WebMO Job Summary

Overview

Quantity	Value
Route	#N M062X/6-311+G(2d,p) SP GFINPUT POP=(FULL,NBO6Read) Geom=Connectivit
Stoichiometry	C₁₁H₁₆O
Symmetry	C1
Basis	6-311+G(2d,p)
RM062X Energy	-503.94836744 Hartree
Dipole Moment	1.3557 Debye
Server	batch (368852)
CPU time	2455.4 sec

Rotational Constants

Constant	Frequency (GHz)	Frequency (cm^-1)
a	1.2998080	0.04335692795
b	0.7004806	0.02336551775
c	0.5459325	0.01821034804

Partial Charges

Atom	Symbol	Charge
1	C	-0.658481
2	C	0.525069
3	C	-0.256031
4	C	0.357714
5	C	-0.235237
6	C	-0.261302
7	C	-0.162231
8	H	0.123126
9	H	0.119707
10	H	0.121109
11	C	-0.527970
12	H	0.175903
13	H	0.161896
14	H	0.182912
15	O	-0.311236
16	C	-0.169077
17	C	-0.138761
18	C	-0.670682
19	H	0.159083
20	H	0.154493
21	H	0.155292
22	H	0.163645
23	H	0.163006
24	H	0.157986
25	H	0.145565
26	H	0.162285
27	H	0.181323
28	H	0.180896

Molecular Orbitals

Display Range		- / 419
Orbital	Symmetry	Occupancy	Energy	Actions
1	-	2	-19.63377 Hartree
2	-	2	-10.58732 Hartree
3	-	2	-10.58617 Hartree
4	-	2	-10.54508 Hartree
5	-	2	-10.54371 Hartree
6	-	2	-10.53411 Hartree
7	-	2	-10.53347 Hartree
8	-	2	-10.53342 Hartree
9	-	2	-10.53285 Hartree
10	-	2	-10.53028 Hartree
11	-	2	-10.52932 Hartree
12	-	2	-10.52607 Hartree
13	-	2	-1.17458 Hartree
14	-	2	-0.96153 Hartree
15	-	2	-0.88993 Hartree
16	-	2	-0.88287 Hartree
17	-	2	-0.84849 Hartree
18	-	2	-0.79627 Hartree
19	-	2	-0.76876 Hartree
20	-	2	-0.75804 Hartree
21	-	2	-0.69384 Hartree
22	-	2	-0.66319 Hartree
23	-	2	-0.65482 Hartree
24	-	2	-0.59432 Hartree
25	-	2	-0.56405 Hartree
26	-	2	-0.55378 Hartree
27	-	2	-0.54179 Hartree
28	-	2	-0.51159 Hartree
29	-	2	-0.49805 Hartree
30	-	2	-0.48809 Hartree
31	-	2	-0.48073 Hartree
32	-	2	-0.47916 Hartree
33	-	2	-0.46814 Hartree
34	-	2	-0.46622 Hartree
35	-	2	-0.45121 Hartree
36	-	2	-0.43626 Hartree
37	-	2	-0.42856 Hartree
38	-	2	-0.42145 Hartree
39	-	2	-0.40771 Hartree
40	-	2	-0.40674 Hartree
41	-	2	-0.39950 Hartree
42	-	2	-0.38333 Hartree
43	-	2	-0.34339 Hartree
44	-	2	-0.29002 Hartree
45	-	2	-0.28340 Hartree
46	-	0	0.01243 Hartree
47	-	0	0.01857 Hartree
48	-	0	0.02060 Hartree
49	-	0	0.02301 Hartree
50	-	0	0.02856 Hartree
51	-	0	0.03156 Hartree
52	-	0	0.03796 Hartree
53	-	0	0.03890 Hartree
54	-	0	0.04894 Hartree
55	-	0	0.05184 Hartree
56	-	0	0.05352 Hartree
57	-	0	0.06447 Hartree
58	-	0	0.06698 Hartree
59	-	0	0.07692 Hartree
60	-	0	0.08029 Hartree
61	-	0	0.08154 Hartree
62	-	0	0.08707 Hartree
63	-	0	0.09102 Hartree
64	-	0	0.10152 Hartree
65	-	0	0.10381 Hartree
66	-	0	0.10695 Hartree
67	-	0	0.11724 Hartree
68	-	0	0.12773 Hartree
69	-	0	0.13223 Hartree
70	-	0	0.13482 Hartree
71	-	0	0.14563 Hartree
72	-	0	0.14788 Hartree
73	-	0	0.15553 Hartree
74	-	0	0.15695 Hartree
75	-	0	0.16219 Hartree
76	-	0	0.16516 Hartree
77	-	0	0.17460 Hartree
78	-	0	0.18176 Hartree
79	-	0	0.18275 Hartree
80	-	0	0.18541 Hartree
81	-	0	0.18934 Hartree
82	-	0	0.19732 Hartree
83	-	0	0.20008 Hartree
84	-	0	0.20851 Hartree
85	-	0	0.20981 Hartree
86	-	0	0.21459 Hartree
87	-	0	0.22209 Hartree
88	-	0	0.22373 Hartree
89	-	0	0.22724 Hartree
90	-	0	0.23257 Hartree
91	-	0	0.23639 Hartree
92	-	0	0.23912 Hartree
93	-	0	0.24558 Hartree
94	-	0	0.24793 Hartree
95	-	0	0.25245 Hartree
96	-	0	0.25928 Hartree
97	-	0	0.26226 Hartree
98	-	0	0.26370 Hartree
99	-	0	0.26779 Hartree
100	-	0	0.27371 Hartree
101	-	0	0.27748 Hartree
102	-	0	0.28264 Hartree
103	-	0	0.29053 Hartree
104	-	0	0.29385 Hartree
105	-	0	0.29928 Hartree
106	-	0	0.30479 Hartree
107	-	0	0.31389 Hartree
108	-	0	0.32021 Hartree
109	-	0	0.32297 Hartree
110	-	0	0.33652 Hartree
111	-	0	0.34047 Hartree
112	-	0	0.34681 Hartree
113	-	0	0.34922 Hartree
114	-	0	0.37595 Hartree
115	-	0	0.38540 Hartree
116	-	0	0.39585 Hartree
117	-	0	0.39928 Hartree
118	-	0	0.40428 Hartree
119	-	0	0.41525 Hartree
120	-	0	0.41667 Hartree
121	-	0	0.42548 Hartree
122	-	0	0.44465 Hartree
123	-	0	0.46462 Hartree
124	-	0	0.48032 Hartree
125	-	0	0.48828 Hartree
126	-	0	0.49673 Hartree
127	-	0	0.50372 Hartree
128	-	0	0.51172 Hartree
129	-	0	0.52547 Hartree
130	-	0	0.53174 Hartree
131	-	0	0.54574 Hartree
132	-	0	0.55233 Hartree
133	-	0	0.56261 Hartree
134	-	0	0.56933 Hartree
135	-	0	0.57322 Hartree
136	-	0	0.58116 Hartree
137	-	0	0.58310 Hartree
138	-	0	0.59264 Hartree
139	-	0	0.60547 Hartree
140	-	0	0.60879 Hartree
141	-	0	0.61658 Hartree
142	-	0	0.62775 Hartree
143	-	0	0.63152 Hartree
144	-	0	0.64296 Hartree
145	-	0	0.64428 Hartree
146	-	0	0.65490 Hartree
147	-	0	0.66903 Hartree
148	-	0	0.67071 Hartree
149	-	0	0.67732 Hartree
150	-	0	0.68824 Hartree
151	-	0	0.69158 Hartree
152	-	0	0.69685 Hartree
153	-	0	0.69923 Hartree
154	-	0	0.70246 Hartree
155	-	0	0.70629 Hartree
156	-	0	0.71446 Hartree
157	-	0	0.72457 Hartree
158	-	0	0.73147 Hartree
159	-	0	0.73672 Hartree
160	-	0	0.74663 Hartree
161	-	0	0.75185 Hartree
162	-	0	0.76777 Hartree
163	-	0	0.77151 Hartree
164	-	0	0.77473 Hartree
165	-	0	0.77841 Hartree
166	-	0	0.78861 Hartree
167	-	0	0.79858 Hartree
168	-	0	0.80003 Hartree
169	-	0	0.80990 Hartree
170	-	0	0.82060 Hartree
171	-	0	0.83202 Hartree
172	-	0	0.84249 Hartree
173	-	0	0.84885 Hartree
174	-	0	0.85497 Hartree
175	-	0	0.86238 Hartree
176	-	0	0.87173 Hartree
177	-	0	0.87341 Hartree
178	-	0	0.88743 Hartree
179	-	0	0.89409 Hartree
180	-	0	0.90999 Hartree
181	-	0	0.91420 Hartree
182	-	0	0.92632 Hartree
183	-	0	0.93958 Hartree
184	-	0	0.94886 Hartree
185	-	0	0.95560 Hartree
186	-	0	0.97271 Hartree
187	-	0	0.98996 Hartree
188	-	0	0.99868 Hartree
189	-	0	1.02162 Hartree
190	-	0	1.03330 Hartree
191	-	0	1.04837 Hartree
192	-	0	1.05522 Hartree
193	-	0	1.06358 Hartree
194	-	0	1.08116 Hartree
195	-	0	1.09469 Hartree
196	-	0	1.10296 Hartree
197	-	0	1.11568 Hartree
198	-	0	1.13528 Hartree
199	-	0	1.14309 Hartree
200	-	0	1.18099 Hartree
201	-	0	1.19442 Hartree
202	-	0	1.20342 Hartree
203	-	0	1.21208 Hartree
204	-	0	1.22008 Hartree
205	-	0	1.23118 Hartree
206	-	0	1.24008 Hartree
207	-	0	1.25596 Hartree
208	-	0	1.26800 Hartree
209	-	0	1.27809 Hartree
210	-	0	1.28942 Hartree
211	-	0	1.29938 Hartree
212	-	0	1.30884 Hartree
213	-	0	1.31812 Hartree
214	-	0	1.32401 Hartree
215	-	0	1.33361 Hartree
216	-	0	1.36083 Hartree
217	-	0	1.36528 Hartree
218	-	0	1.37489 Hartree
219	-	0	1.38597 Hartree
220	-	0	1.38961 Hartree
221	-	0	1.40079 Hartree
222	-	0	1.41039 Hartree
223	-	0	1.41857 Hartree
224	-	0	1.44684 Hartree
225	-	0	1.45560 Hartree
226	-	0	1.46666 Hartree
227	-	0	1.47245 Hartree
228	-	0	1.49122 Hartree
229	-	0	1.50328 Hartree
230	-	0	1.52431 Hartree
231	-	0	1.53173 Hartree
232	-	0	1.55675 Hartree
233	-	0	1.56609 Hartree
234	-	0	1.58877 Hartree
235	-	0	1.62140 Hartree
236	-	0	1.65262 Hartree
237	-	0	1.66493 Hartree
238	-	0	1.68101 Hartree
239	-	0	1.70542 Hartree
240	-	0	1.73787 Hartree
241	-	0	1.75790 Hartree
242	-	0	1.75981 Hartree
243	-	0	1.77366 Hartree
244	-	0	1.78235 Hartree
245	-	0	1.80668 Hartree
246	-	0	1.81960 Hartree
247	-	0	1.82224 Hartree
248	-	0	1.83312 Hartree
249	-	0	1.85843 Hartree
250	-	0	1.88248 Hartree
251	-	0	1.89656 Hartree
252	-	0	1.93704 Hartree
253	-	0	1.94702 Hartree
254	-	0	1.95061 Hartree
255	-	0	1.97634 Hartree
256	-	0	1.98359 Hartree
257	-	0	1.99143 Hartree
258	-	0	2.01286 Hartree
259	-	0	2.05280 Hartree
260	-	0	2.07014 Hartree
261	-	0	2.12063 Hartree
262	-	0	2.13206 Hartree
263	-	0	2.15139 Hartree
264	-	0	2.20490 Hartree
265	-	0	2.22230 Hartree
266	-	0	2.24035 Hartree
267	-	0	2.25222 Hartree
268	-	0	2.25939 Hartree
269	-	0	2.28030 Hartree
270	-	0	2.29020 Hartree
271	-	0	2.31362 Hartree
272	-	0	2.32716 Hartree
273	-	0	2.33488 Hartree
274	-	0	2.33824 Hartree
275	-	0	2.35267 Hartree
276	-	0	2.36691 Hartree
277	-	0	2.37767 Hartree
278	-	0	2.38658 Hartree
279	-	0	2.39081 Hartree
280	-	0	2.40252 Hartree
281	-	0	2.41278 Hartree
282	-	0	2.42121 Hartree
283	-	0	2.42624 Hartree
284	-	0	2.43638 Hartree
285	-	0	2.47478 Hartree
286	-	0	2.47915 Hartree
287	-	0	2.48959 Hartree
288	-	0	2.50576 Hartree
289	-	0	2.55295 Hartree
290	-	0	2.56575 Hartree
291	-	0	2.60345 Hartree
292	-	0	2.63426 Hartree
293	-	0	2.67902 Hartree
294	-	0	2.71304 Hartree
295	-	0	2.71810 Hartree
296	-	0	2.72742 Hartree
297	-	0	2.73592 Hartree
298	-	0	2.74123 Hartree
299	-	0	2.75314 Hartree
300	-	0	2.76636 Hartree
301	-	0	2.77392 Hartree
302	-	0	2.79405 Hartree
303	-	0	2.80481 Hartree
304	-	0	2.82028 Hartree
305	-	0	2.82468 Hartree
306	-	0	2.84753 Hartree
307	-	0	2.88207 Hartree
308	-	0	2.93605 Hartree
309	-	0	2.93901 Hartree
310	-	0	2.94506 Hartree
311	-	0	2.97884 Hartree
312	-	0	2.98723 Hartree
313	-	0	3.00175 Hartree
314	-	0	3.03394 Hartree
315	-	0	3.05798 Hartree
316	-	0	3.08974 Hartree
317	-	0	3.11415 Hartree
318	-	0	3.14764 Hartree
319	-	0	3.16321 Hartree
320	-	0	3.17349 Hartree
321	-	0	3.19805 Hartree
322	-	0	3.21365 Hartree
323	-	0	3.22331 Hartree
324	-	0	3.22584 Hartree
325	-	0	3.24355 Hartree
326	-	0	3.28421 Hartree
327	-	0	3.29784 Hartree
328	-	0	3.30847 Hartree
329	-	0	3.32202 Hartree
330	-	0	3.33120 Hartree
331	-	0	3.34083 Hartree
332	-	0	3.35114 Hartree
333	-	0	3.35647 Hartree
334	-	0	3.36082 Hartree
335	-	0	3.38716 Hartree
336	-	0	3.39333 Hartree
337	-	0	3.39978 Hartree
338	-	0	3.42110 Hartree
339	-	0	3.43055 Hartree
340	-	0	3.45523 Hartree
341	-	0	3.46448 Hartree
342	-	0	3.46931 Hartree
343	-	0	3.48623 Hartree
344	-	0	3.50973 Hartree
345	-	0	3.51300 Hartree
346	-	0	3.52674 Hartree
347	-	0	3.54036 Hartree
348	-	0	3.55998 Hartree
349	-	0	3.57263 Hartree
350	-	0	3.57473 Hartree
351	-	0	3.58630 Hartree
352	-	0	3.59737 Hartree
353	-	0	3.60597 Hartree
354	-	0	3.61748 Hartree
355	-	0	3.62044 Hartree
356	-	0	3.63873 Hartree
357	-	0	3.65132 Hartree
358	-	0	3.65683 Hartree
359	-	0	3.66841 Hartree
360	-	0	3.67943 Hartree
361	-	0	3.68294 Hartree
362	-	0	3.69775 Hartree
363	-	0	3.70596 Hartree
364	-	0	3.72729 Hartree
365	-	0	3.73522 Hartree
366	-	0	3.76620 Hartree
367	-	0	3.79824 Hartree
368	-	0	3.80705 Hartree
369	-	0	3.82828 Hartree
370	-	0	3.85214 Hartree
371	-	0	3.86273 Hartree
372	-	0	3.88435 Hartree
373	-	0	3.90926 Hartree
374	-	0	3.94619 Hartree
375	-	0	3.95980 Hartree
376	-	0	3.97196 Hartree
377	-	0	4.03878 Hartree
378	-	0	4.06202 Hartree
379	-	0	4.07880 Hartree
380	-	0	4.13093 Hartree
381	-	0	4.16625 Hartree
382	-	0	4.20342 Hartree
383	-	0	4.23394 Hartree
384	-	0	4.24838 Hartree
385	-	0	4.26028 Hartree
386	-	0	4.26211 Hartree
387	-	0	4.29796 Hartree
