C11 Val(2p)	1.051048404	-0.004979042 Hartree
280	C11 Ryd(3p)	0.002883632	0.911890625 Hartree
281	C11 Ryd(4p)	0.000235337	1.921841398 Hartree
282	C11 Ryd(5p)	0.000139048	3.346588686 Hartree
283	C11 Val(2p)	0.937199446	-0.102576066 Hartree
284	C11 Ryd(3p)	0.001037790	0.559317727 Hartree
285	C11 Ryd(4p)	0.000378161	0.502090128 Hartree
286	C11 Ryd(5p)	0.000037573	2.631293700 Hartree
287	C11 Ryd(3d)	0.001237073	2.293440791 Hartree
288	C11 Ryd(4d)	0.000313201	3.811390157 Hartree
289	C11 Ryd(3d)	0.000494960	1.328009927 Hartree
290	C11 Ryd(4d)	0.000016569	3.108000240 Hartree
291	C11 Ryd(3d)	0.000264435	1.298071761 Hartree
292	C11 Ryd(4d)	0.000109126	3.221886909 Hartree
293	C11 Ryd(3d)	0.000954765	2.258127963 Hartree
294	C11 Ryd(4d)	0.000648470	3.905102304 Hartree
295	C11 Ryd(3d)	0.001310619	1.904761672 Hartree
296	C11 Ryd(4d)	0.000035236	3.519991481 Hartree
297	H12 Val(1s)	0.746490886	0.111065885 Hartree
298	H12 Ryd(2s)	0.000757182	1.359308684 Hartree
299	H12 Ryd(3s)	0.000199437	2.191577619 Hartree
300	H12 Ryd(2p)	0.000815431	2.633426129 Hartree
301	H12 Ryd(2p)	0.000075166	2.340714113 Hartree
302	H12 Ryd(2p)	0.000118054	1.843774045 Hartree
303	H13 Val(1s)	0.789111780	0.061990866 Hartree
304	H13 Ryd(2s)	0.000812588	0.906035526 Hartree
305	H13 Ryd(3s)	0.000101276	2.362663894 Hartree
306	H13 Ryd(2p)	0.000277858	2.384931585 Hartree
307	H13 Ryd(2p)	0.000532355	2.495138022 Hartree
308	H13 Ryd(2p)	0.000139463	1.814106053 Hartree
309	H14 Val(1s)	0.791014320	0.056237794 Hartree
310	H14 Ryd(2s)	0.000715838	0.892943395 Hartree
311	H14 Ryd(3s)	0.000083246	2.317074034 Hartree
312	H14 Ryd(2p)	0.000199728	2.360232043 Hartree
313	H14 Ryd(2p)	0.000598735	2.504919144 Hartree
314	H14 Ryd(2p)	0.000136940	1.807894262 Hartree
315	H15 Val(1s)	0.789754382	0.055475225 Hartree
316	H15 Ryd(2s)	0.000882411	0.837979741 Hartree
317	H15 Ryd(3s)	0.000094583	2.360138006 Hartree
318	H15 Ryd(2p)	0.000786169	2.550522963 Hartree
319	H15 Ryd(2p)	0.000067115	2.264595144 Hartree
320	H15 Ryd(2p)	0.000141478	1.796884926 Hartree
321	H16 Val(1s)	0.795130972	0.050929284 Hartree
322	H16 Ryd(2s)	0.000814293	0.829232608 Hartree
323	H16 Ryd(3s)	0.000142083	2.377501339 Hartree
324	H16 Ryd(2p)	0.000292378	2.389822798 Hartree
325	H16 Ryd(2p)	0.000524769	2.494153208 Hartree
326	H16 Ryd(2p)	0.000156835	1.809603010 Hartree
327	H17 Val(1s)	0.800503743	0.039671906 Hartree
328	H17 Ryd(2s)	0.001263381	0.663147941 Hartree
329	H17 Ryd(3s)	0.000066466	2.387613537 Hartree
330	H17 Ryd(2p)	0.000406492	2.369693507 Hartree
331	H17 Ryd(2p)	0.000518740	2.366889498 Hartree
332	H17 Ryd(2p)	0.000148362	1.767925166 Hartree
333	H18 Val(1s)	0.782737916	0.055900902 Hartree
334	H18 Ryd(2s)	0.001152913	0.854083175 Hartree
335	H18 Ryd(3s)	0.000090364	2.392527049 Hartree
336	H18 Ryd(2p)	0.000111044	2.250171953 Hartree
337	H18 Ryd(2p)	0.000790529	2.513405051 Hartree
338	H18 Ryd(2p)	0.000144950	1.774330883 Hartree
339	O19 Cor(1s)	1.999994854	-19.109518288 Hartree
340	O19 Val(2s)	1.702431631	-0.670085322 Hartree
341	O19 Ryd(3s)	0.000201185	3.561796031 Hartree
342	O19 Ryd(4s)	0.000048228	1.659533182 Hartree
343	O19 Ryd(5s)	0.000001484	46.617476756 Hartree
344	O19 Val(2p)	1.829134014	-0.265533910 Hartree
345	O19 Ryd(3p)	0.002131014	0.840530660 Hartree
346	O19 Ryd(4p)	0.000220124	1.208444440 Hartree
347	O19 Ryd(5p)	0.000005044	5.377785463 Hartree
348	O19 Val(2p)	1.588041360	-0.277269299 Hartree
349	O19 Ryd(3p)	0.000666815	0.886621228 Hartree
350	O19 Ryd(4p)	0.000385344	1.414076071 Hartree
351	O19 Ryd(5p)	0.000031621	6.238633526 Hartree
352	O19 Val(2p)	1.483937592	-0.256821165 Hartree
353	O19 Ryd(3p)	0.001764339	0.487174963 Hartree
354	O19 Ryd(4p)	0.000077394	1.003974017 Hartree
355	O19 Ryd(5p)	0.000012569	5.000738524 Hartree
356	O19 Ryd(3d)	0.005056766	2.059638212 Hartree
357	O19 Ryd(4d)	0.000043226	7.153696393 Hartree
358	O19 Ryd(3d)	0.000401223	1.615777757 Hartree
359	O19 Ryd(4d)	0.000002301	6.788513463 Hartree
360	O19 Ryd(3d)	0.004681402	1.804631643 Hartree
361	O19 Ryd(4d)	0.000015077	6.994426520 Hartree
362	O19 Ryd(3d)	0.005827154	2.143104921 Hartree
363	O19 Ryd(4d)	0.000027701	7.098635830 Hartree
364	O19 Ryd(3d)	0.001884227	1.871577357 Hartree
365	O19 Ryd(4d)	0.000003601	6.973291237 Hartree
366	C20 Cor(1s)	1.999987503	-10.170257161 Hartree
367	C20 Val(2s)	1.100366523	-0.180588094 Hartree
368	C20 Ryd(3s)	0.000736303	2.634889215 Hartree
369	C20 Ryd(4s)	0.000115422	13.854820170 Hartree
370	C20 Ryd(5s)	0.000007291	5.610760698 Hartree
371	C20 Val(2p)	1.155156792	-0.095393425 Hartree
372	C20 Ryd(3p)	0.001720146	0.689976220 Hartree
373	C20 Ryd(4p)	0.000078000	1.188945722 Hartree
374	C20 Ryd(5p)	0.000016720	2.968225586 Hartree
375	C20 Val(2p)	1.112713758	-0.087321794 Hartree
376	C20 Ryd(3p)	0.000784350	0.646691574 Hartree
377	C20 Ryd(4p)	0.000099062	1.982566530 Hartree
378	C20 Ryd(5p)	0.000049785	2.807600197 Hartree
379	C20 Val(2p)	1.209984757	-0.099594574 Hartree
380	C20 Ryd(3p)	0.000795582	0.613500274 Hartree
381	C20 Ryd(5p)	0.000007230	0.636685788 Hartree
382	C20 Ryd(4p)	0.000012703	2.881694359 Hartree
383	C20 Ryd(3d)	0.001371432	1.916486858 Hartree
384	C20 Ryd(4d)	0.000024371	3.076291488 Hartree
385	C20 Ryd(3d)	0.000265156	1.775572300 Hartree
386	C20 Ryd(4d)	0.000013270	2.765545981 Hartree
387	C20 Ryd(3d)	0.001390919	1.693527043 Hartree
388	C20 Ryd(4d)	0.000053684	3.270785301 Hartree
389	C20 Ryd(3d)	0.000597038	1.763673362 Hartree
390	C20 Ryd(4d)	0.000090951	3.074522260 Hartree
391	C20 Ryd(3d)	0.001440128	1.830632996 Hartree
392	C20 Ryd(4d)	0.000019094	3.078280986 Hartree
393	H21 Val(1s)	0.792471508	0.037466601 Hartree
394	H21 Ryd(2s)	0.000592416	0.424702575 Hartree
395	H21 Ryd(3s)	0.000049177	2.357070562 Hartree
396	H21 Ryd(2p)	0.000465553	2.452294510 Hartree
397	H21 Ryd(2p)	0.000084569	1.951144228 Hartree
398	H21 Ryd(2p)	0.000035399	1.862022328 Hartree
399	H22 Val(1s)	0.794730487	0.045253687 Hartree
400	H22 Ryd(2s)	0.001118259	0.540663440 Hartree
401	H22 Ryd(3s)	0.000070488	2.248717857 Hartree
402	H22 Ryd(2p)	0.000081780	1.944395919 Hartree
403	H22 Ryd(2p)	0.000172264	2.114842596 Hartree
404	H22 Ryd(2p)	0.000293155	2.279231783 Hartree
405	H23 Val(1s)	0.794730487	0.045253687 Hartree
406	H23 Ryd(2s)	0.001118259	0.540663440 Hartree
407	H23 Ryd(3s)	0.000070488	2.248717856 Hartree
408	H23 Ryd(2p)	0.000081780	1.944395919 Hartree
409	H23 Ryd(2p)	0.000172264	2.114842596 Hartree
410	H23 Ryd(2p)	0.000293155	2.279231783 Hartree
411	H24 Val(1s)	0.813373636	0.034031633 Hartree
412	H24 Ryd(2s)	0.001312029	0.505402110 Hartree
413	H24 Ryd(3s)	0.000083679	2.379949394 Hartree
414	H24 Ryd(2p)	0.000113240	2.050676951 Hartree
415	H24 Ryd(2p)	0.000367304	2.186299128 Hartree
416	H24 Ryd(2p)	0.000504808	2.318539221 Hartree
417	H25 Val(1s)	0.813373636	0.034031633 Hartree
418	H25 Ryd(2s)	0.001312029	0.505402110 Hartree
419	H25 Ryd(3s)	0.000083679	2.379949394 Hartree
420	H25 Ryd(2p)	0.000113240	2.050676951 Hartree
421	H25 Ryd(2p)	0.000367304	2.186299128 Hartree
422	H25 Ryd(2p)	0.000504808	2.318539221 Hartree
423			********** Hartree

Natural Hybrid Orbitals

Display Range		- / 423
Orbital	Description	Occupancy	Energy	Actions
1	CR(1)C1 s(100.00%)	1.999986367	-10.228493552 Hartree
2	CR(1)O2 s(100.00%)	1.999995477	-19.166483431 Hartree
3	CR(1)C3 s(100.00%)	1.999985004	-10.302138190 Hartree
4	CR(1)C4 s(100.00%)	1.999985206	-10.187069769 Hartree
5	CR(1)C5 s(100.00%)	1.999985377	-10.203721189 Hartree
6	CR(1)C6 s(100.00%)	1.999986543	-10.193323373 Hartree
7	CR(1)C7 s(100.00%)	1.999986747	-10.183957582 Hartree
8	CR(1)C8 s(100.00%)	1.999986857	-10.180242153 Hartree
9	CR(1)C9 s(100.00%)	1.999987140	-10.182777678 Hartree
10	CR(1)C10 s(100.00%)	1.999987057	-10.177236721 Hartree
11	CR(1)C11 s(100.00%)	1.999986230	-10.172628702 Hartree
12	CR(1)O19 s(100.00%)	1.999994854	-19.109518288 Hartree