388	-	0	4.32961 Hartree
389	-	0	4.33686 Hartree
390	-	0	4.36220 Hartree
391	-	0	4.39341 Hartree
392	-	0	4.45041 Hartree
393	-	0	4.51491 Hartree
394	-	0	4.56498 Hartree
395	-	0	4.64092 Hartree
396	-	0	4.67973 Hartree
397	-	0	4.85182 Hartree
398	-	0	4.91129 Hartree
399	-	0	5.27859 Hartree
400	-	0	5.51120 Hartree
401	-	0	5.59396 Hartree
402	-	0	5.99154 Hartree
403	-	0	7.05481 Hartree
404	-	0	7.09774 Hartree
405	-	0	7.21749 Hartree
406	-	0	7.34920 Hartree
407	-	0	7.54277 Hartree
408	-	0	23.73403 Hartree
409	-	0	23.99133 Hartree
410	-	0	24.03077 Hartree
411	-	0	24.05839 Hartree
412	-	0	24.09125 Hartree
413	-	0	24.12482 Hartree
414	-	0	24.17665 Hartree
415	-	0	24.21999 Hartree
416	-	0	24.23464 Hartree
417	-	0	24.28113 Hartree
418	-	0	24.40216 Hartree
419	-	0	50.18613 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom	Symbol	Charge
1	C	-0.60960
2	C	-0.06985
3	C	0.31493
4	C	-0.06500
5	C	-0.20774
6	C	-0.20900
7	C	-0.20758
8	H	0.20720
9	H	0.20969
10	H	0.20752
11	C	-0.60640
12	H	0.21510
13	H	0.21052
14	H	0.22711
15	O	-0.60580
16	C	-0.01340
17	C	-0.43047
18	C	-0.58854
19	H	0.20999
20	H	0.19927
21	H	0.20008
22	H	0.20514
23	H	0.20220
24	H	0.18419
25	H	0.16794
26	H	0.21537
27	H	0.21352
28	H	0.22360

Natural Atomic Orbitals

Display Range		- / 420
Orbital	Description	Occupancy	Energy	Actions
1	C1 Cor(1s)	1.999992120	-10.530232653 Hartree
2	C1 Val(2s)	1.078863333	-0.177610381 Hartree
3	C1 Ryd(3s)	0.000332926	1.265563665 Hartree
4	C1 Ryd(4s)	0.000037717	3.192225071 Hartree
5	C1 Ryd(5s)	0.000003227	19.458048740 Hartree
6	C1 Val(2p)	1.214210741	-0.106850865 Hartree
7	C1 Ryd(3p)	0.002458494	0.663029704 Hartree
8	C1 Ryd(4p)	0.000078464	1.071211221 Hartree
9	C1 Ryd(5p)	0.000015757	2.761582937 Hartree
10	C1 Val(2p)	1.093302397	-0.080736924 Hartree
11	C1 Ryd(3p)	0.001610167	0.602773107 Hartree
12	C1 Ryd(4p)	0.000177496	1.382141819 Hartree
13	C1 Ryd(5p)	0.000045699	2.725374199 Hartree
14	C1 Val(2p)	1.211878635	-0.107291755 Hartree
15	C1 Ryd(3p)	0.001301577	0.602635013 Hartree
16	C1 Ryd(4p)	0.000119684	0.975424305 Hartree
17	C1 Ryd(5p)	0.000009020	2.692100044 Hartree
18	C1 Ryd(3d)	0.000876809	1.758965860 Hartree
19	C1 Ryd(4d)	0.000080486	3.405393318 Hartree
20	C1 Ryd(3d)	0.001389995	1.785378659 Hartree
21	C1 Ryd(4d)	0.000049483	3.415971679 Hartree
22	C1 Ryd(3d)	0.000603020	1.615401275 Hartree
23	C1 Ryd(4d)	0.000043891	3.185168064 Hartree
24	C1 Ryd(3d)	0.000870721	1.768005898 Hartree
25	C1 Ryd(4d)	0.000048525	3.386194941 Hartree
26	C1 Ryd(3d)	0.001157680	1.676812867 Hartree
27	C1 Ryd(4d)	0.000038458	3.249184857 Hartree
28	C2 Cor(1s)	1.999992875	-10.545013564 Hartree
29	C2 Val(2s)	0.889157034	-0.058525738 Hartree
30	C2 Ryd(3s)	0.000557626	1.095383460 Hartree
31	C2 Ryd(4s)	0.000129257	3.868068301 Hartree
32	C2 Ryd(5s)	0.000012335	16.693459636 Hartree
33	C2 Val(2p)	1.068258918	-0.040648558 Hartree
34	C2 Ryd(3p)	0.003037144	1.032301371 Hartree
35	C2 Ryd(4p)	0.000219828	0.805636735 Hartree
36	C2 Ryd(5p)	0.000096960	3.535205233 Hartree
37	C2 Val(2p)	1.070466727	-0.026904910 Hartree
38	C2 Ryd(3p)	0.004492518	1.403155289 Hartree
39	C2 Ryd(4p)	0.000286512	1.085173466 Hartree
40	C2 Ryd(5p)	0.000085263	3.735659956 Hartree
41	C2 Val(2p)	1.026565537	-0.078569542 Hartree
42	C2 Ryd(3p)	0.001888929	0.784691702 Hartree
43	C2 Ryd(4p)	0.000209113	0.507396068 Hartree
44	C2 Ryd(5p)	0.000035423	3.166105073 Hartree
45	C2 Ryd(3d)	0.000534664	2.303832732 Hartree
46	C2 Ryd(4d)	0.000433269	3.665617172 Hartree
47	C2 Ryd(3d)	0.000856473	2.400050608 Hartree
48	C2 Ryd(4d)	0.000184826	3.447801105 Hartree
49	C2 Ryd(3d)	0.000489733	1.903676658 Hartree
50	C2 Ryd(4d)	0.000234889	3.296625299 Hartree
51	C2 Ryd(4d)	0.000403482	2.284678279 Hartree
52	C2 Ryd(3d)	0.000430093	3.692883055 Hartree
53	C2 Ryd(3d)	0.000662888	1.933988319 Hartree
54	C2 Ryd(4d)	0.000128975	3.257801949 Hartree
55	C3 Cor(1s)	1.999991354	-10.587251202 Hartree
56	C3 Val(2s)	0.810109375	-0.044291093 Hartree
57	C3 Ryd(3s)	0.000702766	1.558123793 Hartree
58	C3 Ryd(4s)	0.000008304	18.972267685 Hartree
59	C3 Val(2p)	0.838730320	-0.006329344 Hartree
60	C3 Ryd(3p)	0.006237416	1.342254700 Hartree
61	C3 Ryd(4p)	0.000398813	0.898685650 Hartree
62	C3 Ryd(5p)	0.000117104	3.268495150 Hartree
63	C3 Val(2p)	1.080582009	-0.013303014 Hartree
64	C3 Ryd(3p)	0.002599984	1.329143261 Hartree
65	C3 Ryd(4p)	0.000276675	1.324033173 Hartree
66	C3 Ryd(5p)	0.000194397	3.440486319 Hartree
67	C3 Val(2p)	0.933192171	-0.070062567 Hartree
68	C3 Ryd(3p)	0.005067708	0.840838455 Hartree
69	C3 Ryd(4p)	0.000314016	0.620101302 Hartree
70	C3 Ryd(5p)	0.000044714	2.929122860 Hartree
71	C3 Ryd(3d)	0.001267125	2.548102898 Hartree
72	C3 Ryd(4d)	0.000210198	3.581744600 Hartree
73	C3 Ryd(3d)	0.000737753	2.315264300 Hartree
74	C3 Ryd(4d)	0.000393959	3.237719998 Hartree
75	C3 Ryd(3d)	0.000738554	2.136360528 Hartree
76	C3 Ryd(4d)	0.000140836	3.099891300 Hartree
77	C3 Ryd(3d)	0.001100284	2.632158097 Hartree
78	C3 Ryd(4d)	0.000401850	3.638203694 Hartree
79	C3 Ryd(3d)	0.001114348	2.349644075 Hartree
80	C3 Ryd(4d)	0.000397277	2.990349490 Hartree
81	C4 Cor(1s)	1.999992898	-10.543639758 Hartree
82	C4 Val(2s)	0.889789705	-0.057297195 Hartree
83	C4 Ryd(3s)	0.000581053	1.062956522 Hartree
84	C4 Ryd(4s)	0.000160577	3.540111862 Hartree
85	C4 Ryd(5s)	0.000011122	17.966008338 Hartree
86	C4 Val(2p)	1.064391819	-0.039693185 Hartree
87	C4 Ryd(3p)	0.003390016	1.098497923 Hartree
88	C4 Ryd(4p)	0.000230761	0.761159962 Hartree
89	C4 Ryd(5p)	0.000084275	3.588880185 Hartree
90	C4 Val(2p)	1.074077944	-0.022771404 Hartree
91	C4 Ryd(3p)	0.004057825	1.293527220 Hartree
92	C4 Ryd(4p)	0.000279691	1.160059720 Hartree
93	C4 Ryd(5p)	0.000100484	3.687875849 Hartree
94	C4 Val(2p)	1.021012512	-0.077668330 Hartree
95	C4 Ryd(3p)	0.002215142	0.786464365 Hartree
96	C4 Ryd(4p)	0.000240188	0.528070901 Hartree
97	C4 Ryd(5p)	0.000035176	3.170255255 Hartree
98	C4 Ryd(4d)	0.000417281	2.336355445 Hartree
99	C4 Ryd(3d)	0.000513080	3.656210074 Hartree
100	C4 Ryd(3d)	0.000847042	2.302101047 Hartree
101	C4 Ryd(4d)	0.000168671	3.464140320 Hartree
102	C4 Ryd(3d)	0.000442087	1.914432431 Hartree
103	C4 Ryd(4d)	0.000243201	3.279462686 Hartree
104	C4 Ryd(3d)	0.000577405	2.357608393 Hartree
105	C4 Ryd(4d)	0.000357249	3.710502503 Hartree
106	C4 Ryd(3d)	0.000656332	1.997724699 Hartree
107	C4 Ryd(4d)	0.000127980	3.256843097 Hartree
108	C5 Cor(1s)	1.999992795	-10.533177169 Hartree
109	C5 Val(2s)	0.938004862	-0.075143296 Hartree
110	C5 Ryd(3s)	0.000984462	1.464551323 Hartree
111	C5 Ryd(4s)	0.000030244	8.904696628 Hartree
112	C5 Ryd(5s)	0.000006994	11.738718622 Hartree
113	C5 Val(2p)	1.060542614	-0.037736151 Hartree
114	C5 Ryd(3p)	0.002961650	0.813478066 Hartree
115	C5 Ryd(4p)	0.000373255	0.729646056 Hartree
116	C5 Ryd(5p)	0.000071338	3.237890762 Hartree
117	C5 Val(2p)	1.162672005	-0.043419806 Hartree
118	C5 Ryd(3p)	0.005701280	1.475489841 Hartree
119	C5 Ryd(4p)	0.000190485	0.615567819 Hartree
120	C5 Ryd(5p)	0.000044422	3.776464065 Hartree
121	C5 Val(2p)	1.029473501	-0.081171744 Hartree
122	C5 Ryd(3p)	0.001902030	0.662189235 Hartree
123	C5 Ryd(4p)	0.000420279	0.506446011 Hartree
124	C5 Ryd(5p)	0.000025736	2.967634549 Hartree
125	C5 Ryd(3d)	0.000585141	2.271993843 Hartree
126	C5 Ryd(4d)	0.000232052	3.531825627 Hartree
127	C5 Ryd(3d)	0.001034927	2.234000917 Hartree
128	C5 Ryd(4d)	0.000150078	3.385940524 Hartree
129	C5 Ryd(3d)	0.000488960	1.816789244 Hartree
130	C5 Ryd(4d)	0.000117452	3.139825087 Hartree
131	C5 Ryd(3d)	0.000641926	2.223314248 Hartree
132	C5 Ryd(4d)	0.000280166	3.547526210 Hartree
133	C5 Ryd(3d)	0.000731478	1.781738600 Hartree
134	C5 Ryd(4d)	0.000076201	3.168949332 Hartree
135	C6 Cor(1s)	1.999993048	-10.533458305 Hartree
136	C6 Val(2s)	0.944994824	-0.082209212 Hartree
137	C6 Ryd(3s)	0.001086164	1.698777053 Hartree
138	C6 Ryd(4s)	0.000008494	3.101878728 Hartree
139	C6 Ryd(5s)	0.000004192	18.241661761 Hartree
140	C6 Val(2p)	1.130740126	-0.060115438 Hartree
141	C6 Ryd(3p)	0.004901889	1.211961619 Hartree
142	C6 Ryd(4p)	0.000207099	0.452201372 Hartree
143	C6 Ryd(5p)	0.000037290	3.429630985 Hartree
144	C6 Val(2p)	1.063204914	-0.009439710 Hartree
145	C6 Ryd(3p)	0.004118658	0.873575194 Hartree
146	C6 Ryd(4p)	0.000171544	0.864168160 Hartree
147	C6 Ryd(5p)	0.000105312	3.243455120 Hartree
148	C6 Val(2p)	1.052582024	-0.088733179 Hartree
149	C6 Ryd(3p)	0.002459737	0.803090073 Hartree
150	C6 Ryd(4p)	0.000285785	0.409728474 Hartree
151	C6 Ryd(5p)	0.000015578	2.965008935 Hartree
152	C6 Ryd(3d)	0.000656343	2.279653173 Hartree
153	C6 Ryd(4d)	0.000172432	3.461049524 Hartree
154	C6 Ryd(3d)	0.000826117	1.910576513 Hartree
155	C6 Ryd(4d)	0.000147653	3.221630539 Hartree
156	C6 Ryd(3d)	0.000489178	1.901858389 Hartree
157	C6 Ryd(4d)	0.000088485	3.115743013 Hartree
158	C6 Ryd(3d)	0.000563366	2.610105536 Hartree
159	C6 Ryd(4d)	0.000347547	3.522882340 Hartree
160	C6 Ryd(3d)	0.000719715	1.971961417 Hartree
161	C6 Ryd(4d)	0.000076342	3.056829811 Hartree
162	C7 Cor(1s)	1.999992827	-10.533672193 Hartree
163	C7 Val(2s)	0.937549794	-0.075400988 Hartree
164	C7 Ryd(3s)	0.001033387	1.468811012 Hartree
165	C7 Ryd(4s)	0.000027780	6.437769558 Hartree
166	C7 Ryd(5s)	0.000007774	14.279683230 Hartree
167	C7 Val(2p)	1.081258075	-0.044919180 Hartree
168	C7 Ryd(3p)	0.003293554	0.912242967 Hartree
169	C7 Ryd(4p)	0.000337602	0.731484347 Hartree
170	C7 Ryd(5p)	0.000057215	3.256252232 Hartree
171	C7 Val(2p)	1.136985295	-0.035049831 Hartree
172	C7 Ryd(3p)	0.005348923	1.349591641 Hartree
173	C7 Ryd(4p)	0.000192362	0.695581947 Hartree
174	C7 Ryd(5p)	0.000061367	3.682839140 Hartree
175	C7 Val(2p)	1.034683282	-0.084188670 Hartree
176	C7 Ryd(3p)	0.001989445	0.684636172 Hartree
177	C7 Ryd(4p)	0.000410569	0.515273794 Hartree
178	C7 Ryd(5p)	0.000019560	2.953989497 Hartree
179	C7 Ryd(3d)	0.000466610	2.333012953 Hartree
180	C7 Ryd(4d)	0.000351595	3.537787653 Hartree
181	C7 Ryd(3d)	0.001049999	2.096942690 Hartree
182	C7 Ryd(4d)	0.000114961	3.357328826 Hartree
183	C7 Ryd(3d)	0.000410536	1.838495511 Hartree
184	C7 Ryd(4d)	0.000174116	3.145931270 Hartree
185	C7 Ryd(3d)	0.000773275	2.241632631 Hartree
186	C7 Ryd(4d)	0.000164165	3.549222950 Hartree
187	C7 Ryd(3d)	0.000765940	1.819320982 Hartree
188	C7 Ryd(4d)	0.000060655	3.163025505 Hartree
189	H8 Val(1s)	0.791031180	0.082548372 Hartree
190	H8 Ryd(2s)	0.000856340	0.800758974 Hartree
191	H8 Ryd(3s)	0.000164247	2.415628812 Hartree
192	H8 Ryd(2p)	0.000225787	2.276731886 Hartree
193	H8 Ryd(2p)	0.000398370	2.496745323 Hartree
194	H8 Ryd(2p)	0.000120970	1.996083559 Hartree
195	H9 Val(1s)	0.788319879	0.086276053 Hartree
196	H9 Ryd(2s)	0.001122510	0.753494344 Hartree
197	H9 Ryd(3s)	0.000128596	2.377062309 Hartree
198	H9 Ryd(2p)	0.000475953	2.448502189 Hartree
199	H9 Ryd(2p)	0.000043134	2.252914463 Hartree
200	H9 Ryd(2p)	0.000218331	2.061535230 Hartree
201	H10 Val(1s)	0.790747141	0.083837441 Hartree
202	H10 Ryd(2s)	0.000823801	0.809407198 Hartree
203	H10 Ryd(3s)	0.000167897	2.416146276 Hartree
204	H10 Ryd(2p)	0.000113099	2.197294864 Hartree
205	H10 Ryd(2p)	0.000545504	2.598256129 Hartree
206	H10 Ryd(2p)	0.000086194	1.975634598 Hartree
207	C11 Cor(1s)	1.999992085	-10.526015026 Hartree
208	C11 Val(2s)	1.078085581	-0.172529516 Hartree
209	C11 Ryd(3s)	0.000363008	1.199638597 Hartree
210	C11 Ryd(4s)	0.000034338	2.620874681 Hartree
211	C11 Ryd(5s)	0.000002582	20.662424902 Hartree
212	C11 Val(2p)	1.182835636	-0.095637626 Hartree
213	C11 Ryd(3p)	0.002399311	0.640634824 Hartree
214	C11 Ryd(4p)	0.000087548	0.904525055 Hartree
215	C11 Ryd(5p)	0.000030757	2.941874248 Hartree
216	C11 Val(2p)	1.126028083	-0.083474843 Hartree
217	C11 Ryd(3p)	0.002296977	0.681242756 Hartree
218	C11 Ryd(4p)	0.000156739	0.983601238 Hartree
219	C11 Ryd(5p)	0.000040598	2.919030641 Hartree
220	C11 Val(2p)	1.207635579	-0.102528581 Hartree
221	C11 Ryd(3p)	0.001157233	0.598594089 Hartree
222	C11 Ryd(4p)	0.000120308	0.752261321 Hartree
223	C11 Ryd(5p)	0.000013181	2.891545390 Hartree
224	C11 Ryd(3d)	0.001410384	1.881097050 Hartree
225	C11 Ryd(4d)	0.000035775	3.504991937 Hartree
226	C11 Ryd(3d)	0.001376524	1.794247430 Hartree
227	C11 Ryd(4d)	0.000064596	3.443258113 Hartree
228	C11 Ryd(3d)	0.000676894	1.622655973 Hartree
229	C11 Ryd(4d)	0.000021129	3.176816161 Hartree
230	C11 Ryd(3d)	0.000301709	1.679506329 Hartree
231	C11 Ryd(4d)	0.000088046	3.333127052 Hartree
232	C11 Ryd(3d)	0.001105798	1.673221415 Hartree
233	C11 Ryd(4d)	0.000042211	3.248098548 Hartree
234	H12 Val(1s)	0.783422385	0.068365798 Hartree
235	H12 Ryd(2s)	0.000898448	0.594759176 Hartree
236	H12 Ryd(3s)	0.000054698	2.410864841 Hartree
237	H12 Ryd(2p)	0.000228850	2.280593905 Hartree
238	H12 Ryd(2p)	0.000069956	2.051347798 Hartree
239	H12 Ryd(2p)	0.000223327	2.250957584 Hartree
240	H13 Val(1s)	0.788261083	0.072152943 Hartree
241	H13 Ryd(2s)	0.000640022	0.621318143 Hartree
242	H13 Ryd(3s)	0.000060969	2.319962357 Hartree
243	H13 Ryd(2p)	0.000180615	2.213870626 Hartree
244	H13 Ryd(2p)	0.000298822	2.399676673 Hartree
245	H13 Ryd(2p)	0.000035249	1.975744983 Hartree
246	H14 Val(1s)	0.771179451	0.085890830 Hartree
247	H14 Ryd(2s)	0.001099077	0.819974188 Hartree
248	H14 Ryd(3s)	0.000088138	2.163029737 Hartree
249	H14 Ryd(2p)	0.000117489	2.116766725 Hartree
250	H14 Ryd(2p)	0.000102467	2.047338356 Hartree
251	H14 Ryd(2p)	0.000304382	2.483154272 Hartree
252	O15 Cor(1s)	1.999996553	-19.633701122 Hartree
253	O15 Val(2s)	1.587850728	-0.768769467 Hartree
254	O15 Ryd(3s)	0.001532410	2.501447256 Hartree
255	O15 Ryd(4s)	0.000094235	1.849614541 Hartree
256	O15 Ryd(5s)	0.000000182	49.048321135 Hartree
257	O15 Val(2p)	1.400137125	-0.299020839 Hartree
258	O15 Ryd(3p)	0.002233008	1.187070357 Hartree
259	O15 Ryd(4p)	0.000405449	1.191132151 Hartree
260	O15 Ryd(5p)	0.000005417	5.093598499 Hartree
261	O15 Val(2p)	1.886418022	-0.371492225 Hartree
262	O15 Ryd(3p)	0.005473652	0.841620441 Hartree
263	O15 Ryd(4p)	0.000216094	1.121924431 Hartree
264	O15 Ryd(5p)	0.000001874	5.254774201 Hartree
265	O15 Val(2p)	1.706194366	-0.366311102 Hartree
266	O15 Ryd(3p)	0.003560190	0.756560594 Hartree
267	O15 Ryd(4p)	0.000523080	0.969221345 Hartree
268	O15 Ryd(5p)	0.000023285	5.310635025 Hartree
269	O15 Ryd(3d)	0.000502001	2.131121784 Hartree
270	O15 Ryd(4d)	0.000041896	7.107747304 Hartree
271	O15 Ryd(3d)	0.003928831	2.393603820 Hartree
272	O15 Ryd(4d)	0.000031816	7.273946911 Hartree
273	O15 Ryd(3d)	0.002693261	1.964565193 Hartree
274	O15 Ryd(4d)	0.000022000	7.013110714 Hartree
275	O15 Ryd(3d)	0.001013143	2.084897345 Hartree
276	O15 Ryd(4d)	0.000025885	7.043958778 Hartree
277	O15 Ryd(3d)	0.002836536	1.923555791 Hartree
278	O15 Ryd(4d)	0.000038183	7.025616157 Hartree
279	C16 Cor(1s)	1.999991960	-10.586114917 Hartree
280	C16 Val(2s)	1.005670300	-0.170796922 Hartree
281	C16 Ryd(3s)	0.002179075	1.307821712 Hartree
282	C16 Ryd(4s)	0.000273490	6.781850596 Hartree
283	C16 Ryd(5s)	0.000009336	16.195166361 Hartree
284	C16 Val(2p)	0.876156696	-0.055270644 Hartree
285	C16 Ryd(3p)	0.003527976	0.933915070 Hartree
286	C16 Ryd(4p)	0.000395501	0.674033990 Hartree
287	C16 Ryd(5p)	0.000072871	2.951019414 Hartree
288	C16 Val(2p)	1.074521889	-0.088555273 Hartree
289	C16 Ryd(3p)	0.000714935	0.764902749 Hartree
290	C16 Ryd(4p)	0.000223193	0.608492212 Hartree
291	C16 Ryd(5p)	0.000111863	2.930661913 Hartree
292	C16 Val(2p)	1.038339968	-0.076651536 Hartree
293	C16 Ryd(3p)	0.004400822	0.870447580 Hartree
294	C16 Ryd(4p)	0.000248154	0.584538809 Hartree
295	C16 Ryd(5p)	0.000113578	3.033346950 Hartree
296	C16 Ryd(3d)	0.001245557	1.999188961 Hartree
297	C16 Ryd(4d)	0.000052912	3.177071094 Hartree
298	C16 Ryd(3d)	0.001564471	2.185841861 Hartree
299	C16 Ryd(4d)	0.000108205	3.347399812 Hartree
300	C16 Ryd(3d)	0.001593346	2.119005093 Hartree
301	C16 Ryd(4d)	0.000085429	3.279535140 Hartree
302	C16 Ryd(3d)	0.001049088	2.033121868 Hartree
303	C16 Ryd(4d)	0.000090645	3.210681306 Hartree
304	C16 Ryd(3d)	0.000391467	1.871298148 Hartree
305	C16 Ryd(4d)	0.000264154	2.944897995 Hartree
306	C17 Cor(1s)	1.999993169	-10.533362073 Hartree
307	C17 Val(2s)	1.038717587	-0.172366934 Hartree
308	C17 Ryd(3s)	0.001561822	1.238802536 Hartree
309	C17 Ryd(4s)	0.000203680	5.300774243 Hartree
310	C17 Ryd(5s)	0.000003237	18.377777477 Hartree
311	C17 Val(2p)	1.108923847	-0.081696012 Hartree
312	C17 Ryd(3p)	0.002217503	0.817465059 Hartree
313	C17 Ryd(4p)	0.000223282	0.532085606 Hartree
314	C17 Ryd(5p)	0.000053940	3.203119417 Hartree
315	C17 Val(2p)	1.132670057	-0.091880830 Hartree
316	C17 Ryd(3p)	0.001109339	0.652420239 Hartree
317	C17 Ryd(4p)	0.000261053	0.507814740 Hartree
318	C17 Ryd(5p)	0.000057998	3.222052959 Hartree
319	C17 Val(2p)	1.137268335	-0.086164841 Hartree
320	C17 Ryd(3p)	0.001825310	0.762348458 Hartree
321	C17 Ryd(4p)	0.000168444	0.464565137 Hartree
322	C17 Ryd(5p)	0.000033458	3.239297968 Hartree
323	C17 Ryd(3d)	0.000785788	1.732690245 Hartree
324	C17 Ryd(4d)	0.000144675	3.410971711 Hartree
325	C17 Ryd(3d)	0.001368606	1.838465565 Hartree
326	C17 Ryd(4d)	0.000066097	3.502238861 Hartree
327	C17 Ryd(3d)	0.001527081	1.813971608 Hartree
328	C17 Ryd(4d)	0.000061136	3.531298688 Hartree
329	C17 Ryd(3d)	0.000683336	1.684710087 Hartree
330	C17 Ryd(4d)	0.000186101	3.363499206 Hartree
331	C17 Ryd(4d)	0.000169493	1.573542209 Hartree
332	C17 Ryd(3d)	0.000189208	3.146777313 Hartree
333	C18 Cor(1s)	1.999993124	-10.529281916 Hartree
334	C18 Val(2s)	1.087037069	-0.189926402 Hartree
335	C18 Ryd(3s)	0.000491650	0.987024747 Hartree
336	C18 Ryd(4s)	0.000019569	5.687719705 Hartree
337	C18 Ryd(5s)	0.000002553	18.879462612 Hartree
338	C18 Val(2p)	1.120016485	-0.088803319 Hartree
339	C18 Ryd(3p)	0.000976735	0.609422986 Hartree
340	C18 Ryd(4p)	0.000100798	0.878453728 Hartree
341	C18 Ryd(5p)	0.000030640	2.789399249 Hartree
342	C18 Val(2p)	1.196705710	-0.102420716 Hartree
343	C18 Ryd(3p)	0.001799960	0.633655675 Hartree
344	C18 Ryd(4p)	0.000019673	0.949033905 Hartree
345	C18 Ryd(5p)	0.000016524	2.829970384 Hartree
346	C18 Val(2p)	1.175183991	-0.099802945 Hartree
347	C18 Ryd(3p)	0.001231518	0.625433631 Hartree
348	C18 Ryd(4p)	0.000061599	0.902175742 Hartree
349	C18 Ryd(5p)	0.000013227	2.814968918 Hartree
350	C18 Ryd(3d)	0.000852067	1.820148540 Hartree
351	C18 Ryd(4d)	0.000040520	3.065961140 Hartree
352	C18 Ryd(3d)	0.001459413	1.939766610 Hartree
353	C18 Ryd(4d)	0.000021246	3.240035200 Hartree
354	C18 Ryd(3d)	0.001553580	1.920778440 Hartree
355	C18 Ryd(4d)	0.000016826	3.227066585 Hartree
356	C18 Ryd(3d)	0.000679542	1.803161235 Hartree
357	C18 Ryd(4d)	0.000025706	3.052082906 Hartree
358	C18 Ryd(3d)	0.000140397	1.676132647 Hartree
359	C18 Ryd(4d)	0.000053803	2.880245611 Hartree
360	H19 Val(1s)	0.789026438	0.069851392 Hartree
361	H19 Ryd(2s)	0.000543477	0.427893358 Hartree
362	H19 Ryd(3s)	0.000026786	2.396619007 Hartree
363	H19 Ryd(2p)	0.000085596	2.057905768 Hartree
364	H19 Ryd(2p)	0.000194413	2.283700694 Hartree
365	H19 Ryd(2p)	0.000128819	2.132913881 Hartree
366	H20 Val(1s)	0.799327205	0.062356928 Hartree
367	H20 Ryd(2s)	0.000899657	0.587486766 Hartree
368	H20 Ryd(3s)	0.000059079	2.272156265 Hartree
369	H20 Ryd(2p)	0.000220845	2.286033749 Hartree
370	H20 Ryd(2p)	0.000056236	1.994894164 Hartree
371	H20 Ryd(2p)	0.000162903	2.182868402 Hartree
372	H21 Val(1s)	0.798549871	0.063256726 Hartree
373	H21 Ryd(2s)	0.000872176	0.589123972 Hartree
374	H21 Ryd(3s)	0.000062233	2.274210634 Hartree
375	H21 Ryd(2p)	0.000057203	1.995397218 Hartree
376	H21 Ryd(2p)	0.000212167	2.273304561 Hartree
377	H21 Ryd(2p)	0.000163254	2.193117182 Hartree
378	H22 Val(1s)	0.792925644	0.067491962 Hartree
379	H22 Ryd(2s)	0.001228563	0.682149500 Hartree
380	H22 Ryd(3s)	0.000068116	2.438544613 Hartree
381	H22 Ryd(2p)	0.000301455	2.278212030 Hartree
382	H22 Ryd(2p)	0.000090126	2.111197971 Hartree
383	H22 Ryd(2p)	0.000244580	2.304003001 Hartree
384	H23 Val(1s)	0.795545486	0.066277342 Hartree
385	H23 Ryd(2s)	0.001522269	0.609593388 Hartree
386	H23 Ryd(3s)	0.000079657	2.385968116 Hartree
387	H23 Ryd(2p)	0.000086045	2.104173635 Hartree
388	H23 Ryd(2p)	0.000330311	2.377997427 Hartree
389	H23 Ryd(2p)	0.000239842	2.202453342 Hartree
390	H24 Val(1s)	0.814117718	0.052285998 Hartree
391	H24 Ryd(2s)	0.000824526	0.703076409 Hartree
392	H24 Ryd(3s)	0.000050575	2.288531698 Hartree
393	H24 Ryd(2p)	0.000336791	2.329303475 Hartree
394	H24 Ryd(2p)	0.000124296	2.107002722 Hartree
395	H24 Ryd(2p)	0.000351623	2.314736026 Hartree
396	H25 Val(1s)	0.829679937	0.042392317 Hartree
397	H25 Ryd(2s)	0.001504404	0.698791271 Hartree
398	H25 Ryd(3s)	0.000059614	2.381550062 Hartree
399	H25 Ryd(2p)	0.000087470	2.107365129 Hartree
400	H25 Ryd(2p)	0.000472028	2.463582220 Hartree
401	H25 Ryd(2p)	0.000256676	2.219157163 Hartree