13	CR(1)C20 s(100.00%)	1.999987503	-10.170257161 Hartree
14	LP(1)O2 s(39.98%)p1.50(59.92%)d0.00(0.10%)	1.968182957	-0.509505076 Hartree
15	LP(2)O2 s(0.00%)p1.00(99.87%)d0.00(0.13%)	1.793863909	-0.327463792 Hartree
16	LP(1)O19 s(59.28%)p0.69(40.64%)d0.00(0.08%)	1.975744471	-0.563528399 Hartree
17	LP(2)O19 s(0.03%)p99.99(99.72%)d10.09(0.26%)	1.851541725	-0.268655779 Hartree
18	BD(1)C1(O2) 1s(19.09%)p4.23(80.73%)d0.01(0.18%)	0.628002434	-0.047080690 Hartree
19	BD(1)O2(C1) 2s(28.31%)p2.53(71.51%)d0.01(0.18%)	1.392565391	-0.423149070 Hartree
20	BD(1)C1(C20) 1s(31.01%)p2.22(68.89%)d0.00(0.10%)	1.009481160	-0.091759276 Hartree
21	BD(1)C20(C1) 20s(29.36%)p2.40(70.50%)d0.00(0.14%)	0.987797108	-0.079084202 Hartree
22	BD(1)C1(H24) 1s(25.07%)p2.99(74.83%)d0.00(0.10%)	1.192325276	-0.135758769 Hartree
23	BD(1)H24(C1) 24s(99.91%)p0.00(0.09%)	0.814115319	0.035677847 Hartree
24	BD(1)C1(H25) 1s(25.07%)p2.99(74.83%)d0.00(0.10%)	1.192325276	-0.135758769 Hartree
25	BD(1)H25(C1) 25s(99.91%)p0.00(0.09%)	0.814115319	0.035677847 Hartree
26	BD(1)O2(C3) 2s(31.68%)p2.15(68.10%)d0.01(0.22%)	1.404134455	-0.435363052 Hartree
27	BD(1)C3(O2) 3s(26.63%)p2.75(73.20%)d0.01(0.17%)	0.687549922	-0.017595202 Hartree
28	BD(1)C3(C4) 3s(38.80%)p1.58(61.13%)d0.00(0.07%)	1.011347412	-0.090681236 Hartree
29	BD(1)C4(C3) 4s(32.13%)p2.11(67.75%)d0.00(0.11%)	1.026525744	-0.082522577 Hartree
30	BD(1)C3(O19) 3s(34.54%)p1.89(65.34%)d0.00(0.13%)	0.711053815	0.069419474 Hartree
31	BD(1)O19(C3) 19s(40.63%)p1.45(58.89%)d0.01(0.47%)	1.306134657	-0.380936855 Hartree
32	BD(2)C3(O19) 3s(0.00%)p1.00(99.81%)d0.00(0.19%)	0.773235886	-0.124145410 Hartree
33	BD(2)O19(C3) 19s(0.00%)p1.00(99.66%)d0.00(0.34%)	1.488965656	-0.258624139 Hartree
34	BD(1)C4(C5) 4s(40.69%)p1.45(59.14%)d0.00(0.17%)	0.986042016	-0.004364936 Hartree
35	BD(1)C5(C4) 5s(39.78%)p1.51(60.13%)d0.00(0.10%)	1.007173035	-0.012098604 Hartree
36	BD(2)C4(C5) 4s(0.00%)p1.00(99.97%)d0.00(0.03%)	1.066858747	-0.127991940 Hartree
37	BD(2)C5(C4) 5s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.918698175	-0.121424162 Hartree
38	BD(1)C4(H18) 4s(26.98%)p2.70(72.96%)d0.00(0.06%)	1.200866614	-0.112273845 Hartree
39	BD(1)H18(C4) 18s(99.92%)p0.00(0.08%)	0.783410193	0.056878078 Hartree
40	BD(1)C5(C6) 5s(36.05%)p1.77(63.88%)d0.00(0.07%)	0.986057528	-0.044874204 Hartree
41	BD(1)C6(C5) 6s(32.22%)p2.10(67.72%)d0.00(0.06%)	1.018470322	-0.053145232 Hartree
42	BD(1)C5(H17) 5s(24.17%)p3.14(75.78%)d0.00(0.05%)	1.182523664	-0.112674504 Hartree
43	BD(1)H17(C5) 17s(99.92%)p0.00(0.08%)	0.801170899	0.041097659 Hartree
44	BD(1)C6(C7) 6s(32.94%)p2.03(66.98%)d0.00(0.08%)	1.019247280	-0.027860456 Hartree
45	BD(1)C7(C6) 7s(35.93%)p1.78(63.95%)d0.00(0.12%)	0.975314976	-0.010187850 Hartree
46	BD(2)C6(C7) 6s(0.00%)p1.00(99.98%)d0.00(0.02%)	1.025290362	-0.110071030 Hartree
47	BD(2)C7(C6) 7s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.980232962	-0.116761948 Hartree
48	BD(1)C6(C11) 6s(34.72%)p1.88(65.22%)d0.00(0.06%)	1.030029423	-0.030832406 Hartree
49	BD(1)C11(C6) 11s(34.95%)p1.86(64.93%)d0.00(0.12%)	0.967735947	0.004850242 Hartree
50	BD(1)C7(C8) 7s(36.36%)p1.75(63.52%)d0.00(0.12%)	0.998865541	-0.012928825 Hartree
51	BD(1)C8(C7) 8s(36.13%)p1.76(63.74%)d0.00(0.12%)	0.993618320	-0.010010945 Hartree
52	BD(1)C7(H16) 7s(27.55%)p2.63(72.41%)d0.00(0.04%)	1.199687768	-0.119683730 Hartree
53	BD(1)H16(C7) 16s(99.93%)p0.00(0.07%)	0.795737947	0.052720995 Hartree
54	BD(1)C8(C9) 8s(35.85%)p1.79(64.03%)d0.00(0.12%)	1.000613766	-0.016190203 Hartree
55	BD(1)C9(C8) 9s(35.89%)p1.78(63.97%)d0.00(0.14%)	0.993712134	-0.012919537 Hartree
56	BD(2)C8(C9) 8s(0.00%)p1.00(99.97%)d0.00(0.03%)	1.004355786	-0.115092642 Hartree
57	BD(2)C9(C8) 9s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.975887494	-0.114551810 Hartree
58	BD(1)C8(H15) 8s(27.87%)p2.59(72.10%)d0.00(0.04%)	1.204498732	-0.118719585 Hartree
59	BD(1)H15(C8) 15s(99.93%)p0.00(0.07%)	0.790374061	0.056746036 Hartree
60	BD(1)C9(C10) 9s(36.00%)p1.77(63.86%)d0.00(0.14%)	0.999619933	-0.014132251 Hartree
61	BD(1)C10(C9) 10s(35.85%)p1.79(64.02%)d0.00(0.13%)	0.995882623	-0.012595772 Hartree
62	BD(1)C9(H14) 9s(27.94%)p2.58(72.03%)d0.00(0.04%)	1.203914138	-0.117974573 Hartree
63	BD(1)H14(C9) 14s(99.93%)p0.00(0.07%)	0.791586142	0.057472134 Hartree
64	BD(1)C10(C11) 10s(36.21%)p1.76(63.66%)d0.00(0.13%)	0.994706783	-0.004708361 Hartree
65	BD(1)C11(C10) 11s(35.79%)p1.79(64.10%)d0.00(0.11%)	0.997792099	-0.004014471 Hartree
66	BD(2)C10(C11) 10s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.996332361	-0.111897805 Hartree
67	BD(2)C11(C10) 11s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.937857254	-0.103106621 Hartree
68	BD(1)C10(H13) 10s(27.78%)p2.60(72.19%)d0.00(0.04%)	1.205545583	-0.114000484 Hartree
69	BD(1)H13(C10) 13s(99.93%)p0.00(0.07%)	0.789687916	0.063371811 Hartree
70	BD(1)C11(H12) 11s(29.13%)p2.43(70.83%)d0.00(0.04%)	1.252001703	-0.107689879 Hartree
71	BD(1)H12(C11) 12s(99.92%)p0.00(0.08%)	0.747121460	0.112687644 Hartree
72	BD(1)C20(H21) 20s(23.13%)p3.32(76.77%)d0.00(0.09%)	1.193335398	-0.123082473 Hartree
73	BD(1)H21(C20) 21s(99.95%)p0.00(0.05%)	0.792911741	0.037966985 Hartree
74	BD(1)C20(H22) 20s(23.77%)p3.20(76.13%)d0.00(0.10%)	1.201740556	-0.124752516 Hartree
75	BD(1)H22(C20) 22s(99.95%)p0.00(0.05%)	0.795114457	0.046278305 Hartree
76	BD(1)C20(H23) 20s(23.77%)p3.20(76.13%)d0.00(0.10%)	1.201740556	-0.124752516 Hartree
77	BD(1)H23(C20) 23s(99.95%)p0.00(0.05%)	0.795114457	0.046278305 Hartree
78	RY(1)C1 s(30.95%)p1.98(61.13%)d0.26(7.93%)	0.002892916	1.177703836 Hartree
79	RY(2)C1 s(19.81%)p3.41(67.56%)d0.64(12.63%)	0.001648367	1.448475404 Hartree
80	RY(3)C1 s(0.00%)p1.00(75.85%)d0.32(24.15%)	0.001405495	1.067657886 Hartree
81	RY(4)C1 s(11.68%)p3.87(45.25%)d3.69(43.07%)	0.001009165	1.660492109 Hartree
82	RY(5)C1 s(6.99%)p8.73(61.04%)d4.57(31.96%)	0.000674416	1.546385925 Hartree
83	RY(6)C1 s(0.00%)p1.00(17.35%)d4.76(82.65%)	0.000619535	1.818679292 Hartree
84	RY(7)C1 s(20.88%)p1.50(31.34%)d2.29(47.77%)	0.000249178	4.763162875 Hartree
85	RY(8)C1 s(31.95%)p0.28(8.95%)d1.85(59.10%)	0.000088708	3.461969015 Hartree
86	RY(9)C1 s(0.00%)p1.00(25.34%)d2.95(74.66%)	0.000049508	1.741444024 Hartree
87	RY(10)C1 s(11.05%)p2.11(23.36%)d5.93(65.58%)	0.000038323	4.453231429 Hartree
88	RY(11)C1 s(0.00%)p1.00(12.14%)d7.23(87.86%)	0.000030966	2.393751874 Hartree
89	RY(12)C1 s(19.14%)p2.90(55.44%)d1.33(25.42%)	0.000012737	2.479510879 Hartree
90	RY(13)C1 s(1.38%)p49.34(68.00%)d22.22(30.62%)	0.000005430	2.901769618 Hartree
91	RY(14)C1 s(52.82%)p0.58(30.39%)d0.32(16.79%)	0.000002755	1.709766435 Hartree
92	RY(15)C1 s(9.42%)p2.68(25.25%)d6.94(65.33%)	0.000000185	2.724311741 Hartree
93	RY(16)C1 s(19.10%)p0.43(8.17%)d3.81(72.73%)	0.000000437	6.028741513 Hartree
94	RY(17)C1 s(24.67%)p2.40(59.31%)d0.65(16.02%)	0.000001302	5.953650700 Hartree
95	RY(18)C1 s(0.00%)p1.00(39.38%)d1.54(60.62%)	0.000000218	2.025072236 Hartree
96	RY(19)C1 s(0.00%)p1.00(58.90%)d0.70(41.10%)	0.000000058	1.413814479 Hartree
97	RY(20)C1 s(0.00%)p1.00(71.16%)d0.41(28.84%)	0.000000000	3.347862993 Hartree
98	RY(21)C1 s(30.40%)p1.58(48.02%)d0.71(21.58%)	0.000000314	3.561576876 Hartree
99	RY(22)C1 s(9.51%)p0.78(7.38%)d8.74(83.10%)	0.000000055	4.890669906 Hartree
100	RY(1)O2 s(22.20%)p3.20(71.03%)d0.30(6.77%)	0.004548263	0.848251155 Hartree
101	RY(2)O2 s(0.00%)p1.00(97.39%)d0.03(2.61%)	0.003229872	0.571304450 Hartree
102	RY(3)O2 s(1.79%)p53.89(96.43%)d0.99(1.78%)	0.002474302	1.548100119 Hartree
103	RY(4)O2 s(41.36%)p1.36(56.29%)d0.06(2.36%)	0.000580926	1.870017736 Hartree
104	RY(5)O2 s(17.36%)p3.88(67.37%)d0.88(15.27%)	0.000385110	1.929960232 Hartree
105	RY(6)O2 s(20.85%)p1.31(27.32%)d2.49(51.83%)	0.000228636	2.594314290 Hartree
106	RY(7)O2 s(25.83%)p0.84(21.58%)d2.04(52.59%)	0.000175933	2.201930305 Hartree