402	H26 Val(1s)	0.783404694	0.072116960 Hartree
403	H26 Ryd(2s)	0.000667535	0.624349841 Hartree
404	H26 Ryd(3s)	0.000063064	2.308804464 Hartree
405	H26 Ryd(2p)	0.000287644	2.373908774 Hartree
406	H26 Ryd(2p)	0.000174342	2.237303343 Hartree
407	H26 Ryd(2p)	0.000037633	1.976699377 Hartree
408	H27 Val(1s)	0.785097638	0.063607330 Hartree
409	H27 Ryd(2s)	0.000800700	0.618232807 Hartree
410	H27 Ryd(3s)	0.000068532	2.390881058 Hartree
411	H27 Ryd(2p)	0.000127751	2.120288533 Hartree
412	H27 Ryd(2p)	0.000108835	2.132150469 Hartree
413	H27 Ryd(2p)	0.000272538	2.338045384 Hartree
414	H28 Val(1s)	0.774701571	0.079362619 Hartree
415	H28 Ryd(2s)	0.001097511	0.835146245 Hartree
416	H28 Ryd(3s)	0.000090194	2.113429418 Hartree
417	H28 Ryd(2p)	0.000155342	2.164240669 Hartree
418	H28 Ryd(2p)	0.000066716	2.039673998 Hartree
419	H28 Ryd(2p)	0.000287072	2.423798047 Hartree
420			********** Hartree

Natural Hybrid Orbitals

Display Range		- / 420
Orbital	Description	Occupancy	Energy	Actions
1	CR(1)C1 s(100.00%)	1.999992120	-10.530232653 Hartree
2	CR(1)C2 s(100.00%)	1.999992875	-10.545013564 Hartree
3	CR(1)C3 s(100.00%)	1.999991354	-10.587251202 Hartree
4	CR(1)C4 s(100.00%)	1.999992898	-10.543639758 Hartree
5	CR(1)C5 s(100.00%)	1.999992795	-10.533177169 Hartree
6	CR(1)C6 s(100.00%)	1.999993048	-10.533458305 Hartree
7	CR(1)C7 s(100.00%)	1.999992827	-10.533672193 Hartree
8	CR(1)C11 s(100.00%)	1.999992085	-10.526015026 Hartree
9	CR(1)O15 s(100.00%)	1.999996553	-19.633701122 Hartree
10	CR(1)C16 s(100.00%)	1.999991960	-10.586114917 Hartree
11	CR(1)C17 s(100.00%)	1.999993169	-10.533362073 Hartree
12	CR(1)C18 s(100.00%)	1.999993124	-10.529281916 Hartree
13	LP(1)O15 s(30.58%)p2.27(69.30%)d0.00(0.11%)	1.951443651	-0.525024251 Hartree
14	LP(2)O15 s(9.41%)p9.61(90.46%)d0.01(0.13%)	1.924120858	-0.422816736 Hartree
15	BD(1)C1(C2) 1s(30.21%)p2.31(69.68%)d0.00(0.11%)	0.973697011	-0.053464181 Hartree
16	BD(1)C2(C1) 2s(31.20%)p2.20(68.75%)d0.00(0.04%)	1.022126705	-0.069927262 Hartree
17	BD(1)C1(H26) 1s(23.26%)p3.30(76.65%)d0.00(0.08%)	1.208759933	-0.132150934 Hartree
18	BD(1)H26(C1) 26s(99.95%)p0.00(0.05%)	0.783812391	0.072890559 Hartree
19	BD(1)C1(H27) 1s(22.85%)p3.37(77.06%)d0.00(0.09%)	1.202742103	-0.136158631 Hartree
20	BD(1)H27(C1) 27s(99.95%)p0.00(0.05%)	0.785500336	0.064599844 Hartree
21	BD(1)C1(H28) 1s(23.66%)p3.22(76.26%)d0.00(0.09%)	1.219094613	-0.135426144 Hartree
22	BD(1)H28(C1) 28s(99.95%)p0.00(0.05%)	0.775105065	0.080363697 Hartree
23	BD(1)C2(C3) 2s(33.78%)p1.96(66.13%)d0.00(0.09%)	1.012970132	-0.014389957 Hartree
24	BD(1)C3(C2) 3s(37.82%)p1.64(62.10%)d0.00(0.08%)	0.995788159	-0.013577074 Hartree
25	BD(2)C2(C3) 2s(0.02%)p99.99(99.94%)d2.60(0.05%)	1.006768850	-0.100774337 Hartree
26	BD(2)C3(C2) 3s(0.00%)p1.00(99.95%)d0.00(0.04%)	1.013114945	-0.112738937 Hartree
27	BD(1)C2(C7) 2s(34.85%)p1.87(65.07%)d0.00(0.08%)	1.015987483	-0.011557540 Hartree
28	BD(1)C7(C2) 7s(36.09%)p1.77(63.80%)d0.00(0.11%)	0.976441985	0.007569263 Hartree
29	BD(1)C3(C4) 3s(37.67%)p1.65(62.25%)d0.00(0.07%)	0.996384603	-0.012599464 Hartree
30	BD(1)C4(C3) 4s(33.73%)p1.96(66.18%)d0.00(0.09%)	1.010214768	-0.012367815 Hartree
31	BD(1)C3(O15) 3s(24.20%)p3.13(75.67%)d0.01(0.13%)	0.662847701	0.021941849 Hartree
32	BD(1)O15(C3) 15s(32.35%)p2.08(67.44%)d0.01(0.21%)	1.354582626	-0.436384480 Hartree
33	BD(1)C4(C5) 4s(34.81%)p1.87(65.11%)d0.00(0.08%)	1.015509997	-0.010521369 Hartree
34	BD(1)C5(C4) 5s(36.14%)p1.76(63.75%)d0.00(0.11%)	0.977192501	0.008130538 Hartree
35	BD(2)C4(C5) 4s(0.00%)p1.00(99.96%)d0.00(0.04%)	1.002267562	-0.098868175 Hartree
36	BD(2)C5(C4) 5s(0.00%)p1.00(99.96%)d0.00(0.04%)	1.016224993	-0.106460149 Hartree
37	BD(1)C4(C11) 4s(31.31%)p2.19(68.65%)d0.00(0.04%)	1.024679462	-0.067968968 Hartree
38	BD(1)C11(C4) 11s(30.15%)p2.31(69.74%)d0.00(0.11%)	0.970783297	-0.048588279 Hartree
39	BD(1)C5(C6) 5s(36.06%)p1.77(63.83%)d0.00(0.10%)	0.999985110	-0.005171181 Hartree
40	BD(1)C6(C5) 6s(35.98%)p1.78(63.91%)d0.00(0.11%)	0.991863263	-0.000698823 Hartree
41	BD(1)C5(H10) 5s(27.66%)p2.61(72.30%)d0.00(0.04%)	1.204505371	-0.117969931 Hartree
42	BD(1)H10(C5) 10s(99.94%)p0.00(0.06%)	0.791250813	0.085564321 Hartree
43	BD(1)C6(C7) 6s(35.98%)p1.78(63.91%)d0.00(0.11%)	0.991125616	-0.000212865 Hartree
44	BD(1)C7(C6) 7s(36.15%)p1.76(63.75%)d0.00(0.10%)	1.000735022	-0.005486809 Hartree
45	BD(2)C6(C7) 6s(0.00%)p1.00(99.96%)d0.00(0.04%)	1.009967730	-0.105607802 Hartree
46	BD(2)C7(C6) 7s(0.00%)p1.00(99.96%)d0.00(0.03%)	1.016267212	-0.107015697 Hartree
47	BD(1)C6(H9) 6s(27.91%)p2.58(72.05%)d0.00(0.04%)	1.206474373	-0.117750038 Hartree
48	BD(1)H9(C6) 9s(99.94%)p0.00(0.06%)	0.788821920	0.087672912 Hartree
49	BD(1)C7(H8) 7s(27.62%)p2.62(72.33%)d0.00(0.04%)	1.204241775	-0.118788199 Hartree
50	BD(1)H8(C7) 8s(99.94%)p0.00(0.06%)	0.791534643	0.084273864 Hartree
51	BD(1)C11(H12) 11s(22.92%)p3.36(76.99%)d0.00(0.09%)	1.203812194	-0.131428000 Hartree
52	BD(1)H12(C11) 12s(99.95%)p0.00(0.05%)	0.783836080	0.069420089 Hartree
53	BD(1)C11(H13) 11s(23.27%)p3.29(76.65%)d0.00(0.09%)	1.204787472	-0.127725995 Hartree
54	BD(1)H13(C11) 13s(99.95%)p0.00(0.05%)	0.788690504	0.072859820 Hartree
55	BD(1)C11(H14) 11s(23.64%)p3.23(76.27%)d0.00(0.09%)	1.221098031	-0.131250805 Hartree
56	BD(1)H14(C11) 14s(99.95%)p0.00(0.05%)	0.771589442	0.086828717 Hartree
57	BD(1)O15(C16) 15s(27.62%)p2.61(72.16%)d0.01(0.22%)	1.363604860	-0.422997157 Hartree
58	BD(1)C16(O15) 16s(20.36%)p3.90(79.47%)d0.01(0.17%)	0.637905174	-0.004444154 Hartree
59	BD(1)C16(C17) 16s(31.30%)p2.19(68.61%)d0.00(0.09%)	0.996100838	-0.080456703 Hartree
60	BD(1)C17(C16) 17s(27.37%)p2.65(72.52%)d0.00(0.11%)	1.013808686	-0.078289660 Hartree
61	BD(1)C16(H24) 16s(23.61%)p3.23(76.29%)d0.00(0.09%)	1.187186737	-0.139122767 Hartree
62	BD(1)H24(C16) 24s(99.92%)p0.00(0.08%)	0.814796969	0.053365782 Hartree
63	BD(1)C16(H25) 16s(24.80%)p3.03(75.10%)d0.00(0.10%)	1.181873676	-0.145096377 Hartree
64	BD(1)H25(C16) 25s(99.93%)p0.00(0.07%)	0.830321941	0.044041614 Hartree
65	BD(1)C17(C18) 17s(28.27%)p2.53(71.65%)d0.00(0.08%)	1.010538128	-0.079895818 Hartree
66	BD(1)C18(C17) 18s(29.85%)p2.35(70.05%)d0.00(0.10%)	0.981379270	-0.069199276 Hartree
67	BD(1)C17(H22) 17s(22.26%)p3.49(77.65%)d0.00(0.10%)	1.200526412	-0.130136128 Hartree
68	BD(1)H22(C17) 22s(99.94%)p0.00(0.06%)	0.793413644	0.068459767 Hartree
69	BD(1)C17(H23) 17s(22.20%)p3.50(77.72%)d0.00(0.09%)	1.199092859	-0.129046277 Hartree
70	BD(1)H23(C17) 23s(99.94%)p0.00(0.06%)	0.796048098	0.067388102 Hartree
71	BD(1)C18(H19) 18s(23.47%)p3.26(76.44%)d0.00(0.09%)	1.205469010	-0.131461788 Hartree
72	BD(1)H19(C18) 19s(99.96%)p0.00(0.04%)	0.789346968	0.070303424 Hartree
73	BD(1)C18(H20) 18s(23.34%)p3.28(76.56%)d0.00(0.10%)	1.198776188	-0.133374105 Hartree
74	BD(1)H20(C18) 20s(99.96%)p0.00(0.04%)	0.799672459	0.063325836 Hartree
75	BD(1)C18(H21) 18s(23.33%)p3.28(76.57%)d0.00(0.10%)	1.199268287	-0.133324508 Hartree
76	BD(1)H21(C18) 21s(99.96%)p0.00(0.04%)	0.798889732	0.064178113 Hartree
77	RY(1)C1 s(0.07%)p99.99(97.15%)d42.65(2.79%)	0.003037746	0.817086181 Hartree
78	RY(2)C1 s(1.52%)p48.07(72.87%)d16.89(25.61%)	0.001066357	0.886976494 Hartree
79	RY(3)C1 s(9.84%)p7.82(76.97%)d1.34(13.19%)	0.000501528	0.733009714 Hartree
80	RY(4)C1 s(13.21%)p1.72(22.69%)d4.85(64.10%)	0.000261273	2.219636342 Hartree
81	RY(5)C1 s(8.59%)p2.72(23.38%)d7.92(68.03%)	0.000160794	2.214595074 Hartree
82	RY(6)C1 s(10.62%)p1.46(15.49%)d6.96(73.89%)	0.000102538	1.329175509 Hartree
83	RY(7)C1 s(0.30%)p99.99(48.15%)d99.99(51.54%)	0.000045486	1.135127011 Hartree
84	RY(8)C1 s(5.29%)p8.07(42.70%)d9.83(52.01%)	0.000039054	1.739444779 Hartree
85	RY(9)C1 s(22.96%)p2.17(49.83%)d1.19(27.21%)	0.000035670	1.644772047 Hartree
86	RY(10)C1 s(11.05%)p1.86(20.57%)d6.19(68.38%)	0.000019883	1.132392295 Hartree
87	RY(11)C1 s(45.84%)p0.86(39.36%)d0.32(14.80%)	0.000015942	2.570921089 Hartree
88	RY(12)C1 s(19.43%)p2.31(44.80%)d1.84(35.77%)	0.000007482	2.683771785 Hartree
89	RY(13)C1 s(10.46%)p4.06(42.40%)d4.51(47.14%)	0.000005663	3.079115320 Hartree
90	RY(14)C1 s(25.82%)p1.81(46.86%)d1.06(27.32%)	0.000003505	4.231545022 Hartree
91	RY(15)C1 s(30.19%)p1.69(50.95%)d0.62(18.86%)	0.000003985	1.616551952 Hartree
92	RY(16)C1 s(7.27%)p1.97(14.33%)d10.78(78.40%)	0.000001951	3.492963245 Hartree
93	RY(17)C1 s(4.06%)p16.41(66.64%)d7.22(29.30%)	0.000000458	3.559819482 Hartree
94	RY(18)C1 s(8.75%)p0.73(6.39%)d9.69(84.86%)	0.000000048	4.874264079 Hartree
95	RY(19)C1 s(2.25%)p18.05(40.66%)d25.34(57.08%)	0.000000293	3.049065077 Hartree
96	RY(20)C1 s(49.46%)p0.61(30.38%)d0.41(20.16%)	0.000000853	10.919920219 Hartree
97	RY(21)C1 s(9.03%)p1.41(12.72%)d8.67(78.25%)	0.000000064	4.913959342 Hartree
98	RY(22)C1 s(4.00%)p8.77(35.06%)d15.25(60.94%)	0.000000167	3.779185151 Hartree
99	RY(1)C2 s(1.52%)p59.42(90.43%)d5.29(8.05%)	0.005052711	1.518789828 Hartree
100	RY(2)C2 s(1.16%)p79.40(92.07%)d5.84(6.77%)	0.002707452	1.298067426 Hartree
101	RY(3)C2 s(0.63%)p99.99(91.40%)d12.73(7.97%)	0.001625940	0.818442205 Hartree
102	RY(4)C2 s(42.90%)p0.35(15.15%)d0.98(41.95%)	0.000720044	1.918161495 Hartree
103	RY(5)C2 s(4.46%)p3.64(16.23%)d17.80(79.32%)	0.000610057	1.970914291 Hartree
104	RY(6)C2 s(4.81%)p9.36(45.07%)d10.41(50.12%)	0.000374841	2.844897783 Hartree
105	RY(7)C2 s(21.45%)p0.91(19.60%)d2.75(58.95%)	0.000248311	2.313672239 Hartree
106	RY(8)C2 s(24.16%)p1.54(37.19%)d1.60(38.66%)	0.000173381	3.721699093 Hartree
107	RY(9)C2 s(16.91%)p1.98(33.52%)d2.93(49.57%)	0.000135974	2.355259143 Hartree
108	RY(10)C2 s(3.25%)p10.88(35.31%)d18.92(61.44%)	0.000097700	2.555094314 Hartree
109	RY(11)C2 s(11.00%)p2.45(26.91%)d5.64(62.09%)	0.000091130	3.495776253 Hartree
110	RY(12)C2 s(3.07%)p14.74(45.28%)d16.82(51.65%)	0.000061225	1.871069414 Hartree
111	RY(13)C2 s(6.37%)p9.07(57.80%)d5.62(35.82%)	0.000037209	2.549248964 Hartree
112	RY(14)C2 s(32.01%)p1.25(40.16%)d0.87(27.83%)	0.000020962	2.187959601 Hartree
113	RY(15)C2 s(18.93%)p1.51(28.65%)d2.77(52.41%)	0.000017099	2.264768702 Hartree
114	RY(16)C2 s(17.47%)p1.09(19.09%)d3.63(63.44%)	0.000010495	6.191289534 Hartree
115	RY(17)C2 s(20.61%)p1.35(27.87%)d2.50(51.52%)	0.000007222	3.879172638 Hartree
116	RY(18)C2 s(26.32%)p1.32(34.72%)d1.48(38.96%)	0.000005905	6.492775841 Hartree
117	RY(19)C2 s(2.71%)p7.92(21.48%)d27.96(75.81%)	0.000005021	2.664058595 Hartree
118	RY(20)C2 s(3.36%)p1.89(6.35%)d26.87(90.29%)	0.000001622	4.002986765 Hartree
119	RY(21)C2 s(15.47%)p3.96(61.30%)d1.50(23.22%)	0.000000388	4.478129435 Hartree
120	RY(22)C2 s(21.58%)p2.53(54.53%)d1.11(23.89%)	0.000000559	4.498958256 Hartree
121	RY(1)C3 s(0.59%)p99.99(93.74%)d9.65(5.67%)	0.006059173	1.547546904 Hartree
122	RY(2)C3 s(1.57%)p55.90(87.66%)d6.87(10.77%)	0.002953107	1.015992896 Hartree
123	RY(3)C3 s(0.71%)p99.99(91.41%)d11.15(7.88%)	0.002633829	1.332028934 Hartree
124	RY(4)C3 s(2.44%)p7.45(18.18%)d32.54(79.38%)	0.001414926	2.588656048 Hartree
125	RY(5)C3 s(11.57%)p2.16(24.98%)d5.48(63.45%)	0.001147831	1.902508325 Hartree
126	RY(6)C3 s(35.01%)p0.24(8.39%)d1.62(56.59%)	0.000602129	2.004396807 Hartree
127	RY(7)C3 s(26.43%)p0.23(6.10%)d2.55(67.47%)	0.000562082	1.966169866 Hartree
128	RY(8)C3 s(7.01%)p2.64(18.51%)d10.63(74.48%)	0.000414779	3.030251024 Hartree
129	RY(9)C3 s(0.82%)p52.93(43.36%)d68.14(55.82%)	0.000385593	2.783572953 Hartree
130	RY(10)C3 s(0.43%)p59.52(25.32%)d99.99(74.25%)	0.000336588	2.451192827 Hartree
131	RY(11)C3 s(0.90%)p78.34(70.40%)d31.93(28.70%)	0.000166200	1.313997096 Hartree
132	RY(12)C3 s(5.37%)p8.30(44.62%)d9.30(50.00%)	0.000072968	2.972954773 Hartree
133	RY(13)C3 s(1.98%)p19.04(37.72%)d30.44(60.30%)	0.000055218	2.197311366 Hartree
134	RY(14)C3 s(1.08%)p33.28(35.87%)d58.51(63.06%)	0.000051191	1.980765572 Hartree
135	RY(15)C3 s(0.93%)p53.14(49.24%)d53.77(49.83%)	0.000039476	3.141715660 Hartree
136	RY(16)C3 s(8.13%)p3.37(27.45%)d7.92(64.42%)	0.000018862	4.025496176 Hartree
137	RY(17)C3 s(0.22%)p99.99(61.55%)d99.99(38.23%)	0.000015526	1.790798870 Hartree
138	RY(18)C3 s(5.56%)p12.93(71.87%)d4.06(22.57%)	0.000005516	3.556719317 Hartree
139	RY(19)C3 s(3.53%)p20.06(70.75%)d7.29(25.72%)	0.000004538	3.828718135 Hartree
140	RY(20)C3 s(0.42%)p19.87(8.31%)d99.99(91.27%)	0.000002759	3.475580521 Hartree
141	RY(21)C3 s(85.61%)p0.05(4.56%)d0.11(9.82%)	0.000000255	16.129604867 Hartree
142	RY(1)C4 s(1.71%)p52.89(90.44%)d4.59(7.85%)	0.005204868	1.499787845 Hartree
143	RY(2)C4 s(1.12%)p82.26(92.31%)d5.85(6.57%)	0.002760276	1.277373947 Hartree
144	RY(3)C4 s(0.76%)p99.99(91.98%)d9.59(7.26%)	0.001639558	0.781818193 Hartree
145	RY(4)C4 s(38.26%)p0.45(17.18%)d1.16(44.56%)	0.000766197	1.905494895 Hartree
146	RY(5)C4 s(10.11%)p1.84(18.64%)d7.05(71.25%)	0.000585543	1.921513989 Hartree
147	RY(6)C4 s(0.73%)p49.49(36.12%)d86.53(63.15%)	0.000351986	3.538916934 Hartree
148	RY(7)C4 s(22.65%)p0.96(21.80%)d2.45(55.55%)	0.000293794	1.841057018 Hartree
149	RY(8)C4 s(32.34%)p1.44(46.65%)d0.65(21.01%)	0.000202374	3.484656870 Hartree
150	RY(9)C4 s(21.58%)p1.39(30.09%)d2.24(48.33%)	0.000144476	1.835437103 Hartree
151	RY(10)C4 s(8.04%)p6.96(55.99%)d4.47(35.97%)	0.000103050	3.308160473 Hartree
152	RY(11)C4 s(11.95%)p1.92(22.95%)d5.45(65.10%)	0.000096523	2.459441239 Hartree
153	RY(12)C4 s(6.61%)p3.59(23.71%)d10.54(69.68%)	0.000060696	2.365825325 Hartree
154	RY(13)C4 s(1.28%)p47.14(60.13%)d30.25(38.59%)	0.000045669	2.869826983 Hartree
155	RY(14)C4 s(7.90%)p2.66(21.01%)d9.00(71.09%)	0.000026699	2.393969761 Hartree
156	RY(15)C4 s(18.44%)p1.95(36.01%)d2.47(45.55%)	0.000018632	2.507461199 Hartree
157	RY(16)C4 s(16.63%)p2.14(35.56%)d2.87(47.81%)	0.000011345	5.996406651 Hartree
158	RY(17)C4 s(15.42%)p3.72(57.36%)d1.77(27.22%)	0.000011132	2.315063056 Hartree
159	RY(18)C4 s(10.34%)p2.56(26.43%)d6.11(63.23%)	0.000007149	3.115582233 Hartree
160	RY(19)C4 s(16.63%)p0.53(8.86%)d4.48(74.50%)	0.000003131	4.656091619 Hartree
161	RY(20)C4 s(36.56%)p1.16(42.53%)d0.57(20.91%)	0.000001811	7.762214650 Hartree
162	RY(21)C4 s(13.83%)p3.51(48.58%)d2.72(37.59%)	0.000000726	4.380236384 Hartree
163	RY(22)C4 s(7.25%)p2.18(15.78%)d10.62(76.97%)	0.000001193	4.695208641 Hartree
164	RY(1)C5 s(0.59%)p99.99(93.55%)d9.88(5.85%)	0.005400975	1.497158218 Hartree
165	RY(2)C5 s(0.09%)p99.99(95.76%)d48.26(4.15%)	0.001788457	1.181286582 Hartree
166	RY(3)C5 s(0.17%)p99.99(79.81%)d99.99(20.01%)	0.001024372	0.616450733 Hartree
167	RY(4)C5 s(0.69%)p21.68(14.96%)d99.99(84.36%)	0.000504684	2.113204461 Hartree
168	RY(5)C5 s(36.45%)p0.26(9.63%)d1.48(53.92%)	0.000389739	2.400553881 Hartree
169	RY(6)C5 s(20.86%)p1.61(33.60%)d2.18(45.54%)	0.000249715	2.370510153 Hartree
170	RY(7)C5 s(10.11%)p4.28(43.22%)d4.62(46.67%)	0.000171557	2.866208775 Hartree
171	RY(8)C5 s(6.58%)p5.15(33.89%)d9.05(59.54%)	0.000125632	1.852654067 Hartree
172	RY(9)C5 s(4.67%)p6.04(28.20%)d14.38(67.13%)	0.000061053	1.500250566 Hartree
173	RY(10)C5 s(11.69%)p2.88(33.61%)d4.68(54.71%)	0.000046380	1.185815641 Hartree
174	RY(11)C5 s(7.71%)p7.10(54.73%)d4.87(37.56%)	0.000023505	1.493720219 Hartree
175	RY(12)C5 s(3.74%)p10.29(38.45%)d15.46(57.81%)	0.000018628	2.426972797 Hartree
176	RY(13)C5 s(85.18%)p0.11(9.03%)d0.07(5.79%)	0.000013615	9.036496766 Hartree
177	RY(14)C5 s(1.49%)p28.47(42.36%)d37.73(56.15%)	0.000005547	2.821740912 Hartree
178	RY(15)C5 s(28.04%)p1.24(34.69%)d1.33(37.27%)	0.000003310	5.268487576 Hartree
179	RY(16)C5 s(39.85%)p0.71(28.15%)d0.80(32.00%)	0.000004090	4.627728409 Hartree
180	RY(17)C5 s(11.97%)p3.55(42.44%)d3.81(45.60%)	0.000001222	2.610998372 Hartree
181	RY(18)C5 s(2.68%)p21.49(57.64%)d14.79(39.68%)	0.000001920	2.039228967 Hartree
182	RY(19)C5 s(0.02%)p99.99(25.06%)d99.99(74.93%)	0.000000023	3.251602552 Hartree
183	RY(20)C5 s(15.91%)p1.96(31.24%)d3.32(52.86%)	0.000000427	5.318134011 Hartree
184	RY(21)C5 s(0.42%)p99.99(42.27%)d99.99(57.31%)	0.000000144	3.286295519 Hartree
185	RY(22)C5 s(11.25%)p2.48(27.89%)d5.41(60.86%)	0.000000567	4.213177159 Hartree
186	RY(1)C6 s(0.32%)p99.99(92.98%)d21.19(6.70%)	0.005516303	1.404469313 Hartree
187	RY(2)C6 s(0.00%)p1.00(99.61%)d0.00(0.39%)	0.001878944	1.400974007 Hartree
188	RY(3)C6 s(0.80%)p99.99(81.52%)d22.04(17.68%)	0.000946627	0.515927114 Hartree
189	RY(4)C6 s(0.08%)p9.58(0.81%)d99.99(99.10%)	0.000483948	2.412902441 Hartree
190	RY(5)C6 s(53.17%)p0.10(5.44%)d0.78(41.39%)	0.000364140	3.073388443 Hartree
191	RY(6)C6 s(0.01%)p1.00(26.19%)d2.82(73.80%)	0.000195647	3.267591217 Hartree
192	RY(7)C6 s(6.20%)p0.94(5.81%)d14.20(87.99%)	0.000089958	2.247651537 Hartree
193	RY(8)C6 s(16.16%)p1.67(27.03%)d3.52(56.81%)	0.000025104	1.758191876 Hartree
194	RY(9)C6 s(4.90%)p16.25(79.60%)d3.16(15.50%)	0.000023070	1.205727477 Hartree
195	RY(10)C6 s(12.25%)p5.21(63.85%)d1.95(23.90%)	0.000014934	1.368420253 Hartree
196	RY(11)C6 s(1.58%)p40.76(64.49%)d21.45(33.93%)	0.000012638	3.060909120 Hartree
197	RY(12)C6 s(5.92%)p2.00(11.81%)d13.91(82.28%)	0.000006502	2.247956794 Hartree
198	RY(13)C6 s(24.41%)p1.58(38.51%)d1.52(37.08%)	0.000007464	1.586258228 Hartree
199	RY(14)C6 s(29.54%)p1.10(32.55%)d1.28(37.90%)	0.000005320	5.493851044 Hartree
200	RY(15)C6 s(17.64%)p2.25(39.64%)d2.42(42.73%)	0.000004290	2.329529728 Hartree
201	RY(16)C6 s(55.66%)p0.71(39.64%)d0.08(4.70%)	0.000002165	5.344604929 Hartree
202	RY(17)C6 s(19.17%)p3.46(66.24%)d0.76(14.59%)	0.000001123	3.384394413 Hartree
203	RY(18)C6 s(29.04%)p0.81(23.59%)d1.63(47.37%)	0.000000114	8.233923359 Hartree
204	RY(19)C6 s(1.80%)p4.23(7.62%)d50.26(90.58%)	0.000000734	2.494602528 Hartree
205	RY(20)C6 s(2.51%)p33.03(82.96%)d5.79(14.53%)	0.000000152	3.341006277 Hartree
206	RY(21)C6 s(18.37%)p0.19(3.58%)d4.25(78.05%)	0.000000641	4.712427715 Hartree
207	RY(22)C6 s(0.60%)p11.10(6.70%)d99.99(92.70%)	0.000000009	3.446491908 Hartree
208	RY(1)C7 s(0.75%)p99.99(93.56%)d7.63(5.69%)	0.005491945	1.482306548 Hartree
209	RY(2)C7 s(0.21%)p99.99(95.47%)d20.76(4.32%)	0.001825783	1.192647522 Hartree
210	RY(3)C7 s(0.34%)p99.99(82.48%)d50.98(17.18%)	0.000986164	0.577001061 Hartree
211	RY(4)C7 s(3.15%)p3.02(9.49%)d27.77(87.36%)	0.000514324	2.251919530 Hartree
212	RY(5)C7 s(36.94%)p0.24(8.88%)d1.47(54.18%)	0.000387608	2.467045850 Hartree
213	RY(6)C7 s(16.60%)p2.06(34.24%)d2.96(49.16%)	0.000241510	2.628094430 Hartree
214	RY(7)C7 s(11.75%)p3.62(42.52%)d3.89(45.74%)	0.000174176	2.660737873 Hartree
215	RY(8)C7 s(7.49%)p3.65(27.34%)d8.70(65.16%)	0.000111430	1.713799779 Hartree
216	RY(9)C7 s(5.46%)p4.73(25.78%)d12.60(68.76%)	0.000058605	1.475804523 Hartree
217	RY(10)C7 s(15.54%)p2.53(39.37%)d2.90(45.09%)	0.000041691	1.337995853 Hartree
218	RY(11)C7 s(7.62%)p6.45(49.15%)d5.67(43.23%)	0.000025031	1.382764533 Hartree
219	RY(12)C7 s(70.95%)p0.29(20.58%)d0.12(8.47%)	0.000014832	6.625594944 Hartree
220	RY(13)C7 s(1.71%)p9.80(16.79%)d47.55(81.50%)	0.000012765	2.206672856 Hartree
221	RY(14)C7 s(30.57%)p1.85(56.63%)d0.42(12.81%)	0.000004930	7.257305662 Hartree
222	RY(15)C7 s(11.72%)p1.69(19.80%)d5.84(68.47%)	0.000003190	2.650251436 Hartree
223	RY(16)C7 s(41.04%)p0.90(36.95%)d0.54(22.00%)	0.000003800	5.609721473 Hartree
224	RY(17)C7 s(5.19%)p8.92(46.35%)d9.33(48.46%)	0.000001189	2.871994784 Hartree
225	RY(18)C7 s(5.29%)p12.81(67.77%)d5.09(26.94%)	0.000001857	1.010527864 Hartree
226	RY(19)C7 s(1.94%)p9.69(18.79%)d40.87(79.27%)	0.000000221	3.371250323 Hartree
227	RY(20)C7 s(24.25%)p0.70(16.96%)d2.42(58.79%)	0.000000618	6.758398729 Hartree
228	RY(21)C7 s(1.50%)p56.34(84.29%)d9.50(14.21%)	0.000000156	3.147125845 Hartree
229	RY(22)C7 s(0.13%)p51.66(6.95%)d99.99(92.92%)	0.000000018	3.356057860 Hartree
230	RY(1)H8 s(96.92%)p0.03(3.08%)	0.000880957	0.885135841 Hartree
231	RY(2)H8 s(66.52%)p0.50(33.48%)	0.000242047	2.690503217 Hartree
232	RY(3)H8 s(0.09%)p99.99(99.91%)	0.000086678	1.864438920 Hartree
233	RY(4)H8 s(10.80%)p8.26(89.20%)	0.000035082	2.265844988 Hartree
234	RY(5)H8 s(25.72%)p2.89(74.28%)	0.000017488	2.278300096 Hartree
235	RY(1)H9 s(96.16%)p0.04(3.84%)	0.001164404	0.869565819 Hartree
236	RY(2)H9 s(68.06%)p0.47(31.94%)	0.000183939	2.587239049 Hartree
237	RY(3)H9 s(0.04%)p99.99(99.96%)	0.000085151	1.857069580 Hartree
238	RY(4)H9 s(0.00%)p1.00(100.00%)	0.000030964	2.244306573 Hartree
239	RY(5)H9 s(35.80%)p1.79(64.20%)	0.000022026	2.333930655 Hartree
240	RY(1)H10 s(96.84%)p0.03(3.16%)	0.000847904	0.896004018 Hartree
241	RY(2)H10 s(67.28%)p0.49(32.72%)	0.000244561	2.691411749 Hartree
242	RY(3)H10 s(0.04%)p99.99(99.96%)	0.000086734	1.864003677 Hartree
243	RY(4)H10 s(11.69%)p7.55(88.31%)	0.000035049	2.266427156 Hartree
244	RY(5)H10 s(24.20%)p3.13(75.80%)	0.000018575	2.277165587 Hartree
245	RY(1)C11 s(0.11%)p99.99(97.33%)d22.98(2.56%)	0.003597863	0.831349779 Hartree
246	RY(2)C11 s(0.34%)p99.99(74.40%)d73.93(25.26%)	0.001030665	0.831060386 Hartree