107	RY(8)O2 s(0.00%)p1.00(26.01%)d2.84(73.99%)	0.000146107	2.551655076 Hartree
108	RY(9)O2 s(0.00%)p1.00(32.49%)d2.08(67.51%)	0.000059656	1.867711426 Hartree
109	RY(10)O2 s(34.69%)p0.64(22.32%)d1.24(42.99%)	0.000040548	2.506770723 Hartree
110	RY(11)O2 s(19.42%)p1.21(23.43%)d2.94(57.15%)	0.000031729	2.030442802 Hartree
111	RY(12)O2 s(0.00%)p1.00(7.72%)d11.96(92.28%)	0.000019600	2.742802605 Hartree
112	RY(13)O2 s(12.36%)p2.85(35.20%)d4.24(52.44%)	0.000007018	5.428946360 Hartree
113	RY(14)O2 s(0.43%)p99.99(63.13%)d83.84(36.44%)	0.000003407	5.088020405 Hartree
114	RY(15)O2 s(0.00%)p1.00(35.81%)d1.79(64.19%)	0.000003314	4.398115308 Hartree
115	RY(16)O2 s(2.72%)p13.74(37.44%)d21.96(59.84%)	0.000000195	6.697024292 Hartree
116	RY(17)O2 s(93.76%)p0.00(0.37%)d0.06(5.86%)	0.000000009	46.468854793 Hartree
117	RY(18)O2 s(0.62%)p99.99(68.66%)d49.67(30.72%)	0.000000774	4.788192641 Hartree
118	RY(19)O2 s(0.66%)p8.70(5.74%)d99.99(93.61%)	0.000001634	2.714001414 Hartree
119	RY(20)O2 s(0.00%)p1.00(6.15%)d15.25(93.85%)	0.000000000	6.678562051 Hartree
120	RY(21)O2 s(0.00%)p1.00(94.55%)d0.06(5.45%)	0.000000008	5.018303041 Hartree
121	RY(22)O2 s(5.96%)p0.70(4.16%)d15.08(89.88%)	0.000000087	8.302608989 Hartree
122	RY(1)C3 s(7.71%)p11.92(91.95%)d0.04(0.34%)	0.017358652	1.133288517 Hartree
123	RY(2)C3 s(6.92%)p11.23(77.75%)d2.21(15.32%)	0.005564026	1.281571476 Hartree
124	RY(3)C3 s(3.28%)p3.83(12.58%)d25.62(84.14%)	0.003274514	2.681613231 Hartree
125	RY(4)C3 s(0.00%)p1.00(0.59%)d99.99(99.41%)	0.002817185	2.146558525 Hartree
126	RY(5)C3 s(0.00%)p1.00(11.98%)d7.35(88.02%)	0.001112263	1.539055474 Hartree
127	RY(6)C3 s(10.62%)p1.82(19.30%)d6.60(70.08%)	0.001065972	4.096001723 Hartree
128	RY(7)C3 s(24.98%)p1.30(32.59%)d1.70(42.44%)	0.000532758	2.111252732 Hartree
129	RY(8)C3 s(19.65%)p1.66(32.70%)d2.42(47.64%)	0.000516825	3.692961991 Hartree
130	RY(9)C3 s(26.25%)p2.70(71.01%)d0.10(2.74%)	0.000309058	1.570061089 Hartree
131	RY(10)C3 s(23.09%)p1.77(40.80%)d1.56(36.10%)	0.000135061	4.911972004 Hartree
132	RY(11)C3 s(0.00%)p1.00(83.28%)d0.20(16.72%)	0.000128999	0.818085214 Hartree
133	RY(12)C3 s(30.41%)p0.84(25.45%)d1.45(44.15%)	0.000035042	2.094414033 Hartree
134	RY(13)C3 s(0.00%)p1.00(53.35%)d0.87(46.65%)	0.000032590	1.667497814 Hartree
135	RY(14)C3 s(6.19%)p9.78(60.55%)d5.37(33.26%)	0.000021072	2.407889646 Hartree
136	RY(15)C3 s(20.34%)p1.78(36.24%)d2.14(43.43%)	0.000007975	2.628760108 Hartree
137	RY(16)C3 s(0.00%)p1.00(47.86%)d1.09(52.14%)	0.000006757	1.496904824 Hartree
138	RY(17)C3 s(7.66%)p3.46(26.52%)d8.60(65.83%)	0.000005280	2.820450920 Hartree
139	RY(18)C3 s(21.21%)p2.74(58.08%)d0.98(20.70%)	0.000003540	5.065836339 Hartree
140	RY(19)C3 s(69.73%)p0.06(4.46%)d0.37(25.81%)	0.000001586	4.011210918 Hartree
141	RY(20)C3 s(21.99%)p0.47(10.35%)d3.08(67.66%)	0.000001005	3.095604286 Hartree
142	RY(21)C3 s(0.00%)p1.00(48.75%)d1.05(51.25%)	0.000000652	2.613530724 Hartree
143	RY(22)C3 s(0.00%)p1.00(54.39%)d0.84(45.61%)	0.000000036	2.567021670 Hartree
144	RY(1)C4 s(1.14%)p77.29(88.48%)d9.07(10.38%)	0.006307254	1.177176886 Hartree
145	RY(2)C4 s(0.26%)p99.99(94.53%)d20.35(5.22%)	0.002339257	0.994528138 Hartree
146	RY(3)C4 s(0.00%)p1.00(88.00%)d0.14(12.00%)	0.001657962	0.409889957 Hartree
147	RY(4)C4 s(59.18%)p0.47(28.01%)d0.22(12.82%)	0.000823066	3.087744859 Hartree
148	RY(5)C4 s(15.29%)p2.07(31.60%)d3.48(53.12%)	0.000338804	2.226894840 Hartree
149	RY(6)C4 s(0.88%)p53.48(46.88%)d59.59(52.24%)	0.000227662	3.808911109 Hartree
150	RY(7)C4 s(0.00%)p1.00(4.93%)d19.29(95.07%)	0.000191449	1.741365597 Hartree
151	RY(8)C4 s(2.46%)p14.88(36.67%)d24.70(60.87%)	0.000133856	2.852715357 Hartree
152	RY(9)C4 s(0.00%)p1.00(15.60%)d5.41(84.40%)	0.000114015	2.012455650 Hartree
153	RY(10)C4 s(11.43%)p3.01(34.47%)d4.73(54.10%)	0.000070679	2.734492290 Hartree
154	RY(11)C4 s(10.35%)p1.48(15.28%)d7.19(74.37%)	0.000025874	2.582264941 Hartree
155	RY(12)C4 s(0.21%)p99.99(57.98%)d99.99(41.81%)	0.000022680	1.748427949 Hartree
156	RY(13)C4 s(0.35%)p99.99(37.39%)d99.99(62.27%)	0.000015518	3.940250748 Hartree
157	RY(14)C4 s(0.00%)p1.00(63.72%)d0.57(36.28%)	0.000010771	0.777306226 Hartree
158	RY(15)C4 s(0.46%)p99.99(60.08%)d86.53(39.47%)	0.000010470	2.261328710 Hartree
159	RY(16)C4 s(1.50%)p42.42(63.43%)d23.46(35.08%)	0.000006325	3.475614556 Hartree
160	RY(17)C4 s(0.00%)p1.00(34.70%)d1.88(65.30%)	0.000005909	1.469225191 Hartree
161	RY(18)C4 s(7.94%)p0.55(4.37%)d11.04(87.69%)	0.000002005	4.471802048 Hartree
162	RY(19)C4 s(88.76%)p0.01(0.99%)d0.12(10.25%)	0.000000520	17.949398266 Hartree
163	RY(20)C4 s(0.00%)p1.00(89.96%)d0.11(10.04%)	0.000000771	2.772913246 Hartree
164	RY(21)C4 s(0.00%)p1.00(3.11%)d31.12(96.89%)	0.000000055	3.335145786 Hartree
165	RY(1)C5 s(2.73%)p33.20(90.71%)d2.40(6.56%)	0.008976404	1.069568477 Hartree
166	RY(2)C5 s(0.14%)p99.99(78.67%)d99.99(21.20%)	0.001361121	1.750077097 Hartree
167	RY(3)C5 s(0.00%)p1.00(39.59%)d1.53(60.41%)	0.001014904	1.249866683 Hartree
168	RY(4)C5 s(9.85%)p3.80(37.44%)d5.35(52.71%)	0.000341293	2.649404923 Hartree
169	RY(5)C5 s(0.22%)p85.30(18.84%)d99.99(80.94%)	0.000327063	3.617365136 Hartree
170	RY(6)C5 s(52.13%)p0.23(12.23%)d0.68(35.64%)	0.000230764	1.683489998 Hartree
171	RY(7)C5 s(12.56%)p1.22(15.34%)d5.74(72.10%)	0.000196809	4.433107535 Hartree
172	RY(8)C5 s(0.00%)p1.00(35.60%)d1.81(64.40%)	0.000180550	0.848540489 Hartree
173	RY(9)C5 s(0.00%)p1.00(35.54%)d1.81(64.46%)	0.000137062	1.331320076 Hartree
174	RY(10)C5 s(18.53%)p1.33(24.56%)d3.07(56.91%)	0.000058507	2.146305658 Hartree
175	RY(11)C5 s(10.40%)p6.90(71.71%)d1.72(17.90%)	0.000048968	3.881519673 Hartree
176	RY(12)C5 s(34.52%)p1.47(50.91%)d0.42(14.57%)	0.000021490	7.936586642 Hartree
177	RY(13)C5 s(5.68%)p4.83(27.46%)d11.76(66.86%)	0.000016431	4.201330248 Hartree
178	RY(14)C5 s(0.00%)p1.00(9.70%)d9.31(90.30%)	0.000011081	2.452574776 Hartree
179	RY(15)C5 s(46.58%)p0.53(24.66%)d0.62(28.76%)	0.000009489	3.909868797 Hartree
180	RY(16)C5 s(52.64%)p0.70(36.65%)d0.20(10.71%)	0.000005554	4.236521277 Hartree
181	RY(17)C5 s(22.67%)p2.07(46.89%)d1.34(30.45%)	0.000003813	2.753169605 Hartree
182	RY(18)C5 s(23.28%)p2.52(58.77%)d0.77(17.95%)	0.000003209	5.985049590 Hartree
183	RY(19)C5 s(0.00%)p1.00(79.57%)d0.26(20.43%)	0.000000903	0.503652092 Hartree
184	RY(20)C5 s(8.07%)p0.67(5.41%)d10.72(86.52%)	0.000001451	4.827633602 Hartree
185	RY(21)C5 s(0.00%)p1.00(79.79%)d0.25(20.21%)	0.000000040	2.971809371 Hartree
186	RY(22)C5 s(0.00%)p1.00(20.26%)d3.94(79.74%)	0.000000000	3.205208739 Hartree
187	RY(1)C6 s(1.55%)p58.58(90.81%)d4.93(7.64%)	0.008041150	1.265258055 Hartree
188	RY(2)C6 s(3.30%)p24.41(80.45%)d4.93(16.26%)	0.004165004	1.774893600 Hartree
189	RY(3)C6 s(0.00%)p1.00(90.12%)d0.11(9.88%)	0.001036662	0.692059371 Hartree
190	RY(4)C6 s(18.44%)p0.76(13.96%)d3.66(67.59%)	0.000734137	2.396876971 Hartree
191	RY(5)C6 s(6.95%)p6.74(46.82%)d6.65(46.23%)	0.000539134	3.353249435 Hartree
192	RY(6)C6 s(0.00%)p1.00(1.81%)d54.35(98.19%)	0.000507679	2.244911515 Hartree
193	RY(7)C6 s(25.76%)p1.72(44.40%)d1.16(29.84%)	0.000401888	2.677467356 Hartree
194	RY(8)C6 s(0.00%)p1.00(10.29%)d8.72(89.71%)	0.000386305	1.483872295 Hartree
195	RY(9)C6 s(21.24%)p1.57(33.30%)d2.14(45.46%)	0.000250308	3.834334967 Hartree
196	RY(10)C6 s(19.82%)p1.21(24.01%)d2.83(56.17%)	0.000133113	2.951126080 Hartree
197	RY(11)C6 s(7.78%)p7.50(58.32%)d4.36(33.90%)	0.000092787	1.880146411 Hartree
198	RY(12)C6 s(32.98%)p0.87(28.56%)d1.17(38.47%)	0.000051218	3.527597435 Hartree
199	RY(13)C6 s(23.35%)p0.72(16.93%)d2.56(59.73%)	0.000035215	3.778820607 Hartree
200	RY(14)C6 s(22.93%)p1.39(31.96%)d1.97(45.11%)	0.000021383	5.129338699 Hartree
201	RY(15)C6 s(58.64%)p0.31(18.03%)d0.40(23.33%)	0.000008173	3.287388272 Hartree
202	RY(16)C6 s(0.00%)p1.00(80.56%)d0.24(19.44%)	0.000007734	0.874352000 Hartree
203	RY(17)C6 s(25.08%)p2.14(53.72%)d0.84(21.19%)	0.000004568	2.264727663 Hartree
204	RY(18)C6 s(0.00%)p1.00(5.72%)d16.47(94.28%)	0.000000683	2.090337747 Hartree
205	RY(19)C6 s(18.89%)p2.18(41.20%)d2.11(39.90%)	0.000001250	3.407213666 Hartree
206	RY(20)C6 s(13.41%)p1.31(17.61%)d5.15(68.99%)	0.000001892	4.235845804 Hartree
207	RY(21)C6 s(0.00%)p1.00(14.58%)d5.86(85.42%)	0.000000033	2.809001141 Hartree
208	RY(22)C6 s(0.00%)p1.00(96.95%)d0.03(3.05%)	0.000000000	2.846188762 Hartree
209	RY(1)C7 s(0.58%)p99.99(88.55%)d18.68(10.87%)	0.006226957	1.383875734 Hartree
210	RY(2)C7 s(1.83%)p46.77(85.53%)d6.91(12.64%)	0.001724391	1.056601793 Hartree
211	RY(3)C7 s(0.00%)p1.00(77.48%)d0.29(22.52%)	0.001164829	0.555757600 Hartree
212	RY(4)C7 s(31.51%)p0.32(10.04%)d1.86(58.46%)	0.000712503	2.356778831 Hartree
213	RY(5)C7 s(0.00%)p1.00(16.34%)d5.12(83.66%)	0.000549842	1.852066303 Hartree
214	RY(6)C7 s(24.63%)p1.81(44.56%)d1.25(30.81%)	0.000388956	2.131152550 Hartree
215	RY(7)C7 s(5.13%)p7.81(40.13%)d10.66(54.74%)	0.000194301	3.152717099 Hartree
216	RY(8)C7 s(3.69%)p8.94(32.98%)d17.17(63.33%)	0.000140209	2.122780440 Hartree
217	RY(9)C7 s(0.00%)p1.00(41.66%)d1.40(58.34%)	0.000072821	0.951448219 Hartree
218	RY(10)C7 s(7.16%)p5.47(39.20%)d7.49(53.64%)	0.000040015	2.010463572 Hartree
219	RY(11)C7 s(37.77%)p1.12(42.40%)d0.53(19.84%)	0.000031044	7.136749530 Hartree
220	RY(12)C7 s(8.33%)p7.47(62.26%)d3.53(29.41%)	0.000014457	1.526389843 Hartree
221	RY(13)C7 s(27.15%)p0.69(18.80%)d1.99(54.05%)	0.000011802	5.954330210 Hartree
222	RY(14)C7 s(36.76%)p1.24(45.75%)d0.48(17.49%)	0.000006822	6.146864221 Hartree
223	RY(15)C7 s(32.58%)p0.85(27.76%)d1.22(39.66%)	0.000005285	5.947568420 Hartree
224	RY(16)C7 s(65.73%)p0.23(14.91%)d0.29(19.36%)	0.000003414	3.791173638 Hartree
225	RY(17)C7 s(0.00%)p1.00(45.57%)d1.19(54.43%)	0.000001373	0.664090735 Hartree
226	RY(18)C7 s(0.00%)p1.00(54.95%)d0.82(45.05%)	0.000000314	2.486613747 Hartree
227	RY(19)C7 s(0.00%)p1.00(47.88%)d1.09(52.12%)	0.000000035	2.685685376 Hartree
228	RY(20)C7 s(0.00%)p1.00(16.14%)d5.19(83.86%)	0.000000000	3.276630722 Hartree
229	RY(21)C7 s(10.72%)p2.94(31.53%)d5.39(57.75%)	0.000000588	3.433258858 Hartree
230	RY(22)C7 s(6.59%)p2.38(15.72%)d11.78(77.68%)	0.000001461	3.315920838 Hartree
231	RY(1)C8 s(0.11%)p99.99(85.98%)d99.99(13.90%)	0.006231011	1.389433352 Hartree
232	RY(2)C8 s(0.39%)p99.99(97.73%)d4.75(1.87%)	0.001504872	1.401883799 Hartree
233	RY(3)C8 s(0.00%)p1.00(82.98%)d0.21(17.02%)	0.001006630	0.409452136 Hartree
234	RY(4)C8 s(37.37%)p0.19(7.17%)d1.48(55.46%)	0.000508090	2.255841070 Hartree
235	RY(5)C8 s(0.00%)p1.00(0.58%)d99.99(99.42%)	0.000408184	2.595000346 Hartree
236	RY(6)C8 s(1.18%)p25.72(30.32%)d58.10(68.50%)	0.000324112	2.593446640 Hartree
237	RY(7)C8 s(9.74%)p1.48(14.44%)d7.79(75.82%)	0.000094239	2.940877117 Hartree
238	RY(8)C8 s(26.05%)p1.46(38.16%)d1.37(35.79%)	0.000051866	1.917945913 Hartree
239	RY(9)C8 s(17.15%)p3.39(58.04%)d1.45(24.82%)	0.000038113	2.388789141 Hartree
240	RY(10)C8 s(63.32%)p0.23(14.72%)d0.35(21.96%)	0.000014643	4.679641585 Hartree
241	RY(11)C8 s(4.08%)p16.79(68.44%)d6.74(27.48%)	0.000010004	3.208792254 Hartree
242	RY(12)C8 s(14.24%)p2.15(30.60%)d3.87(55.16%)	0.000008603	3.724252869 Hartree
243	RY(13)C8 s(0.00%)p1.00(16.67%)d5.00(83.33%)	0.000007521	1.000922145 Hartree
244	RY(14)C8 s(20.97%)p0.47(9.85%)d3.30(69.18%)	0.000005076	4.448332020 Hartree
245	RY(15)C8 s(7.68%)p6.86(52.74%)d5.15(39.58%)	0.000002137	2.607799668 Hartree
246	RY(16)C8 s(0.00%)p1.00(86.60%)d0.15(13.40%)	0.000000560	0.702813362 Hartree
247	RY(17)C8 s(4.83%)p10.81(52.24%)d8.89(42.93%)	0.000000332	2.620495582 Hartree
248	RY(18)C8 s(0.00%)p1.00(69.05%)d0.45(30.95%)	0.000000000	2.822807896 Hartree
249	RY(19)C8 s(0.00%)p1.00(30.85%)d2.24(69.15%)	0.000000000	3.112126188 Hartree
250	RY(20)C8 s(0.00%)p1.00(13.30%)d6.52(86.70%)	0.000000041	1.837045324 Hartree
251	RY(21)C8 s(60.46%)p0.25(15.11%)d0.40(24.43%)	0.000000258	12.818764747 Hartree
252	RY(22)C8 s(32.58%)p0.75(24.58%)d1.32(42.84%)	0.000000882	5.801082829 Hartree
253	RY(1)C9 s(0.13%)p99.99(85.89%)d99.99(13.98%)	0.006114457	1.388567981 Hartree
254	RY(2)C9 s(0.12%)p99.99(97.51%)d19.33(2.36%)	0.001460567	1.320923191 Hartree
255	RY(3)C9 s(0.00%)p1.00(82.78%)d0.21(17.22%)	0.001111725	0.407537152 Hartree
256	RY(4)C9 s(32.05%)p0.18(5.88%)d1.94(62.07%)	0.000517545	2.139841258 Hartree
257	RY(5)C9 s(0.00%)p1.00(0.49%)d99.99(99.51%)	0.000419217	2.520100544 Hartree
258	RY(6)C9 s(0.07%)p99.99(36.24%)d99.99(63.69%)	0.000382604	2.329263828 Hartree
259	RY(7)C9 s(9.53%)p1.83(17.44%)d7.66(73.03%)	0.000084710	3.415582123 Hartree
260	RY(8)C9 s(50.42%)p0.34(16.99%)d0.65(32.59%)	0.000040230	1.981493742 Hartree
261	RY(9)C9 s(4.50%)p19.80(89.03%)d1.44(6.47%)	0.000031812	2.048875238 Hartree
262	RY(10)C9 s(25.11%)p1.73(43.39%)d1.25(31.50%)	0.000023651	3.019673156 Hartree
263	RY(11)C9 s(3.72%)p5.94(22.09%)d19.93(74.18%)	0.000012452	3.238483102 Hartree
264	RY(12)C9 s(54.50%)p0.15(8.30%)d0.68(37.21%)	0.000006414	4.031327803 Hartree
265	RY(13)C9 s(0.00%)p1.00(78.34%)d0.28(21.66%)	0.000002022	0.809808607 Hartree
266	RY(14)C9 s(4.65%)p10.40(48.40%)d10.09(46.94%)	0.000002368	2.291924416 Hartree
267	RY(15)C9 s(0.00%)p1.00(67.10%)d0.49(32.90%)	0.000000004	1.633229438 Hartree
268	RY(16)C9 s(25.97%)p0.79(20.44%)d2.06(53.59%)	0.000000989	3.384713862 Hartree
269	RY(17)C9 s(85.44%)p0.05(4.39%)d0.12(10.17%)	0.000000093	17.282541878 Hartree
270	RY(18)C9 s(2.26%)p27.67(62.61%)d15.52(35.12%)	0.000000294	2.733427461 Hartree
271	RY(19)C9 s(0.00%)p1.00(39.95%)d1.50(60.05%)	0.000000084	2.058934406 Hartree
272	RY(20)C9 s(0.00%)p1.00(23.87%)d3.19(76.13%)	0.000000196	1.673364567 Hartree
273	RY(21)C9 s(0.00%)p1.00(7.52%)d12.30(92.48%)	0.000000000	3.308135669 Hartree
274	RY(22)C9 s(1.69%)p24.64(41.55%)d33.65(56.76%)	0.000000439	2.687724052 Hartree
275	RY(1)C10 s(0.07%)p99.99(85.50%)d99.99(14.43%)	0.006208515	1.373338103 Hartree
276	RY(2)C10 s(0.05%)p99.99(97.73%)d49.07(2.22%)	0.001471638	1.358031788 Hartree
277	RY(3)C10 s(0.00%)p1.00(82.51%)d0.21(17.49%)	0.000890961	0.398322587 Hartree
278	RY(4)C10 s(37.16%)p0.18(6.77%)d1.51(56.07%)	0.000553414	2.182591671 Hartree
279	RY(5)C10 s(0.00%)p1.00(5.02%)d18.90(94.98%)	0.000424426	2.324798304 Hartree
280	RY(6)C10 s(1.60%)p14.74(23.56%)d46.82(74.84%)	0.000339260	2.895910343 Hartree
281	RY(7)C10 s(1.12%)p18.06(20.19%)d70.40(78.69%)	0.000094836	2.217290988 Hartree
282	RY(8)C10 s(16.97%)p3.18(53.99%)d1.71(29.04%)	0.000043228	1.777250396 Hartree
283	RY(9)C10 s(31.14%)p1.44(44.73%)d0.77(24.13%)	0.000037335	3.387970165 Hartree
284	RY(10)C10 s(57.70%)p0.63(36.52%)d0.10(5.78%)	0.000018860	3.773146385 Hartree
285	RY(11)C10 s(9.90%)p3.98(39.38%)d5.12(50.72%)	0.000012498	2.985632361 Hartree
286	RY(12)C10 s(0.00%)p1.00(18.81%)d4.32(81.19%)	0.000010341	1.313158831 Hartree
287	RY(13)C10 s(36.52%)p0.51(18.46%)d1.23(45.02%)	0.000007324	4.739990919 Hartree
288	RY(14)C10 s(12.02%)p3.36(40.41%)d3.96(47.57%)	0.000005512	3.194703696 Hartree
289	RY(15)C10 s(33.06%)p1.29(42.68%)d0.73(24.26%)	0.000002683	4.511287794 Hartree
290	RY(16)C10 s(32.11%)p0.88(28.23%)d1.24(39.66%)	0.000003321	7.195509893 Hartree
291	RY(17)C10 s(0.00%)p1.00(73.83%)d0.35(26.17%)	0.000000382	2.206490081 Hartree
292	RY(18)C10 s(17.61%)p1.16(20.41%)d3.52(61.97%)	0.000001207	4.869862802 Hartree
293	RY(19)C10 s(0.00%)p1.00(20.78%)d3.81(79.22%)	0.000000012	1.908393965 Hartree
294	RY(20)C10 s(0.00%)p1.00(4.18%)d22.91(95.82%)	0.000000000	3.304413212 Hartree
295	RY(21)C10 s(0.00%)p1.00(94.90%)d0.05(5.10%)	0.000000781	1.034961094 Hartree
296	RY(22)C10 s(13.12%)p3.17(41.57%)d3.45(45.31%)	0.000000475	4.092212877 Hartree
297	RY(1)C11 s(0.50%)p99.99(88.01%)d23.03(11.49%)	0.005891554	1.367633673 Hartree
298	RY(2)C11 s(1.00%)p87.66(87.39%)d11.65(11.61%)	0.001765521	1.354589185 Hartree