247	RY(3)C11 s(15.97%)p4.77(76.16%)d0.49(7.87%)	0.000543477	0.819546216 Hartree
248	RY(4)C11 s(15.40%)p1.79(27.56%)d3.70(57.04%)	0.000250254	2.304014194 Hartree
249	RY(5)C11 s(8.35%)p2.14(17.90%)d8.83(73.75%)	0.000143987	2.067169476 Hartree
250	RY(6)C11 s(2.83%)p7.35(20.80%)d26.98(76.37%)	0.000092117	1.524363841 Hartree
251	RY(7)C11 s(14.81%)p2.15(31.84%)d3.60(53.35%)	0.000084594	1.404676738 Hartree
252	RY(8)C11 s(10.16%)p6.19(62.90%)d2.65(26.94%)	0.000052818	1.421762562 Hartree
253	RY(9)C11 s(14.84%)p3.85(57.10%)d1.89(28.06%)	0.000041686	1.121505576 Hartree
254	RY(10)C11 s(8.04%)p3.95(31.71%)d7.50(60.26%)	0.000033009	1.409194988 Hartree
255	RY(11)C11 s(7.90%)p5.34(42.16%)d6.32(49.95%)	0.000031465	1.221189966 Hartree
256	RY(12)C11 s(35.56%)p1.33(47.36%)d0.48(17.08%)	0.000008960	2.278020274 Hartree
257	RY(13)C11 s(13.87%)p2.57(35.65%)d3.64(50.49%)	0.000005543	2.309148721 Hartree
258	RY(14)C11 s(6.22%)p9.74(60.57%)d5.34(33.21%)	0.000003917	2.827533570 Hartree
259	RY(15)C11 s(37.48%)p0.66(24.59%)d1.01(37.93%)	0.000003715	3.112659758 Hartree
260	RY(16)C11 s(6.15%)p2.49(15.34%)d12.77(78.52%)	0.000002262	3.437573017 Hartree
261	RY(17)C11 s(41.35%)p0.58(23.85%)d0.84(34.80%)	0.000000819	9.133479463 Hartree
262	RY(18)C11 s(15.85%)p3.37(53.47%)d1.94(30.68%)	0.000001482	4.127078803 Hartree
263	RY(19)C11 s(17.87%)p2.03(36.26%)d2.57(45.87%)	0.000000182	6.870731508 Hartree
264	RY(20)C11 s(19.44%)p2.59(50.33%)d1.56(30.23%)	0.000000617	5.759141083 Hartree
265	RY(21)C11 s(5.20%)p2.32(12.06%)d15.91(82.74%)	0.000000021	4.418325499 Hartree
266	RY(22)C11 s(2.28%)p0.46(1.05%)d42.43(96.67%)	0.000000079	3.908564845 Hartree
267	RY(1)H12 s(98.55%)p0.01(1.45%)	0.000912968	0.606946765 Hartree
268	RY(2)H12 s(62.19%)p0.61(37.81%)	0.000070034	2.200096436 Hartree
269	RY(3)H12 s(22.92%)p3.36(77.08%)	0.000038895	2.106801835 Hartree
270	RY(4)H12 s(0.17%)p99.99(99.83%)	0.000022123	2.519102126 Hartree
271	RY(5)H12 s(16.22%)p5.17(83.78%)	0.000017563	2.154521851 Hartree
272	RY(1)H13 s(97.66%)p0.02(2.34%)	0.000654916	0.659035706 Hartree
273	RY(2)H13 s(79.81%)p0.25(20.19%)	0.000072979	2.336040947 Hartree
274	RY(3)H13 s(5.49%)p17.23(94.51%)	0.000027041	2.214723712 Hartree
275	RY(4)H13 s(0.47%)p99.99(99.53%)	0.000019566	2.172104980 Hartree
276	RY(5)H13 s(16.63%)p5.01(83.37%)	0.000011754	2.147960560 Hartree
277	RY(1)H14 s(99.40%)p0.01(0.60%)	0.001107215	0.829183338 Hartree
278	RY(2)H14 s(67.62%)p0.48(32.38%)	0.000110599	2.153562263 Hartree
279	RY(3)H14 s(25.65%)p2.90(74.35%)	0.000049001	2.097661970 Hartree
280	RY(4)H14 s(0.56%)p99.99(99.44%)	0.000021309	2.458870970 Hartree
281	RY(5)H14 s(6.83%)p13.63(93.17%)	0.000013436	2.090046849 Hartree
282	RY(1)O15 s(0.35%)p99.99(99.01%)d1.84(0.64%)	0.006134081	0.846311764 Hartree
283	RY(2)O15 s(13.29%)p6.18(82.13%)d0.34(4.58%)	0.003719436	0.798654442 Hartree
284	RY(3)O15 s(24.67%)p2.73(67.44%)d0.32(7.88%)	0.000794634	1.388220236 Hartree
285	RY(4)O15 s(10.23%)p7.83(80.08%)d0.95(9.69%)	0.000547734	1.008558670 Hartree
286	RY(5)O15 s(20.45%)p2.76(56.53%)d1.13(23.02%)	0.000424578	2.363857797 Hartree
287	RY(6)O15 s(4.05%)p15.50(62.72%)d8.21(33.23%)	0.000132235	1.979738560 Hartree
288	RY(7)O15 s(8.30%)p0.85(7.04%)d10.20(84.66%)	0.000083138	2.385813605 Hartree
289	RY(8)O15 s(59.29%)p0.05(3.05%)d0.64(37.66%)	0.000064422	3.146867086 Hartree
290	RY(9)O15 s(14.68%)p0.88(12.90%)d4.93(72.42%)	0.000048673	3.745365782 Hartree
291	RY(10)O15 s(4.38%)p5.32(23.31%)d16.49(72.30%)	0.000034981	2.435190473 Hartree
292	RY(11)O15 s(0.12%)p99.99(41.57%)d99.99(58.31%)	0.000026632	2.570587004 Hartree
293	RY(12)O15 s(27.17%)p0.22(5.96%)d2.46(66.87%)	0.000014189	2.896982413 Hartree
294	RY(13)O15 s(0.63%)p7.52(4.72%)d99.99(94.65%)	0.000010766	2.483760964 Hartree
295	RY(14)O15 s(7.94%)p7.20(57.13%)d4.40(34.93%)	0.000006648	2.031157971 Hartree
296	RY(15)O15 s(0.70%)p45.93(32.24%)d95.51(67.05%)	0.000004013	5.613912200 Hartree
297	RY(16)O15 s(0.30%)p99.99(64.05%)d99.99(35.65%)	0.000000217	5.837189711 Hartree
298	RY(17)O15 s(92.31%)p0.01(0.61%)d0.08(7.09%)	0.000000016	45.722702954 Hartree
299	RY(18)O15 s(0.38%)p51.02(19.56%)d99.99(80.06%)	0.000000748	6.276772884 Hartree
300	RY(19)O15 s(1.06%)p16.47(17.45%)d76.95(81.49%)	0.000001706	6.495635705 Hartree
301	RY(20)O15 s(2.13%)p29.09(61.92%)d16.89(35.95%)	0.000001209	6.011631872 Hartree
302	RY(21)O15 s(0.85%)p99.55(84.70%)d16.98(14.45%)	0.000000497	5.534943191 Hartree
303	RY(22)O15 s(6.74%)p2.45(16.50%)d11.38(76.76%)	0.000000120	9.515817485 Hartree
304	RY(1)C16 s(0.73%)p99.99(83.94%)d20.86(15.33%)	0.003505725	1.066821524 Hartree
305	RY(2)C16 s(4.31%)p20.06(86.36%)d2.17(9.34%)	0.002557100	0.964159833 Hartree
306	RY(3)C16 s(48.41%)p0.24(11.52%)d0.83(40.06%)	0.001603567	1.658074753 Hartree
307	RY(4)C16 s(9.66%)p4.64(44.82%)d4.72(45.53%)	0.001071816	1.572465040 Hartree
308	RY(5)C16 s(0.65%)p91.37(59.76%)d60.53(39.59%)	0.000498242	1.597426253 Hartree
309	RY(6)C16 s(32.58%)p0.90(29.24%)d1.17(38.17%)	0.000345408	3.743107512 Hartree
310	RY(7)C16 s(8.16%)p3.77(30.73%)d7.49(61.11%)	0.000256674	1.828811578 Hartree
311	RY(8)C16 s(19.69%)p1.71(33.60%)d2.37(46.71%)	0.000150344	1.621928898 Hartree
312	RY(9)C16 s(5.25%)p10.29(54.01%)d7.76(40.74%)	0.000126843	2.117199379 Hartree
313	RY(10)C16 s(17.37%)p2.93(50.91%)d1.83(31.72%)	0.000080101	2.362470175 Hartree
314	RY(11)C16 s(27.56%)p1.52(41.91%)d1.11(30.53%)	0.000047582	2.569975222 Hartree
315	RY(12)C16 s(11.43%)p5.30(60.61%)d2.45(27.97%)	0.000037000	2.576291221 Hartree
316	RY(13)C16 s(3.57%)p10.34(36.95%)d16.64(59.47%)	0.000030141	2.604440017 Hartree
317	RY(14)C16 s(0.43%)p14.46(6.18%)d99.99(93.39%)	0.000011297	2.054505390 Hartree
318	RY(15)C16 s(1.25%)p46.23(57.66%)d32.95(41.09%)	0.000007428	3.153772725 Hartree
319	RY(16)C16 s(7.06%)p3.84(27.13%)d9.32(65.81%)	0.000003616	3.567434836 Hartree
320	RY(17)C16 s(47.96%)p0.42(20.27%)d0.66(31.77%)	0.000002410	9.104674540 Hartree
321	RY(18)C16 s(22.03%)p1.21(26.57%)d2.33(51.41%)	0.000000903	4.774206027 Hartree
322	RY(19)C16 s(0.53%)p99.99(74.62%)d47.17(24.86%)	0.000000156	3.562357025 Hartree
323	RY(20)C16 s(8.99%)p1.90(17.12%)d8.22(73.89%)	0.000000557	2.967617927 Hartree
324	RY(21)C16 s(13.58%)p2.68(36.45%)d3.68(49.97%)	0.000001317	3.466420334 Hartree
325	RY(22)C16 s(8.74%)p1.17(10.18%)d9.28(81.08%)	0.000000268	4.847924050 Hartree
326	RY(1)C17 s(5.04%)p17.21(86.66%)d1.65(8.31%)	0.002278876	1.016318965 Hartree
327	RY(2)C17 s(0.54%)p99.99(88.40%)d20.60(11.06%)	0.001838143	0.901550352 Hartree
328	RY(3)C17 s(12.54%)p5.08(63.62%)d1.90(23.84%)	0.000911422	1.322647309 Hartree
329	RY(4)C17 s(31.82%)p1.76(55.95%)d0.38(12.23%)	0.000390393	1.322387957 Hartree
330	RY(5)C17 s(42.90%)p1.21(52.10%)d0.12(5.00%)	0.000370244	2.260757875 Hartree
331	RY(6)C17 s(31.69%)p1.09(34.42%)d1.07(33.89%)	0.000242664	1.847200755 Hartree
332	RY(7)C17 s(1.09%)p15.75(17.10%)d75.35(81.82%)	0.000203825	2.704713587 Hartree
333	RY(8)C17 s(1.62%)p32.33(52.44%)d28.32(45.93%)	0.000088298	2.271398564 Hartree
334	RY(9)C17 s(23.80%)p0.82(19.50%)d2.38(56.71%)	0.000067059	2.882868763 Hartree
335	RY(10)C17 s(4.21%)p9.10(38.32%)d13.65(57.47%)	0.000044011	1.884610725 Hartree
336	RY(11)C17 s(1.07%)p16.58(17.66%)d76.31(81.28%)	0.000033908	1.809297892 Hartree
337	RY(12)C17 s(10.40%)p5.41(56.32%)d3.20(33.28%)	0.000016394	2.155255418 Hartree
338	RY(13)C17 s(10.06%)p2.49(25.02%)d6.45(64.92%)	0.000010040	2.149373917 Hartree
339	RY(14)C17 s(7.42%)p4.45(33.07%)d8.02(59.51%)	0.000007694	2.010894880 Hartree
340	RY(15)C17 s(11.04%)p4.38(48.34%)d3.68(40.62%)	0.000005708	1.176258064 Hartree
341	RY(16)C17 s(2.90%)p9.99(29.01%)d23.44(68.08%)	0.000001887	2.381564100 Hartree
342	RY(17)C17 s(19.40%)p1.83(35.56%)d2.32(45.04%)	0.000001495	5.222679873 Hartree
343	RY(18)C17 s(0.34%)p6.30(2.14%)d99.99(97.52%)	0.000000097	3.335673801 Hartree
344	RY(19)C17 s(8.34%)p6.46(53.86%)d4.53(37.80%)	0.000000452	3.242603666 Hartree
345	RY(20)C17 s(71.27%)p0.21(14.74%)d0.20(13.99%)	0.000000396	15.594235457 Hartree
346	RY(21)C17 s(0.33%)p91.54(30.16%)d99.99(69.51%)	0.000001071	2.667644102 Hartree
347	RY(22)C17 s(2.10%)p21.91(46.08%)d24.65(51.82%)	0.000000252	3.742012571 Hartree
348	RY(1)C18 s(5.02%)p17.85(89.59%)d1.07(5.39%)	0.002385080	0.796222957 Hartree
349	RY(2)C18 s(0.01%)p99.99(81.66%)d99.99(18.33%)	0.000881516	0.960550461 Hartree
350	RY(3)C18 s(14.84%)p4.49(66.59%)d1.25(18.56%)	0.000160430	2.646363474 Hartree
351	RY(4)C18 s(4.70%)p1.16(5.44%)d19.11(89.86%)	0.000085809	1.199867261 Hartree
352	RY(5)C18 s(4.99%)p13.92(69.46%)d5.12(25.55%)	0.000055260	0.943279798 Hartree
353	RY(6)C18 s(5.04%)p4.26(21.47%)d14.58(73.49%)	0.000040540	1.780967559 Hartree
354	RY(7)C18 s(53.68%)p0.18(9.63%)d0.68(36.68%)	0.000027112	1.553789080 Hartree
355	RY(8)C18 s(31.94%)p1.04(33.09%)d1.09(34.96%)	0.000008478	1.200609281 Hartree
356	RY(9)C18 s(3.69%)p10.50(38.69%)d15.64(57.62%)	0.000003580	1.602221031 Hartree
357	RY(10)C18 s(0.83%)p70.24(58.29%)d49.25(40.88%)	0.000000172	3.476327209 Hartree
358	RY(11)C18 s(2.24%)p1.22(2.74%)d42.47(95.03%)	0.000000018	3.928977840 Hartree
359	RY(12)C18 s(6.50%)p7.29(47.39%)d7.09(46.10%)	0.000000857	2.477935063 Hartree
360	RY(13)C18 s(14.16%)p4.91(69.60%)d1.15(16.24%)	0.000001761	1.311957045 Hartree
361	RY(14)C18 s(12.39%)p2.99(37.02%)d4.08(50.58%)	0.000002606	2.516815595 Hartree
362	RY(15)C18 s(45.73%)p0.36(16.64%)d0.82(37.63%)	0.000002050	3.192195699 Hartree
363	RY(16)C18 s(17.81%)p0.91(16.25%)d3.70(65.94%)	0.000001631	1.643297937 Hartree
364	RY(17)C18 s(43.81%)p1.07(46.71%)d0.22(9.48%)	0.000000041	11.037295185 Hartree
365	RY(18)C18 s(0.83%)p2.12(1.76%)d99.99(97.40%)	0.000000003	3.660160146 Hartree
366	RY(19)C18 s(1.53%)p18.44(28.31%)d45.71(70.16%)	0.000000026	3.464905318 Hartree
367	RY(20)C18 s(5.65%)p9.71(54.85%)d6.99(39.49%)	0.000000349	2.946161562 Hartree
368	RY(21)C18 s(15.40%)p3.10(47.75%)d2.39(36.85%)	0.000000142	6.496920365 Hartree
369	RY(22)C18 s(9.19%)p6.25(57.43%)d3.63(33.38%)	0.000000585	4.361686625 Hartree
370	RY(1)H19 s(95.71%)p0.04(4.29%)	0.000567278	0.532256451 Hartree
371	RY(2)H19 s(46.53%)p1.15(53.47%)	0.000049989	2.283630714 Hartree
372	RY(3)H19 s(0.05%)p99.99(99.95%)	0.000021869	1.930291409 Hartree
373	RY(4)H19 s(4.63%)p20.62(95.37%)	0.000012820	2.369304174 Hartree
374	RY(5)H19 s(53.12%)p0.88(46.88%)	0.000006604	2.183097928 Hartree
375	RY(1)H20 s(99.11%)p0.01(0.89%)	0.000909054	0.597464498 Hartree