299	RY(3)C11 s(0.00%)p1.00(85.96%)d0.16(14.04%)	0.001202121	0.460366638 Hartree
300	RY(4)C11 s(30.01%)p0.37(11.16%)d1.96(58.83%)	0.000655031	2.415349395 Hartree
301	RY(5)C11 s(0.00%)p1.00(8.22%)d11.17(91.78%)	0.000422631	2.230168559 Hartree
302	RY(6)C11 s(29.60%)p1.41(41.66%)d0.97(28.73%)	0.000305595	3.599217164 Hartree
303	RY(7)C11 s(1.53%)p13.93(21.29%)d50.51(77.19%)	0.000294333	2.886380969 Hartree
304	RY(8)C11 s(12.74%)p3.17(40.38%)d3.68(46.88%)	0.000163054	2.746825916 Hartree
305	RY(9)C11 s(3.63%)p9.88(35.89%)d16.66(60.48%)	0.000087386	2.401511397 Hartree
306	RY(10)C11 s(29.15%)p1.27(36.90%)d1.16(33.95%)	0.000075893	2.052725877 Hartree
307	RY(11)C11 s(23.83%)p1.61(38.28%)d1.59(37.89%)	0.000057151	3.418057303 Hartree
308	RY(12)C11 s(0.00%)p1.00(14.54%)d5.88(85.46%)	0.000049347	1.236169160 Hartree
309	RY(13)C11 s(1.54%)p17.13(26.46%)d46.62(72.00%)	0.000022633	3.646869385 Hartree
310	RY(14)C11 s(17.45%)p3.89(67.89%)d0.84(14.66%)	0.000013550	4.131784014 Hartree
311	RY(15)C11 s(0.00%)p1.00(53.06%)d0.88(46.94%)	0.000006219	0.898632611 Hartree
312	RY(16)C11 s(42.75%)p1.02(43.55%)d0.32(13.69%)	0.000006610	8.928490257 Hartree
313	RY(17)C11 s(80.39%)p0.15(12.31%)d0.09(7.30%)	0.000004994	3.033599810 Hartree
314	RY(18)C11 s(22.48%)p1.19(26.86%)d2.25(50.67%)	0.000003116	4.396451333 Hartree
315	RY(19)C11 s(0.00%)p1.00(3.86%)d24.89(96.14%)	0.000000000	3.237594254 Hartree
316	RY(20)C11 s(0.00%)p1.00(96.09%)d0.04(3.91%)	0.000000057	2.782374686 Hartree
317	RY(21)C11 s(0.00%)p1.00(38.32%)d1.61(61.68%)	0.000000427	1.803895037 Hartree
318	RY(22)C11 s(3.53%)p6.26(22.12%)d21.06(74.35%)	0.000001138	3.286473812 Hartree
319	RY(1)H12 s(98.74%)p0.01(1.26%)	0.000765712	1.340426933 Hartree
320	RY(2)H12 s(54.84%)p0.82(45.16%)	0.000311511	2.704244649 Hartree
321	RY(3)H12 s(0.00%)p1.00(100.00%)	0.000118054	1.843774045 Hartree
322	RY(4)H12 s(24.41%)p3.10(75.59%)	0.000075032	2.221370118 Hartree
323	RY(5)H12 s(22.09%)p3.53(77.91%)	0.000064386	2.257363086 Hartree
324	RY(1)H13 s(91.47%)p0.09(8.53%)	0.000880282	1.153536611 Hartree
325	RY(2)H13 s(58.96%)p0.70(41.04%)	0.000168301	2.511888600 Hartree
326	RY(3)H13 s(0.00%)p1.00(100.00%)	0.000139463	1.814106053 Hartree
327	RY(4)H13 s(1.43%)p68.75(98.57%)	0.000079734	2.281071420 Hartree
328	RY(5)H13 s(48.20%)p1.07(51.80%)	0.000019624	2.200891452 Hartree
329	RY(1)H14 s(88.52%)p0.13(11.48%)	0.000799039	1.212121471 Hartree
330	RY(2)H14 s(0.00%)p1.00(100.00%)	0.000136940	1.807894262 Hartree
331	RY(3)H14 s(61.44%)p0.63(38.56%)	0.000133388	2.404028879 Hartree
332	RY(4)H14 s(0.20%)p99.99(99.80%)	0.000072176	2.288688144 Hartree
333	RY(5)H14 s(49.90%)p1.00(50.10%)	0.000021122	2.169095782 Hartree
334	RY(1)H15 s(90.38%)p0.11(9.62%)	0.000967206	1.105810409 Hartree
335	RY(2)H15 s(59.34%)p0.69(40.66%)	0.000156056	2.494657904 Hartree
336	RY(3)H15 s(0.00%)p1.00(100.00%)	0.000141478	1.796884926 Hartree
337	RY(4)H15 s(0.33%)p99.99(99.67%)	0.000065185	2.261539292 Hartree
338	RY(5)H15 s(50.02%)p1.00(49.98%)	0.000022153	2.149957437 Hartree
339	RY(1)H16 s(95.36%)p0.05(4.64%)	0.000848897	0.951844607 Hartree
340	RY(2)H16 s(60.30%)p0.66(39.70%)	0.000231236	2.681220829 Hartree
341	RY(3)H16 s(0.00%)p1.00(100.00%)	0.000156835	1.809603010 Hartree
342	RY(4)H16 s(0.76%)p99.99(99.24%)	0.000065856	2.281116023 Hartree
343	RY(5)H16 s(43.65%)p1.29(56.35%)	0.000020559	2.174736782 Hartree
344	RY(1)H17 s(96.83%)p0.03(3.17%)	0.001303817	0.731594345 Hartree
345	RY(2)H17 s(2.86%)p33.97(97.14%)	0.000161631	2.201254270 Hartree
346	RY(3)H17 s(0.00%)p1.00(100.00%)	0.000148362	1.767925166 Hartree
347	RY(4)H17 s(54.23%)p0.84(45.77%)	0.000093551	2.728671083 Hartree
348	RY(5)H17 s(46.17%)p1.17(53.83%)	0.000028924	2.124399032 Hartree
349	RY(1)H18 s(95.02%)p0.05(4.98%)	0.001210898	0.946822012 Hartree
350	RY(2)H18 s(38.43%)p1.60(61.57%)	0.000158707	2.552850703 Hartree
351	RY(3)H18 s(0.00%)p1.00(100.00%)	0.000144950	1.774330883 Hartree
352	RY(4)H18 s(27.07%)p2.69(72.93%)	0.000066963	2.411443674 Hartree
353	RY(5)H18 s(39.57%)p1.53(60.43%)	0.000036005	2.098093662 Hartree
354	RY(1)O19 s(1.28%)p74.78(95.97%)d2.14(2.75%)	0.001863113	0.937188963 Hartree
355	RY(2)O19 s(0.00%)p1.00(98.87%)d0.01(1.13%)	0.001812597	0.450461629 Hartree
356	RY(3)O19 s(10.26%)p7.97(81.79%)d0.78(7.95%)	0.000309699	1.597468644 Hartree
357	RY(4)O19 s(82.29%)p0.13(10.65%)d0.09(7.06%)	0.000169293	3.451927933 Hartree
358	RY(5)O19 s(6.83%)p7.17(49.00%)d6.46(44.17%)	0.000163370	2.140181431 Hartree
359	RY(6)O19 s(0.00%)p1.00(21.24%)d3.71(78.76%)	0.000091472	1.557302941 Hartree
360	RY(7)O19 s(5.34%)p8.58(45.82%)d9.14(48.84%)	0.000084052	2.120100635 Hartree
361	RY(8)O19 s(3.21%)p21.26(68.36%)d8.84(28.43%)	0.000059139	2.125948763 Hartree
362	RY(9)O19 s(31.86%)p0.88(28.01%)d1.26(40.13%)	0.000033116	2.633797048 Hartree
363	RY(10)O19 s(31.70%)p0.56(17.85%)d1.59(50.45%)	0.000023947	2.512124268 Hartree
364	RY(11)O19 s(0.00%)p1.00(69.06%)d0.45(30.94%)	0.000020467	1.588168174 Hartree
365	RY(12)O19 s(1.61%)p16.11(25.97%)d44.92(72.42%)	0.000008662	3.234473880 Hartree
366	RY(13)O19 s(8.50%)p8.68(73.84%)d2.08(17.65%)	0.000002968	4.889619906 Hartree
367	RY(14)O19 s(0.00%)p1.00(10.59%)d8.44(89.41%)	0.000001502	2.154190925 Hartree
368	RY(15)O19 s(0.00%)p1.00(58.66%)d0.70(41.34%)	0.000000000	5.349048424 Hartree
369	RY(16)O19 s(45.47%)p0.06(2.81%)d1.14(51.73%)	0.000000020	25.080208234 Hartree
370	RY(17)O19 s(0.00%)p1.00(19.67%)d4.08(80.33%)	0.000000002	6.369843326 Hartree
371	RY(18)O19 s(0.00%)p1.00(22.26%)d3.49(77.74%)	0.000000200	6.228024443 Hartree
372	RY(19)O19 s(3.02%)p18.72(56.45%)d13.44(40.53%)	0.000000915	6.172197422 Hartree
373	RY(20)O19 s(6.76%)p0.52(3.50%)d13.28(89.75%)	0.000000050	9.208039451 Hartree
374	RY(21)O19 s(24.99%)p0.73(18.30%)d2.27(56.71%)	0.000000825	9.625874755 Hartree
375	RY(22)O19 s(36.93%)p0.61(22.45%)d1.10(40.62%)	0.000000515	19.375922473 Hartree
376	RY(1)C20 s(6.32%)p14.12(89.28%)d0.70(4.40%)	0.001964228	0.848691563 Hartree
377	RY(2)C20 s(0.00%)p1.00(82.47%)d0.21(17.53%)	0.000805953	0.867318335 Hartree
378	RY(3)C20 s(32.45%)p1.79(58.15%)d0.29(9.40%)	0.000248385	5.503059988 Hartree
379	RY(4)C20 s(57.95%)p0.24(13.79%)d0.49(28.25%)	0.000105922	3.405922701 Hartree
380	RY(5)C20 s(8.48%)p5.58(47.30%)d5.22(44.22%)	0.000074799	2.153119771 Hartree
381	RY(6)C20 s(0.00%)p1.00(5.83%)d16.15(94.17%)	0.000045691	1.792349893 Hartree
382	RY(7)C20 s(9.10%)p1.70(15.47%)d8.29(75.43%)	0.000024182	1.486738413 Hartree
383	RY(8)C20 s(23.39%)p1.43(33.50%)d1.84(43.11%)	0.000008288	1.755623893 Hartree
384	RY(9)C20 s(0.00%)p1.00(16.15%)d5.19(83.85%)	0.000008900	1.130128846 Hartree
385	RY(10)C20 s(32.75%)p1.28(41.77%)d0.78(25.48%)	0.000003264	6.167741892 Hartree
386	RY(11)C20 s(0.00%)p1.00(18.06%)d4.54(81.94%)	0.000002334	2.538741295 Hartree
387	RY(12)C20 s(25.36%)p0.67(17.10%)d2.27(57.54%)	0.000002401	1.473774136 Hartree
388	RY(13)C20 s(32.43%)p1.53(49.66%)d0.55(17.92%)	0.000000585	1.472748694 Hartree
389	RY(14)C20 s(5.82%)p7.15(41.59%)d9.04(52.59%)	0.000000013	3.903608713 Hartree
390	RY(15)C20 s(0.00%)p1.00(80.53%)d0.24(19.47%)	0.000000312	0.621754563 Hartree
391	RY(16)C20 s(0.00%)p1.00(93.77%)d0.07(6.23%)	0.000000007	3.367635275 Hartree
392	RY(17)C20 s(3.69%)p12.82(47.29%)d13.29(49.02%)	0.000000019	3.543455761 Hartree
393	RY(18)C20 s(20.01%)p2.90(58.03%)d1.10(21.96%)	0.000000196	3.681179979 Hartree
394	RY(19)C20 s(28.77%)p1.45(41.66%)d1.03(29.57%)	0.000001196	4.311458625 Hartree
395	RY(20)C20 s(0.00%)p1.00(3.33%)d29.07(96.67%)	0.000000001	3.317156188 Hartree
396	RY(21)C20 s(0.42%)p1.22(0.52%)d99.99(99.06%)	0.000000007	3.667175250 Hartree
397	RY(22)C20 s(13.02%)p3.47(45.23%)d3.21(41.75%)	0.000000165	3.741064956 Hartree
398	RY(1)H21 s(95.95%)p0.04(4.05%)	0.000616583	0.504481952 Hartree
399	RY(2)H21 s(33.19%)p2.01(66.81%)	0.000085765	2.147761125 Hartree