376	RY(2)H20 s(75.27%)p0.33(24.73%)	0.000073525	2.437875152 Hartree
377	RY(3)H20 s(2.25%)p43.53(97.75%)	0.000040850	2.064187485 Hartree
378	RY(4)H20 s(5.45%)p17.35(94.55%)	0.000018103	2.178055546 Hartree
379	RY(5)H20 s(17.97%)p4.57(82.03%)	0.000011934	2.044887757 Hartree
380	RY(1)H21 s(98.88%)p0.01(1.12%)	0.000883221	0.603030696 Hartree
381	RY(2)H21 s(77.11%)p0.30(22.89%)	0.000074950	2.379411406 Hartree
382	RY(3)H21 s(5.26%)p18.01(94.74%)	0.000037323	2.068641644 Hartree
383	RY(4)H21 s(4.91%)p19.37(95.09%)	0.000017667	2.256998598 Hartree
384	RY(5)H21 s(13.88%)p6.20(86.12%)	0.000014011	2.016149837 Hartree
385	RY(1)H22 s(99.29%)p0.01(0.71%)	0.001240469	0.688159726 Hartree
386	RY(2)H22 s(43.66%)p1.29(56.34%)	0.000094847	2.244551715 Hartree
387	RY(3)H22 s(38.60%)p1.59(61.40%)	0.000061884	2.270438075 Hartree
388	RY(4)H22 s(1.82%)p53.84(98.18%)	0.000031551	2.497160100 Hartree
389	RY(5)H22 s(16.68%)p4.99(83.32%)	0.000016087	2.112829693 Hartree
390	RY(1)H23 s(99.18%)p0.01(0.82%)	0.001538500	0.615072875 Hartree
391	RY(2)H23 s(62.44%)p0.60(37.56%)	0.000089557	2.347738877 Hartree
392	RY(3)H23 s(26.96%)p2.71(73.04%)	0.000079270	2.219148929 Hartree
393	RY(4)H23 s(6.73%)p13.87(93.27%)	0.000030322	2.418450730 Hartree
394	RY(5)H23 s(4.75%)p20.03(95.25%)	0.000017863	2.078663736 Hartree
395	RY(1)H24 s(99.02%)p0.01(0.98%)	0.000835455	0.710004366 Hartree
396	RY(2)H24 s(35.85%)p1.79(64.15%)	0.000082821	2.144000036 Hartree
397	RY(3)H24 s(19.04%)p4.25(80.96%)	0.000053100	2.468475719 Hartree
398	RY(4)H24 s(40.13%)p1.49(59.87%)	0.000026517	2.210449334 Hartree
399	RY(5)H24 s(6.04%)p15.57(93.96%)	0.000010667	2.208641089 Hartree
400	RY(1)H25 s(99.38%)p0.01(0.62%)	0.001527992	0.705180077 Hartree
401	RY(2)H25 s(34.14%)p1.93(65.86%)	0.000107749	2.175553912 Hartree
402	RY(3)H25 s(1.50%)p65.45(98.50%)	0.000050535	2.184411806 Hartree
403	RY(4)H25 s(63.72%)p0.57(36.28%)	0.000034936	2.519947319 Hartree
404	RY(5)H25 s(1.32%)p74.58(98.68%)	0.000016976	2.283703434 Hartree
405	RY(1)H26 s(97.47%)p0.03(2.53%)	0.000684561	0.663294727 Hartree
406	RY(2)H26 s(80.34%)p0.24(19.66%)	0.000074604	2.315472530 Hartree
407	RY(3)H26 s(6.07%)p15.49(93.93%)	0.000028979	2.078732036 Hartree
408	RY(4)H26 s(0.82%)p99.99(99.18%)	0.000020900	2.309795796 Hartree
409	RY(5)H26 s(15.36%)p5.51(84.64%)	0.000013477	2.152997112 Hartree
410	RY(1)H27 s(97.92%)p0.02(2.08%)	0.000818670	0.636977152 Hartree
411	RY(2)H27 s(86.14%)p0.16(13.86%)	0.000077254	2.229758786 Hartree
412	RY(3)H27 s(1.38%)p71.67(98.62%)	0.000045129	2.087002121 Hartree
413	RY(4)H27 s(0.04%)p99.99(99.96%)	0.000020436	2.380526809 Hartree
414	RY(5)H27 s(14.58%)p5.86(85.42%)	0.000014171	2.264340868 Hartree
415	RY(1)H28 s(99.44%)p0.01(0.56%)	0.001105340	0.845705718 Hartree
416	RY(2)H28 s(72.24%)p0.38(27.76%)	0.000110003	2.181821240 Hartree
417	RY(3)H28 s(21.03%)p3.75(78.97%)	0.000048414	2.097718006 Hartree
418	RY(4)H28 s(1.40%)p70.33(98.60%)	0.000019714	2.347540863 Hartree
419	RY(5)H28 s(5.94%)p15.84(94.06%)	0.000009871	2.102501473 Hartree
420			********** Hartree

Natural Bond Orbitals

Display Range		- / 420
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	CR(1)C1	54	1.999992120	-10.530232653 Hartree
2	CR(1)C2	55	1.999992875	-10.545013564 Hartree
3	CR(1)C3	56	1.999991354	-10.587251202 Hartree
4	CR(1)C4	57	1.999992898	-10.543639758 Hartree
5	CR(1)C5	58	1.999992795	-10.533177169 Hartree
6	CR(1)C6	59	1.999993048	-10.533458305 Hartree
7	CR(1)C7	60	1.999992827	-10.533672193 Hartree
8	CR(1)C11	61	1.999992085	-10.526015026 Hartree
9	CR(1)O15	62	1.999996553	-19.633701122 Hartree
10	CR(1)C16	63	1.999991960	-10.586114917 Hartree
11	CR(1)C17	64	1.999993169	-10.533362073 Hartree
12	CR(1)C18	65	1.999993124	-10.529281916 Hartree
13	LP(1)O15	66	1.951443651	-0.525024251 Hartree
14	LP(2)O15	67	1.924120858	-0.422816736 Hartree
15	BD(1)C1-C2	68, 69	1.980548184	-0.608684581 Hartree
16	BD(1)C1-H26	70, 71	1.985697379	-0.534971141 Hartree
17	BD(1)C1-H27	72, 73	1.978213175	-0.534945623 Hartree
18	BD(1)C1-H28	74, 75	1.987523027	-0.533968172 Hartree
19	BD(1)C2-C3	76, 77	1.972019381	-0.668966274 Hartree
20	BD(2)C2-C3	78, 79	1.645963841	-0.287818306 Hartree
21	BD(1)C2-C7	80, 81	1.971450420	-0.657731406 Hartree
22	BD(1)C3-C4	82, 83	1.970983400	-0.667985305 Hartree
23	BD(1)C3-O15	84, 85	1.989217178	-0.852368152 Hartree
24	BD(1)C4-C5	86, 87	1.971740633	-0.657338839 Hartree
25	BD(2)C4-C5	88, 89	1.662488150	-0.282515808 Hartree
26	BD(1)C4-C11	90, 91	1.980276352	-0.605791032 Hartree
27	BD(1)C5-C6	92, 93	1.976969864	-0.658891956 Hartree
28	BD(1)C5-H10	94, 95	1.981080765	-0.543035151 Hartree
29	BD(1)C6-C7	96, 97	1.977034148	-0.659525627 Hartree
30	BD(2)C6-C7	98, 99	1.679921344	-0.285176950 Hartree
31	BD(1)C6-H9	100, 101	1.981652570	-0.544471027 Hartree
32	BD(1)C7-H8	102, 103	1.981051271	-0.543637536 Hartree
33	BD(1)C11-H12	104, 105	1.977357035	-0.530010189 Hartree
34	BD(1)C11-H13	106, 107	1.987430775	-0.532002310 Hartree
35	BD(1)C11-H14	108, 109	1.986095010	-0.528758519 Hartree
36	BD(1)O15-C16	110, 111	1.980963138	-0.797150443 Hartree
37	BD(1)C16-C17	112, 113	1.987251929	-0.612284732 Hartree
38	BD(1)C16-H24	114, 115	1.983748615	-0.549564138 Hartree
39	BD(1)C16-H25	116, 117	1.987154457	-0.554032386 Hartree
40	BD(1)C17-C18	118, 119	1.985950332	-0.598679444 Hartree
41	BD(1)C17-H22	120, 121	1.977779067	-0.528259874 Hartree
42	BD(1)C17-H23	122, 123	1.979038776	-0.527973013 Hartree
43	BD(1)C18-H19	124, 125	1.989530306	-0.536101997 Hartree
44	BD(1)C18-H20	126, 127	1.989956508	-0.536589169 Hartree
45	BD(1)C18-H21	128, 129	1.989784909	-0.536407413 Hartree
46	BD*(1)C1-C2		0.015275532	0.485293137 Hartree
47	BD*(1)C1-H26		0.006874944	0.475710765 Hartree
48	BD*(1)C1-H27		0.010029264	0.463386836 Hartree
49	BD*(1)C1-H28		0.006676650	0.478905725 Hartree
50	BD*(1)C2-C3		0.036738911	0.640999244 Hartree
51	BD*(2)C2-C3		0.373919954	0.074305032 Hartree
52	BD*(1)C2-C7		0.020979047	0.653743129 Hartree
53	BD*(1)C3-C4		0.035615971	0.643018026 Hartree
54	BD*(1)C3-O15		0.028213149	0.437925521 Hartree
55	BD*(1)C4-C5		0.020961865	0.654948008 Hartree
56	BD*(2)C4-C5		0.356004405	0.077187484 Hartree
57	BD*(1)C4-C11		0.015186407	0.489233786 Hartree
58	BD*(1)C5-C6		0.014878510	0.653021952 Hartree
59	BD*(1)C5-H10		0.014675419	0.510629540 Hartree
60	BD*(1)C6-C7		0.014826490	0.653825953 Hartree
61	BD*(2)C6-C7		0.346313598	0.072553451 Hartree
62	BD*(1)C6-H9		0.013643723	0.514393900 Hartree
63	BD*(1)C7-H8		0.014725147	0.509123202 Hartree
64	BD*(1)C11-H12		0.010291239	0.468002278 Hartree
65	BD*(1)C11-H13		0.006047200	0.477136135 Hartree
66	BD*(1)C11-H14		0.006592464	0.484336430 Hartree
67	BD*(1)O15-C16		0.020546895	0.369709132 Hartree
68	BD*(1)C16-C17		0.022657596	0.453538369 Hartree
69	BD*(1)C16-H24		0.018235092	0.463807154 Hartree
70	BD*(1)C16-H25		0.025041159	0.452977623 Hartree
71	BD*(1)C17-C18		0.005967066	0.449584351 Hartree
72	BD*(1)C17-H22		0.016160989	0.466583513 Hartree
73	BD*(1)C17-H23		0.016102181	0.466314838 Hartree
74	BD*(1)C18-H19		0.005285673	0.474943634 Hartree
75	BD*(1)C18-H20		0.008492139	0.466540901 Hartree
76	BD*(1)C18-H21		0.008373110	0.467261018 Hartree
77	RY(1)C1	130	0.003037746	0.817086181 Hartree
78	RY(2)C1	131	0.001066357	0.886976494 Hartree
79	RY(3)C1	132	0.000501528	0.733009714 Hartree
80	RY(4)C1	133	0.000261273	2.219636342 Hartree
81	RY(5)C1	134	0.000160794	2.214595074 Hartree
82	RY(6)C1	135	0.000102538	1.329175509 Hartree
83	RY(7)C1	136	0.000045486	1.135127011 Hartree
84	RY(8)C1	137	0.000039054	1.739444779 Hartree
85	RY(9)C1	138	0.000035670	1.644772047 Hartree
86	RY(10)C1	139	0.000019883	1.132392295 Hartree
87	RY(11)C1	140	0.000015942	2.570921089 Hartree
88	RY(12)C1	141	0.000007482	2.683771785 Hartree
89	RY(13)C1	142	0.000005663	3.079115320 Hartree
90	RY(14)C1	143	0.000003505	4.231545022 Hartree
91	RY(15)C1	144	0.000003985	1.616551952 Hartree
92	RY(16)C1	145	0.000001951	3.492963245 Hartree
93	RY(17)C1	146	0.000000458	3.559819482 Hartree
94	RY(18)C1	147	0.000000048	4.874264079 Hartree
95	RY(19)C1	148	0.000000293	3.049065077 Hartree
96	RY(20)C1	149	0.000000853	10.919920219 Hartree
97	RY(21)C1	150	0.000000064	4.913959342 Hartree
98	RY(22)C1	151	0.000000167	3.779185151 Hartree
99	RY(1)C2	152	0.005052711	1.518789828 Hartree
100	RY(2)C2	153	0.002707452	1.298067426 Hartree
101	RY(3)C2	154	0.001625940	0.818442205 Hartree
102	RY(4)C2	155	0.000720044	1.918161495 Hartree
103	RY(5)C2	156	0.000610057	1.970914291 Hartree
104	RY(6)C2	157	0.000374841	2.844897783 Hartree
105	RY(7)C2	158	0.000248311	2.313672239 Hartree
106	RY(8)C2	159	0.000173381	3.721699093 Hartree
107	RY(9)C2	160	0.000135974	2.355259143 Hartree
108	RY(10)C2	161	0.000097700	2.555094314 Hartree
109	RY(11)C2	162	0.000091130	3.495776253 Hartree
110	RY(12)C2	163	0.000061225	1.871069414 Hartree
111	RY(13)C2	164	0.000037209	2.549248964 Hartree
112	RY(14)C2	165	0.000020962	2.187959601 Hartree
113	RY(15)C2	166	0.000017099	2.264768702 Hartree
114	RY(16)C2	167	0.000010495	6.191289534 Hartree
115	RY(17)C2	168	0.000007222	3.879172638 Hartree
116	RY(18)C2	169	0.000005905	6.492775841 Hartree
117	RY(19)C2	170	0.000005021	2.664058595 Hartree
118	RY(20)C2	171	0.000001622	4.002986765 Hartree
119	RY(21)C2	172	0.000000388	4.478129435 Hartree
120	RY(22)C2	173	0.000000559	4.498958256 Hartree
121	RY(1)C3	174	0.006059173	1.547546904 Hartree
122	RY(2)C3	175	0.002953107	1.015992896 Hartree
123	RY(3)C3	176	0.002633829	1.332028934 Hartree
124	RY(4)C3	177	0.001414926	2.588656048 Hartree
125	RY(5)C3	178	0.001147831	1.902508325 Hartree
126	RY(6)C3	179	0.000602129	2.004396807 Hartree
127	RY(7)C3	180	0.000562082	1.966169866 Hartree
128	RY(8)C3	181	0.000414779	3.030251024 Hartree
129	RY(9)C3	182	0.000385593	2.783572953 Hartree
130	RY(10)C3	183	0.000336588	2.451192827 Hartree
131	RY(11)C3	184	0.000166200	1.313997096 Hartree
132	RY(12)C3	185	0.000072968	2.972954773 Hartree
133	RY(13)C3	186	0.000055218	2.197311366 Hartree
134	RY(14)C3	187	0.000051191	1.980765572 Hartree
135	RY(15)C3	188	0.000039476	3.141715660 Hartree
136	RY(16)C3	189	0.000018862	4.025496176 Hartree
137	RY(17)C3	190	0.000015526	1.790798870 Hartree
138	RY(18)C3	191	0.000005516	3.556719317 Hartree
139	RY(19)C3	192	0.000004538	3.828718135 Hartree
140	RY(20)C3	193	0.000002759	3.475580521 Hartree
141	RY(21)C3	194	0.000000255	16.129604867 Hartree