400	RY(3)H21 s(50.80%)p0.97(49.20%)	0.000038090	2.322399519 Hartree
401	RY(4)H21 s(0.00%)p1.00(100.00%)	0.000035399	1.862022328 Hartree
402	RY(5)H21 s(20.11%)p3.97(79.89%)	0.000011045	2.210068895 Hartree
403	RY(1)H22 s(98.85%)p0.01(1.15%)	0.001132626	0.551636650 Hartree
404	RY(2)H22 s(65.47%)p0.53(34.53%)	0.000099196	2.451152319 Hartree
405	RY(3)H22 s(1.98%)p49.53(98.02%)	0.000073757	1.972453965 Hartree
406	RY(4)H22 s(0.71%)p99.99(99.29%)	0.000033111	2.055006709 Hartree
407	RY(5)H22 s(33.04%)p2.03(66.96%)	0.000013284	2.096577335 Hartree
408	RY(1)H23 s(98.85%)p0.01(1.15%)	0.001132626	0.551636650 Hartree
409	RY(2)H23 s(65.47%)p0.53(34.53%)	0.000099196	2.451152319 Hartree
410	RY(3)H23 s(1.98%)p49.53(98.02%)	0.000073757	1.972453965 Hartree
411	RY(4)H23 s(0.71%)p99.99(99.29%)	0.000033111	2.055006709 Hartree
412	RY(5)H23 s(33.04%)p2.03(66.96%)	0.000013284	2.096577335 Hartree
413	RY(1)H24 s(98.41%)p0.02(1.59%)	0.001340769	0.527594275 Hartree
414	RY(2)H24 s(35.52%)p1.82(64.48%)	0.000174073	2.125597645 Hartree
415	RY(3)H24 s(15.34%)p5.52(84.66%)	0.000075379	2.432206994 Hartree
416	RY(4)H24 s(6.53%)p14.31(93.47%)	0.000025723	2.196052136 Hartree
417	RY(5)H24 s(44.29%)p1.26(55.71%)	0.000023433	2.157769542 Hartree
418	RY(1)H25 s(98.41%)p0.02(1.59%)	0.001340769	0.527594275 Hartree
419	RY(2)H25 s(35.52%)p1.82(64.48%)	0.000174073	2.125597645 Hartree
420	RY(3)H25 s(15.34%)p5.52(84.66%)	0.000075379	2.432206994 Hartree
421	RY(4)H25 s(6.53%)p14.31(93.47%)	0.000025723	2.196052136 Hartree
422	RY(5)H25 s(44.29%)p1.26(55.71%)	0.000023433	2.157769541 Hartree
423			********** Hartree

Natural Bond Orbitals

Display Range		- / 423
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	CR(1)C1	674	1.999986367	-10.228493552 Hartree
2	CR(1)O2	675	1.999995477	-19.166483431 Hartree
3	CR(1)C3	676	1.999985004	-10.302138190 Hartree
4	CR(1)C4	677	1.999985206	-10.187069769 Hartree
5	CR(1)C5	678	1.999985377	-10.203721189 Hartree
6	CR(1)C6	679	1.999986543	-10.193323373 Hartree
7	CR(1)C7	680	1.999986747	-10.183957582 Hartree
8	CR(1)C8	681	1.999986857	-10.180242153 Hartree
9	CR(1)C9	682	1.999987140	-10.182777678 Hartree
10	CR(1)C10	683	1.999987057	-10.177236721 Hartree
11	CR(1)C11	684	1.999986230	-10.172628702 Hartree
12	CR(1)O19	685	1.999994854	-19.109518288 Hartree
13	CR(1)C20	686	1.999987503	-10.170257161 Hartree
14	LP(1)O2	687	1.968182957	-0.509505076 Hartree
15	LP(2)O2	688	1.793863909	-0.327463792 Hartree
16	LP(1)O19	689	1.975744471	-0.563528399 Hartree
17	LP(2)O19	690	1.851541725	-0.268655779 Hartree
18	BD(1)C1-O2	691, 692	1.989168660	-0.726463448 Hartree
19	BD(1)C1-C20	693, 694	1.990307807	-0.555250181 Hartree
20	BD(1)C1-H24	695, 696	1.985120949	-0.489143665 Hartree
21	BD(1)C1-H25	697, 698	1.985120949	-0.489143665 Hartree
22	BD(1)O2-C3	699, 700	1.991876989	-0.807727863 Hartree
23	BD(1)C3-C4	701, 702	1.977592308	-0.601594000 Hartree
24	BD(1)C3-O19	703, 704	1.995377774	-0.919953535 Hartree
25	BD(2)C3-O19	705, 706	1.982380782	-0.386138081 Hartree
26	BD(1)C4-C5	707, 708	1.980579532	-0.635126209 Hartree
27	BD(2)C4-C5	709, 710	1.862491601	-0.281768241 Hartree
28	BD(1)C4-H18	711, 712	1.971686386	-0.481281314 Hartree
29	BD(1)C5-C6	713, 714	1.976517965	-0.577810951 Hartree
30	BD(1)C5-H17	715, 716	1.970818206	-0.480434774 Hartree
31	BD(1)C6-C7	717, 718	1.972999889	-0.586527413 Hartree
32	BD(2)C6-C7	719, 720	1.617114304	-0.251070198 Hartree
33	BD(1)C6-C11	721, 722	1.972101290	-0.585241962 Hartree
34	BD(1)C7-C8	723, 724	1.978118952	-0.599112292 Hartree
35	BD(1)C7-H16	725, 726	1.980729623	-0.488403075 Hartree
36	BD(1)C8-C9	727, 728	1.978292345	-0.596258377 Hartree
37	BD(2)C8-C9	729, 730	1.646805313	-0.255289912 Hartree
38	BD(1)C8-H15	731, 732	1.980532603	-0.486435729 Hartree
39	BD(1)C9-C10	733, 734	1.979361120	-0.595051257 Hartree
40	BD(1)C9-H14	735, 736	1.981252751	-0.487242557 Hartree
41	BD(1)C10-C11	737, 738	1.977773097	-0.590490310 Hartree
42	BD(2)C10-C11	739, 740	1.649347271	-0.249854359 Hartree
43	BD(1)C10-H13	741, 742	1.980661944	-0.481135808 Hartree
44	BD(1)C11-H12	743, 744	1.978109933	-0.469236668 Hartree
45	BD(1)C20-H21	745, 746	1.982029173	-0.475847177 Hartree
46	BD(1)C20-H22	747, 748	1.988446588	-0.474423166 Hartree
47	BD(1)C20-H23	749, 750	1.988446588	-0.474423166 Hartree
48	BD*(1)C1-O2		0.031399166	0.256233687 Hartree
49	BD*(1)C1-C20		0.006970460	0.384406704 Hartree
50	BD*(1)C1-H24		0.021319646	0.389062743 Hartree
51	BD*(1)C1-H25		0.021319646	0.389062743 Hartree
52	BD*(1)O2-C3		0.099807388	0.354769609 Hartree
53	BD*(1)C3-C4		0.060280847	0.428390188 Hartree
54	BD*(1)C3-O19		0.021810699	0.608436154 Hartree
55	BD*(2)C3-O19		0.279820761	0.003368532 Hartree
56	BD*(1)C4-C5		0.012635518	0.618662670 Hartree
57	BD*(2)C4-C5		0.123065321	0.032352139 Hartree
58	BD*(1)C4-H18		0.012590422	0.425885546 Hartree
59	BD*(1)C5-C6		0.028009885	0.479791515 Hartree
60	BD*(1)C5-H17		0.012876358	0.408857929 Hartree
61	BD*(1)C6-C7		0.021562367	0.548479107 Hartree
62	BD*(2)C6-C7		0.388409019	0.024237221 Hartree
63	BD*(1)C6-C11		0.025664080	0.559259798 Hartree
64	BD*(1)C7-C8		0.014364909	0.576172522 Hartree
65	BD*(1)C7-H16		0.014696091	0.421440341 Hartree
66	BD*(1)C8-C9		0.016033555	0.567148637 Hartree
67	BD*(2)C8-C9		0.333437967	0.025645460 Hartree
68	BD*(1)C8-H15		0.014340190	0.424462180 Hartree
69	BD*(1)C9-C10		0.016141436	0.568323234 Hartree
70	BD*(1)C9-H14		0.014247530	0.426740118 Hartree
71	BD*(1)C10-C11		0.014725785	0.581767478 Hartree
72	BD*(2)C10-C11		0.284842344	0.034849934 Hartree
73	BD*(1)C10-H13		0.014571555	0.430507135 Hartree
74	BD*(1)C11-H12		0.021013230	0.474234433 Hartree
75	BD*(1)C20-H21		0.004217966	0.390731689 Hartree
76	BD*(1)C20-H22		0.008408425	0.395948954 Hartree
77	BD*(1)C20-H23		0.008408425	0.395948954 Hartree
78	RY(1)C1	751	0.002892916	1.177703836 Hartree
79	RY(2)C1	752	0.001648367	1.448475404 Hartree
80	RY(3)C1	753	0.001405495	1.067657886 Hartree
81	RY(4)C1	754	0.001009165	1.660492109 Hartree
82	RY(5)C1	755	0.000674416	1.546385925 Hartree
83	RY(6)C1	756	0.000619535	1.818679292 Hartree
84	RY(7)C1	757	0.000249178	4.763162875 Hartree
85	RY(8)C1	758	0.000088708	3.461969015 Hartree
86	RY(9)C1	759	0.000049508	1.741444024 Hartree
87	RY(10)C1	760	0.000038323	4.453231429 Hartree
88	RY(11)C1	761	0.000030966	2.393751874 Hartree
89	RY(12)C1	762	0.000012737	2.479510879 Hartree
90	RY(13)C1	763	0.000005430	2.901769618 Hartree
91	RY(14)C1	764	0.000002755	1.709766435 Hartree
92	RY(15)C1	765	0.000000185	2.724311741 Hartree
93	RY(16)C1	766	0.000000437	6.028741513 Hartree
94	RY(17)C1	767	0.000001302	5.953650700 Hartree
95	RY(18)C1	768	0.000000218	2.025072236 Hartree
96	RY(19)C1	769	0.000000058	1.413814479 Hartree
97	RY(20)C1	770	0.000000000	3.347862993 Hartree
98	RY(21)C1	771	0.000000314	3.561576876 Hartree
99	RY(22)C1	772	0.000000055	4.890669906 Hartree
100	RY(1)O2	773	0.004548263	0.848251155 Hartree
101	RY(2)O2	774	0.003229872	0.571304450 Hartree
102	RY(3)O2	775	0.002474302	1.548100119 Hartree
103	RY(4)O2	776	0.000580926	1.870017736 Hartree
104	RY(5)O2	777	0.000385110	1.929960232 Hartree
105	RY(6)O2	778	0.000228636	2.594314290 Hartree
106	RY(7)O2	779	0.000175933	2.201930305 Hartree
107	RY(8)O2	780	0.000146107	2.551655076 Hartree
108	RY(9)O2	781	0.000059656	1.867711426 Hartree
109	RY(10)O2	782	0.000040548	2.506770723 Hartree
110	RY(11)O2	783	0.000031729	2.030442802 Hartree
111	RY(12)O2	784	0.000019600	2.742802605 Hartree
112	RY(13)O2	785	0.000007018	5.428946360 Hartree
113	RY(14)O2	786	0.000003407	5.088020405 Hartree
114	RY(15)O2	787	0.000003314	4.398115308 Hartree
115	RY(16)O2	788	0.000000195	6.697024292 Hartree
116	RY(17)O2	789	0.000000009	46.468854793 Hartree
117	RY(18)O2	790	0.000000774	4.788192641 Hartree
118	RY(19)O2	791	0.000001634	2.714001414 Hartree
119	RY(20)O2	792	0.000000000	6.678562051 Hartree
120	RY(21)O2	793	0.000000008	5.018303041 Hartree
121	RY(22)O2	794	0.000000087	8.302608989 Hartree
122	RY(1)C3	795	0.017358652	1.133288517 Hartree
123	RY(2)C3	796	0.005564026	1.281571476 Hartree
124	RY(3)C3	797	0.003274514	2.681613231 Hartree
125	RY(4)C3	798	0.002817185	2.146558525 Hartree
126	RY(5)C3	799	0.001112263	1.539055474 Hartree
127	RY(6)C3	800	0.001065972	4.096001723 Hartree
128	RY(7)C3	801	0.000532758	2.111252732 Hartree
129	RY(8)C3	802	0.000516825	3.692961991 Hartree
130	RY(9)C3	803	0.000309058	1.570061089 Hartree
131	RY(10)C3	804	0.000135061	4.911972004 Hartree
132	RY(11)C3	805	0.000128999	0.818085214 Hartree
133	RY(12)C3	806	0.000035042	2.094414033 Hartree
134	RY(13)C3	807	0.000032590	1.667497814 Hartree
135	RY(14)C3	808	0.000021072	2.407889646 Hartree
136	RY(15)C3	809	0.000007975	2.628760108 Hartree
137	RY(16)C3	810	0.000006757	1.496904824 Hartree
138	RY(17)C3	811	0.000005280	2.820450920 Hartree
139	RY(18)C3	812	0.000003540	5.065836339 Hartree
140	RY(19)C3	813	0.000001586	4.011210918 Hartree
141	RY(20)C3	814	0.000001005	3.095604286 Hartree
142	RY(21)C3	815	0.000000652	2.613530724 Hartree
143	RY(22)C3	816	0.000000036	2.567021670 Hartree
144	RY(1)C4	817	0.006307254	1.177176886 Hartree
145	RY(2)C4	818	0.002339257	0.994528138 Hartree
146	RY(3)C4	819	0.001657962	0.409889957 Hartree
147	RY(4)C4	820	0.000823066	3.087744859 Hartree
148	RY(5)C4	821	0.000338804	2.226894840 Hartree
149	RY(6)C4	822	0.000227662	3.808911109 Hartree
150	RY(7)C4	823	0.000191449	1.741365597 Hartree
151	RY(8)C4	824	0.000133856	2.852715357 Hartree
152	RY(9)C4	825	0.000114015	2.012455650 Hartree
153	RY(10)C4	826	0.000070679	2.734492290 Hartree
154	RY(11)C4	827	0.000025874	2.582264941 Hartree
155	RY(12)C4	828	0.000022680	1.748427949 Hartree
156	RY(13)C4	829	0.000015518	3.940250748 Hartree
157	RY(14)C4	830	0.000010771	0.777306226 Hartree
158	RY(15)C4	831	0.000010470	2.261328710 Hartree
159	RY(16)C4	832	0.000006325	3.475614556 Hartree
160	RY(17)C4	833	0.000005909	1.469225191 Hartree
161	RY(18)C4	834	0.000002005	4.471802048 Hartree
162	RY(19)C4	835	0.000000520	17.949398266 Hartree
163	RY(20)C4	836	0.000000771	2.772913246 Hartree
164	RY(21)C4	837	0.000000055	3.335145786 Hartree
165	RY(1)C5	838	0.008976404	1.069568477 Hartree
166	RY(2)C5	839	0.001361121	1.750077097 Hartree
167	RY(3)C5	840	0.001014904	1.249866683 Hartree
168	RY(4)C5	841	0.000341293	2.649404923 Hartree
169	RY(5)C5	842	0.000327063	3.617365136 Hartree
170	RY(6)C5	843	0.000230764	1.683489998 Hartree
171	RY(7)C5	844	0.000196809	4.433107535 Hartree
172	RY(8)C5	845	0.000180550	0.848540489 Hartree
173	RY(9)C5	846	0.000137062	1.331320076 Hartree
174	RY(10)C5	847	0.000058507	2.146305658 Hartree
175	RY(11)C5	848	0.000048968	3.881519673 Hartree
176	RY(12)C5	849	0.000021490	7.936586642 Hartree
177	RY(13)C5	850	0.000016431	4.201330248 Hartree
178	RY(14)C5	851	0.000011081	2.452574776 Hartree
179	RY(15)C5	852	0.000009489	3.909868797 Hartree
180	RY(16)C5	853	0.000005554	4.236521277 Hartree
181	RY(17)C5	854	0.000003813	2.753169605 Hartree
182	RY(18)C5	855	0.000003209	5.985049590 Hartree
183	RY(19)C5	856	0.000000903	0.503652092 Hartree
184	RY(20)C5	857	0.000001451	4.827633602 Hartree
185	RY(21)C5	858	0.000000040	2.971809371 Hartree
186	RY(22)C5	859	0.000000000	3.205208739 Hartree
187	RY(1)C6	860	0.008041150	1.265258055 Hartree
188	RY(2)C6	861	0.004165004	1.774893600 Hartree
189	RY(3)C6	862	0.001036662	0.692059371 Hartree
190	RY(4)C6	863	0.000734137	2.396876971 Hartree
191	RY(5)C6	864	0.000539134	3.353249435 Hartree
192	RY(6)C6	865	0.000507679	2.244911515 Hartree
193	RY(7)C6	866	0.000401888	2.677467356 Hartree
194	RY(8)C6	867	0.000386305	1.483872295 Hartree
195	RY(9)C6	868	0.000250308	3.834334967 Hartree
196	RY(10)C6	869	0.000133113	2.951126080 Hartree
197	RY(11)C6	870	0.000092787	1.880146411 Hartree
198	RY(12)C6	871	0.000051218	3.527597435 Hartree
199	RY(13)C6	872	0.000035215	3.778820607 Hartree
200	RY(14)C6	873	0.000021383	5.129338699 Hartree
201	RY(15)C6	874	0.000008173	3.287388272 Hartree
202	RY(16)C6	875	0.000007734	0.874352000 Hartree
203	RY(17)C6	876	0.000004568	2.264727663 Hartree
204	RY(18)C6	877	0.000000683	2.090337747 Hartree
205	RY(19)C6	878	0.000001250	3.407213666 Hartree
206	RY(20)C6	879	0.000001892	4.235845804 Hartree
207	RY(21)C6	880	0.000000033	2.809001141 Hartree
208	RY(22)C6	881	0.000000000	2.846188762 Hartree
209	RY(1)C7	882	0.006226957	1.383875734 Hartree
210	RY(2)C7	883	0.001724391	1.056601793 Hartree
211	RY(3)C7	884	0.001164829	0.555757600 Hartree
212	RY(4)C7	885	0.000712503	2.356778831 Hartree
213	RY(5)C7	886	0.000549842	1.852066303 Hartree
214	RY(6)C7	887	0.000388956	2.131152550 Hartree
215	RY(7)C7	888	0.000194301	3.152717099 Hartree
216	RY(8)C7	889	0.000140209	2.122780440 Hartree
217	RY(9)C7	890	0.000072821	0.951448219 Hartree
218	RY(10)C7	891	0.000040015	2.010463572 Hartree
219	RY(11)C7	892	0.000031044	7.136749530 Hartree
220	RY(12)C7	893	0.000014457	1.526389843 Hartree
221	RY(13)C7	894	0.000011802	5.954330210 Hartree
222	RY(14)C7	895	0.000006822	6.146864221 Hartree
223	RY(15)C7	896	0.000005285	5.947568420 Hartree
224	RY(16)C7	897	0.000003414	3.791173638 Hartree
225	RY(17)C7	898	0.000001373	0.664090735 Hartree
226	RY(18)C7	899	0.000000314	2.486613747 Hartree
227	RY(19)C7	900	0.000000035	2.685685376 Hartree
228	RY(20)C7	901	0.000000000	3.276630722 Hartree
229	RY(21)C7	902	0.000000588	3.433258858 Hartree
230	RY(22)C7	903	0.000001461	3.315920838 Hartree
231	RY(1)C8	904	0.006231011	1.389433352 Hartree
232	RY(2)C8	905	0.001504872	1.401883799 Hartree
233	RY(3)C8	906	0.001006630	0.409452136 Hartree
234	RY(4)C8	907	0.000508090	2.255841070 Hartree
235	RY(5)C8	908	0.000408184	2.595000346 Hartree
236	RY(6)C8	909	0.000324112	2.593446640 Hartree
237	RY(7)C8	910	0.000094239	2.940877117 Hartree
238	RY(8)C8	911	0.000051866	1.917945913 Hartree
239	RY(9)C8	912	0.000038113	2.388789141 Hartree
240	RY(10)C8	913	0.000014643	4.679641585 Hartree
241	RY(11)C8	914	0.000010004	3.208792254 Hartree
242	RY(12)C8	915	0.000008603	3.724252869 Hartree
243	RY(13)C8	916	0.000007521	1.000922145 Hartree
244	RY(14)C8	917	0.000005076	4.448332020 Hartree
245	RY(15)C8	918	0.000002137	2.607799668 Hartree
246	RY(16)C8	919	0.000000560	0.702813362 Hartree
247	RY(17)C8	920	0.000000332	2.620495582 Hartree
248	RY(18)C8	921	0.000000000	2.822807896 Hartree
249	RY(19)C8	922	0.000000000	3.112126188 Hartree
250	RY(20)C8	923	0.000000041	1.837045324 Hartree
251	RY(21)C8	924	0.000000258	12.818764747 Hartree
252	RY(22)C8	925	0.000000882	5.801082829 Hartree
253	RY(1)C9	926	0.006114457	1.388567981 Hartree
254	RY(2)C9	927	0.001460567	1.320923191 Hartree
255	RY(3)C9	928	0.001111725	0.407537152 Hartree
256	RY(4)C9	929	0.000517545	2.139841258 Hartree
257	RY(5)C9	930	0.000419217	2.520100544 Hartree
258	RY(6)C9	931	0.000382604	2.329263828 Hartree
259	RY(7)C9	932	0.000084710	3.415582123 Hartree
260	RY(8)C9	933	0.000040230	1.981493742 Hartree
261	RY(9)C9	934	0.000031812	2.048875238 Hartree
262	RY(10)C9	935	0.000023651	3.019673156 Hartree
263	RY(11)C9	936	0.000012452	3.238483102 Hartree
264	RY(12)C9	937	0.000006414	4.031327803 Hartree
265	RY(13)C9	938	0.000002022	0.809808607 Hartree
266	RY(14)C9	939	0.000002368	2.291924416 Hartree
267	RY(15)C9	940	0.000000004	1.633229438 Hartree
268	RY(16)C9	941	0.000000989	3.384713862 Hartree
269	RY(17)C9	942	0.000000093	17.282541878 Hartree
270	RY(18)C9	943	0.000000294	2.733427461 Hartree
271	RY(19)C9	944	0.000000084	2.058934406 Hartree
272	RY(20)C9	945	0.000000196	1.673364567 Hartree
273	RY(21)C9	946	0.000000000	3.308135669 Hartree
274	RY(22)C9	947	0.000000439	2.687724052 Hartree
275	RY(1)C10	948	0.006208515	1.373338103 Hartree
276	RY(2)C10	949	0.001471638	1.358031788 Hartree
277	RY(3)C10	950	0.000890961	0.398322587 Hartree
278	RY(4)C10	951	0.000553414	2.182591671 Hartree
279	RY(5)C10	952	0.000424426	2.324798304 Hartree
280	RY(6)C10	953	0.000339260	2.895910343 Hartree
281	RY(7)C10	954	0.000094836	2.217290988 Hartree
282	RY(8)C10	955	0.000043228	1.777250396 Hartree
283	RY(9)C10	956	0.000037335	3.387970165 Hartree
284	RY(10)C10	957	0.000018860	3.773146385 Hartree
285	RY(11)C10	958	0.000012498	2.985632361 Hartree
286	RY(12)C10	959	0.000010341	1.313158831 Hartree
287	RY(13)C10	960	0.000007324	4.739990919 Hartree
288	RY(14)C10	961	0.000005512	3.194703696 Hartree
289	RY(15)C10	962	0.000002683	4.511287794 Hartree
290	RY(16)C10	963	0.000003321	7.195509893 Hartree
291	RY(17)C10	964	0.000000382	2.206490081 Hartree
292	RY(18)C10	965	0.000001207	4.869862802 Hartree
293	RY(19)C10	966	0.000000012	1.908393965 Hartree
294	RY(20)C10	967	0.000000000	3.304413212 Hartree
295	RY(21)C10	968	0.000000781	1.034961094 Hartree
296	RY(22)C10	969	0.000000475	4.092212877 Hartree
297	RY(1)C11	970	0.005891554	1.367633673 Hartree
298	RY(2)C11	971	0.001765521	1.354589185 Hartree
299	RY(3)C11	972	0.001202121	0.460366638 Hartree
300	RY(4)C11	973	0.000655031	2.415349395 Hartree
301	RY(5)C11	974	0.000422631	2.230168559 Hartree
302	RY(6)C11	975	0.000305595	3.599217164 Hartree
303	RY(7)C11	976	0.000294333	2.886380969 Hartree
304	RY(8)C11	977	0.000163054	2.746825916 Hartree
305	RY(9)C11	978	0.000087386	2.401511397 Hartree
306	RY(10)C11	979	0.000075893	2.052725877 Hartree
307	RY(11)C11	980	0.000057151	3.418057303 Hartree
308	RY(12)C11	981	0.000049347	1.236169160 Hartree
309	RY(13)C11	982	0.000022633	3.646869385 Hartree
310	RY(14)C11	983	0.000013550	4.131784014 Hartree
311	RY(15)C11	984	0.000006219	0.898632611 Hartree
312	RY(16)C11	985	0.000006610	8.928490257 Hartree
313	RY(17)C11	986	0.000004994	3.033599810 Hartree
314	RY(18)C11	987	0.000003116	4.396451333 Hartree
315	RY(19)C11	988	0.000000000	3.237594254 Hartree
316	RY(20)C11	989	0.000000057	2.782374686 Hartree
317	RY(21)C11	990	0.000000427	1.803895037 Hartree
318	RY(22)C11	991	0.000001138	3.286473812 Hartree
319	RY(1)H12	992	0.000765712	1.340426933 Hartree
320	RY(2)H12	993	0.000311511	2.704244649 Hartree
321	RY(3)H12	994	0.000118054	1.843774045 Hartree
322	RY(4)H12	995	0.000075032	2.221370118 Hartree
323	RY(5)H12	996	0.000064386	2.257363086 Hartree
324	RY(1)H13	997	0.000880282	1.153536611 Hartree
325	RY(2)H13	998	0.000168301	2.511888600 Hartree
326	RY(3)H13	999	0.000139463	1.814106053 Hartree
327	RY(4)H13	1000	0.000079734	2.281071420 Hartree
328	RY(5)H13	1001	0.000019624	2.200891452 Hartree
329	RY(1)H14	1002	0.000799039	1.212121471 Hartree
330	RY(2)H14	1003	0.000136940	1.807894262 Hartree
331	RY(3)H14	1004	0.000133388	2.404028879 Hartree
332	RY(4)H14	1005	0.000072176	2.288688144 Hartree
333	RY(5)H14	1006	0.000021122	2.169095782 Hartree
334	RY(1)H15	1007	0.000967206	1.105810409 Hartree
335	RY(2)H15	1008	0.000156056	2.494657904 Hartree
336	RY(3)H15	1009	0.000141478	1.796884926 Hartree
337	RY(4)H15	1010	0.000065185	2.261539292 Hartree
338	RY(5)H15	1011	0.000022153	2.149957437 Hartree
339	RY(1)H16	1012	0.000848897	0.951844607 Hartree
340	RY(2)H16	1013	0.000231236	2.681220829 Hartree
341	RY(3)H16	1014	0.000156835	1.809603010 Hartree
342	RY(4)H16	1015	0.000065856	2.281116023 Hartree
343	RY(5)H16	1016	0.000020559	2.174736782 Hartree
344	RY(1)H17	1017	0.001303817	0.731594345 Hartree
345	RY(2)H17	1018	0.000161631	2.201254270 Hartree
346	RY(3)H17	1019	0.000148362	1.767925166 Hartree
347	RY(4)H17	1020	0.000093551	2.728671083 Hartree
348	RY(5)H17	1021	0.000028924	2.124399032 Hartree
349	RY(1)H18	1022	0.001210898	0.946822012 Hartree
350	RY(2)H18	1023	0.000158707	2.552850703 Hartree
351	RY(3)H18	1024	0.000144950	1.774330883 Hartree
352	RY(4)H18	1025	0.000066963	2.411443674 Hartree
353	RY(5)H18	1026	0.000036005	2.098093662 Hartree
354	RY(1)O19	1027	0.001863113	0.937188963 Hartree
355	RY(2)O19	1028	0.001812597	0.450461629 Hartree
356	RY(3)O19	1029	0.000309699	1.597468644 Hartree
357	RY(4)O19	1030	0.000169293	3.451927933 Hartree
358	RY(5)O19	1031	0.000163370	2.140181431 Hartree
359	RY(6)O19	1032	0.000091472	1.557302941 Hartree
360	RY(7)O19	1033	0.000084052	2.120100635 Hartree
361	RY(8)O19	1034	0.000059139	2.125948763 Hartree
362	RY(9)O19	1035	0.000033116	2.633797048 Hartree
363	RY(10)O19	1036	0.000023947	2.512124268 Hartree
364	RY(11)O19	1037	0.000020467	1.588168174 Hartree
365	RY(12)O19	1038	0.000008662	3.234473880 Hartree
366	RY(13)O19	1039	0.000002968	4.889619906 Hartree
367	RY(14)O19	1040	0.000001502	2.154190925 Hartree
368	RY(15)O19	1041	0.000000000	5.349048424 Hartree
369	RY(16)O19	1042	0.000000020	25.080208234 Hartree
370	RY(17)O19	1043	0.000000002	6.369843326 Hartree
371	RY(18)O19	1044	0.000000200	6.228024443 Hartree
372	RY(19)O19	1045	0.000000915	6.172197422 Hartree
373	RY(20)O19	1046	0.000000050	9.208039451 Hartree
374	RY(21)O19	1047	0.000000825	9.625874755 Hartree
375	RY(22)O19	1048	0.000000515	19.375922473 Hartree
376	RY(1)C20	1049	0.001964228	0.848691563 Hartree
377	RY(2)C20	1050	0.000805953	0.867318335 Hartree
378	RY(3)C20	1051	0.000248385	5.503059988 Hartree
379	RY(4)C20	1052	0.000105922	3.405922701 Hartree
380	RY(5)C20	1053	0.000074799	2.153119771 Hartree
381	RY(6)C20	1054	0.000045691	1.792349893 Hartree
382	RY(7)C20	1055	0.000024182	1.486738413 Hartree
383	RY(8)C20	1056	0.000008288	1.755623893 Hartree
384	RY(9)C20	1057	0.000008900	1.130128846 Hartree
385	RY(10)C20	1058	0.000003264	6.167741892 Hartree
386	RY(11)C20	1059	0.000002334	2.538741295 Hartree
387	RY(12)C20	1060	0.000002401	1.473774136 Hartree
388	RY(13)C20	1061	0.000000585	1.472748694 Hartree
389	RY(14)C20	1062	0.000000013	3.903608713 Hartree
390	RY(15)C20	1063	0.000000312	0.621754563 Hartree
391	RY(16)C20	1064	0.000000007	3.367635275 Hartree
392	RY(17)C20	1065	0.000000019	3.543455761 Hartree
393	RY(18)C20	1066	0.000000196	3.681179979 Hartree
394	RY(19)C20	1067	0.000001196	4.311458625 Hartree
395	RY(20)C20	1068	0.000000001	3.317156188 Hartree
396	RY(21)C20	1069	0.000000007	3.667175250 Hartree
397	RY(22)C20	1070	0.000000165	3.741064956 Hartree
398	RY(1)H21	1071	0.000616583	0.504481952 Hartree
399	RY(2)H21	1072	0.000085765	2.147761125 Hartree
400	RY(3)H21	1073	0.000038090	2.322399519 Hartree
401	RY(4)H21	1074	0.000035399	1.862022328 Hartree
402	RY(5)H21	1075	0.000011045	2.210068895 Hartree
403	RY(1)H22	1076	0.001132626	0.551636650 Hartree
404	RY(2)H22	1077	0.000099196	2.451152319 Hartree
405	RY(3)H22	1078	0.000073757	1.972453965 Hartree
406	RY(4)H22	1079	0.000033111	2.055006709 Hartree
407	RY(5)H22	1080	0.000013284	2.096577335 Hartree
408	RY(1)H23	1081	0.001132626	0.551636650 Hartree
409	RY(2)H23	1082	0.000099196	2.451152319 Hartree
410	RY(3)H23	1083	0.000073757	1.972453965 Hartree
411	RY(4)H23	1084	0.000033111	2.055006709 Hartree
412	RY(5)H23	1085	0.000013284	2.096577335 Hartree
413	RY(1)H24	1086	0.001340769	0.527594275 Hartree
414	RY(2)H24	1087	0.000174073	2.125597645 Hartree
415	RY(3)H24	1088	0.000075379	2.432206994 Hartree
416	RY(4)H24	1089	0.000025723	2.196052136 Hartree
417	RY(5)H24	1090	0.000023433	2.157769542 Hartree
418	RY(1)H25	1091	0.001340769	0.527594275 Hartree
419	RY(2)H25	1092	0.000174073	2.125597645 Hartree
420	RY(3)H25	1093	0.000075379	2.432206994 Hartree
421	RY(4)H25	1094	0.000025723	2.196052136 Hartree
422	RY(5)H25	1095	0.000023433	2.157769541 Hartree
423		1095		********** Hartree

Quote

THE SCIENTIFIC THEORIST IS NOT TO BE ENVIED. FOR NATURE, OR MORE PRECISELY EXPERIMENT, IS AN INEXORABLE AND NOT VERY FRIENDLY JUDGE OF HIS WORK. IT NEVER SAYS "YES" TO A THEORY. IN THE MOST FAVORABLE CASES IT SAYS "MAYBE", AND IN THE GREAT MAJORITY OF CASES SIMPLY "NO"... PROBABLY EVERY THEORY WILL SOME DAY EXPERIENCE ITS "NO" - MOST THEORIES, SOON AFTER CONCEPTION. -- A.EINSTEIN, NOV 11, 1922.