142	RY(1)C4	195	0.005204868	1.499787845 Hartree
143	RY(2)C4	196	0.002760276	1.277373947 Hartree
144	RY(3)C4	197	0.001639558	0.781818193 Hartree
145	RY(4)C4	198	0.000766197	1.905494895 Hartree
146	RY(5)C4	199	0.000585543	1.921513989 Hartree
147	RY(6)C4	200	0.000351986	3.538916934 Hartree
148	RY(7)C4	201	0.000293794	1.841057018 Hartree
149	RY(8)C4	202	0.000202374	3.484656870 Hartree
150	RY(9)C4	203	0.000144476	1.835437103 Hartree
151	RY(10)C4	204	0.000103050	3.308160473 Hartree
152	RY(11)C4	205	0.000096523	2.459441239 Hartree
153	RY(12)C4	206	0.000060696	2.365825325 Hartree
154	RY(13)C4	207	0.000045669	2.869826983 Hartree
155	RY(14)C4	208	0.000026699	2.393969761 Hartree
156	RY(15)C4	209	0.000018632	2.507461199 Hartree
157	RY(16)C4	210	0.000011345	5.996406651 Hartree
158	RY(17)C4	211	0.000011132	2.315063056 Hartree
159	RY(18)C4	212	0.000007149	3.115582233 Hartree
160	RY(19)C4	213	0.000003131	4.656091619 Hartree
161	RY(20)C4	214	0.000001811	7.762214650 Hartree
162	RY(21)C4	215	0.000000726	4.380236384 Hartree
163	RY(22)C4	216	0.000001193	4.695208641 Hartree
164	RY(1)C5	217	0.005400975	1.497158218 Hartree
165	RY(2)C5	218	0.001788457	1.181286582 Hartree
166	RY(3)C5	219	0.001024372	0.616450733 Hartree
167	RY(4)C5	220	0.000504684	2.113204461 Hartree
168	RY(5)C5	221	0.000389739	2.400553881 Hartree
169	RY(6)C5	222	0.000249715	2.370510153 Hartree
170	RY(7)C5	223	0.000171557	2.866208775 Hartree
171	RY(8)C5	224	0.000125632	1.852654067 Hartree
172	RY(9)C5	225	0.000061053	1.500250566 Hartree
173	RY(10)C5	226	0.000046380	1.185815641 Hartree
174	RY(11)C5	227	0.000023505	1.493720219 Hartree
175	RY(12)C5	228	0.000018628	2.426972797 Hartree
176	RY(13)C5	229	0.000013615	9.036496766 Hartree
177	RY(14)C5	230	0.000005547	2.821740912 Hartree
178	RY(15)C5	231	0.000003310	5.268487576 Hartree
179	RY(16)C5	232	0.000004090	4.627728409 Hartree
180	RY(17)C5	233	0.000001222	2.610998372 Hartree
181	RY(18)C5	234	0.000001920	2.039228967 Hartree
182	RY(19)C5	235	0.000000023	3.251602552 Hartree
183	RY(20)C5	236	0.000000427	5.318134011 Hartree
184	RY(21)C5	237	0.000000144	3.286295519 Hartree
185	RY(22)C5	238	0.000000567	4.213177159 Hartree
186	RY(1)C6	239	0.005516303	1.404469313 Hartree
187	RY(2)C6	240	0.001878944	1.400974007 Hartree
188	RY(3)C6	241	0.000946627	0.515927114 Hartree
189	RY(4)C6	242	0.000483948	2.412902441 Hartree
190	RY(5)C6	243	0.000364140	3.073388443 Hartree
191	RY(6)C6	244	0.000195647	3.267591217 Hartree
192	RY(7)C6	245	0.000089958	2.247651537 Hartree
193	RY(8)C6	246	0.000025104	1.758191876 Hartree
194	RY(9)C6	247	0.000023070	1.205727477 Hartree
195	RY(10)C6	248	0.000014934	1.368420253 Hartree
196	RY(11)C6	249	0.000012638	3.060909120 Hartree
197	RY(12)C6	250	0.000006502	2.247956794 Hartree
198	RY(13)C6	251	0.000007464	1.586258228 Hartree
199	RY(14)C6	252	0.000005320	5.493851044 Hartree
200	RY(15)C6	253	0.000004290	2.329529728 Hartree
201	RY(16)C6	254	0.000002165	5.344604929 Hartree
202	RY(17)C6	255	0.000001123	3.384394413 Hartree
203	RY(18)C6	256	0.000000114	8.233923359 Hartree
204	RY(19)C6	257	0.000000734	2.494602528 Hartree
205	RY(20)C6	258	0.000000152	3.341006277 Hartree
206	RY(21)C6	259	0.000000641	4.712427715 Hartree
207	RY(22)C6	260	0.000000009	3.446491908 Hartree
208	RY(1)C7	261	0.005491945	1.482306548 Hartree
209	RY(2)C7	262	0.001825783	1.192647522 Hartree
210	RY(3)C7	263	0.000986164	0.577001061 Hartree
211	RY(4)C7	264	0.000514324	2.251919530 Hartree
212	RY(5)C7	265	0.000387608	2.467045850 Hartree
213	RY(6)C7	266	0.000241510	2.628094430 Hartree
214	RY(7)C7	267	0.000174176	2.660737873 Hartree
215	RY(8)C7	268	0.000111430	1.713799779 Hartree
216	RY(9)C7	269	0.000058605	1.475804523 Hartree
217	RY(10)C7	270	0.000041691	1.337995853 Hartree
218	RY(11)C7	271	0.000025031	1.382764533 Hartree
219	RY(12)C7	272	0.000014832	6.625594944 Hartree
220	RY(13)C7	273	0.000012765	2.206672856 Hartree
221	RY(14)C7	274	0.000004930	7.257305662 Hartree
222	RY(15)C7	275	0.000003190	2.650251436 Hartree
223	RY(16)C7	276	0.000003800	5.609721473 Hartree
224	RY(17)C7	277	0.000001189	2.871994784 Hartree
225	RY(18)C7	278	0.000001857	1.010527864 Hartree
226	RY(19)C7	279	0.000000221	3.371250323 Hartree
227	RY(20)C7	280	0.000000618	6.758398729 Hartree
228	RY(21)C7	281	0.000000156	3.147125845 Hartree
229	RY(22)C7	282	0.000000018	3.356057860 Hartree
230	RY(1)H8	283	0.000880957	0.885135841 Hartree
231	RY(2)H8	284	0.000242047	2.690503217 Hartree
232	RY(3)H8	285	0.000086678	1.864438920 Hartree
233	RY(4)H8	286	0.000035082	2.265844988 Hartree
234	RY(5)H8	287	0.000017488	2.278300096 Hartree
235	RY(1)H9	288	0.001164404	0.869565819 Hartree
236	RY(2)H9	289	0.000183939	2.587239049 Hartree
237	RY(3)H9	290	0.000085151	1.857069580 Hartree
238	RY(4)H9	291	0.000030964	2.244306573 Hartree
239	RY(5)H9	292	0.000022026	2.333930655 Hartree
240	RY(1)H10	293	0.000847904	0.896004018 Hartree
241	RY(2)H10	294	0.000244561	2.691411749 Hartree
242	RY(3)H10	295	0.000086734	1.864003677 Hartree
243	RY(4)H10	296	0.000035049	2.266427156 Hartree
244	RY(5)H10	297	0.000018575	2.277165587 Hartree
245	RY(1)C11	298	0.003597863	0.831349779 Hartree
246	RY(2)C11	299	0.001030665	0.831060386 Hartree
247	RY(3)C11	300	0.000543477	0.819546216 Hartree
248	RY(4)C11	301	0.000250254	2.304014194 Hartree
249	RY(5)C11	302	0.000143987	2.067169476 Hartree
250	RY(6)C11	303	0.000092117	1.524363841 Hartree
251	RY(7)C11	304	0.000084594	1.404676738 Hartree
252	RY(8)C11	305	0.000052818	1.421762562 Hartree
253	RY(9)C11	306	0.000041686	1.121505576 Hartree
254	RY(10)C11	307	0.000033009	1.409194988 Hartree
255	RY(11)C11	308	0.000031465	1.221189966 Hartree
256	RY(12)C11	309	0.000008960	2.278020274 Hartree
257	RY(13)C11	310	0.000005543	2.309148721 Hartree
258	RY(14)C11	311	0.000003917	2.827533570 Hartree
259	RY(15)C11	312	0.000003715	3.112659758 Hartree
260	RY(16)C11	313	0.000002262	3.437573017 Hartree
261	RY(17)C11	314	0.000000819	9.133479463 Hartree
262	RY(18)C11	315	0.000001482	4.127078803 Hartree
263	RY(19)C11	316	0.000000182	6.870731508 Hartree
264	RY(20)C11	317	0.000000617	5.759141083 Hartree
265	RY(21)C11	318	0.000000021	4.418325499 Hartree
266	RY(22)C11	319	0.000000079	3.908564845 Hartree
267	RY(1)H12	320	0.000912968	0.606946765 Hartree
268	RY(2)H12	321	0.000070034	2.200096436 Hartree
269	RY(3)H12	322	0.000038895	2.106801835 Hartree
270	RY(4)H12	323	0.000022123	2.519102126 Hartree
271	RY(5)H12	324	0.000017563	2.154521851 Hartree
272	RY(1)H13	325	0.000654916	0.659035706 Hartree
273	RY(2)H13	326	0.000072979	2.336040947 Hartree
274	RY(3)H13	327	0.000027041	2.214723712 Hartree
275	RY(4)H13	328	0.000019566	2.172104980 Hartree
276	RY(5)H13	329	0.000011754	2.147960560 Hartree
277	RY(1)H14	330	0.001107215	0.829183338 Hartree
278	RY(2)H14	331	0.000110599	2.153562263 Hartree
279	RY(3)H14	332	0.000049001	2.097661970 Hartree
280	RY(4)H14	333	0.000021309	2.458870970 Hartree
281	RY(5)H14	334	0.000013436	2.090046849 Hartree
282	RY(1)O15	335	0.006134081	0.846311764 Hartree
283	RY(2)O15	336	0.003719436	0.798654442 Hartree
284	RY(3)O15	337	0.000794634	1.388220236 Hartree
285	RY(4)O15	338	0.000547734	1.008558670 Hartree
286	RY(5)O15	339	0.000424578	2.363857797 Hartree
287	RY(6)O15	340	0.000132235	1.979738560 Hartree
288	RY(7)O15	341	0.000083138	2.385813605 Hartree
289	RY(8)O15	342	0.000064422	3.146867086 Hartree
290	RY(9)O15	343	0.000048673	3.745365782 Hartree
291	RY(10)O15	344	0.000034981	2.435190473 Hartree
292	RY(11)O15	345	0.000026632	2.570587004 Hartree
293	RY(12)O15	346	0.000014189	2.896982413 Hartree
294	RY(13)O15	347	0.000010766	2.483760964 Hartree
295	RY(14)O15	348	0.000006648	2.031157971 Hartree
296	RY(15)O15	349	0.000004013	5.613912200 Hartree
297	RY(16)O15	350	0.000000217	5.837189711 Hartree
298	RY(17)O15	351	0.000000016	45.722702954 Hartree
299	RY(18)O15	352	0.000000748	6.276772884 Hartree
300	RY(19)O15	353	0.000001706	6.495635705 Hartree
301	RY(20)O15	354	0.000001209	6.011631872 Hartree
302	RY(21)O15	355	0.000000497	5.534943191 Hartree
303	RY(22)O15	356	0.000000120	9.515817485 Hartree
304	RY(1)C16	357	0.003505725	1.066821524 Hartree
305	RY(2)C16	358	0.002557100	0.964159833 Hartree
306	RY(3)C16	359	0.001603567	1.658074753 Hartree
307	RY(4)C16	360	0.001071816	1.572465040 Hartree
308	RY(5)C16	361	0.000498242	1.597426253 Hartree
309	RY(6)C16	362	0.000345408	3.743107512 Hartree
310	RY(7)C16	363	0.000256674	1.828811578 Hartree
311	RY(8)C16	364	0.000150344	1.621928898 Hartree
312	RY(9)C16	365	0.000126843	2.117199379 Hartree
313	RY(10)C16	366	0.000080101	2.362470175 Hartree
314	RY(11)C16	367	0.000047582	2.569975222 Hartree
315	RY(12)C16	368	0.000037000	2.576291221 Hartree
316	RY(13)C16	369	0.000030141	2.604440017 Hartree
317	RY(14)C16	370	0.000011297	2.054505390 Hartree
318	RY(15)C16	371	0.000007428	3.153772725 Hartree
319	RY(16)C16	372	0.000003616	3.567434836 Hartree
320	RY(17)C16	373	0.000002410	9.104674540 Hartree
321	RY(18)C16	374	0.000000903	4.774206027 Hartree
322	RY(19)C16	375	0.000000156	3.562357025 Hartree
323	RY(20)C16	376	0.000000557	2.967617927 Hartree
324	RY(21)C16	377	0.000001317	3.466420334 Hartree
325	RY(22)C16	378	0.000000268	4.847924050 Hartree
326	RY(1)C17	379	0.002278876	1.016318965 Hartree
327	RY(2)C17	380	0.001838143	0.901550352 Hartree
328	RY(3)C17	381	0.000911422	1.322647309 Hartree
329	RY(4)C17	382	0.000390393	1.322387957 Hartree
330	RY(5)C17	383	0.000370244	2.260757875 Hartree
331	RY(6)C17	384	0.000242664	1.847200755 Hartree
332	RY(7)C17	385	0.000203825	2.704713587 Hartree
333	RY(8)C17	386	0.000088298	2.271398564 Hartree
334	RY(9)C17	387	0.000067059	2.882868763 Hartree
335	RY(10)C17	388	0.000044011	1.884610725 Hartree
336	RY(11)C17	389	0.000033908	1.809297892 Hartree
337	RY(12)C17	390	0.000016394	2.155255418 Hartree
338	RY(13)C17	391	0.000010040	2.149373917 Hartree
339	RY(14)C17	392	0.000007694	2.010894880 Hartree
340	RY(15)C17	393	0.000005708	1.176258064 Hartree
341	RY(16)C17	394	0.000001887	2.381564100 Hartree
342	RY(17)C17	395	0.000001495	5.222679873 Hartree
343	RY(18)C17	396	0.000000097	3.335673801 Hartree
344	RY(19)C17	397	0.000000452	3.242603666 Hartree
345	RY(20)C17	398	0.000000396	15.594235457 Hartree
346	RY(21)C17	399	0.000001071	2.667644102 Hartree
347	RY(22)C17	400	0.000000252	3.742012571 Hartree
348	RY(1)C18	401	0.002385080	0.796222957 Hartree
349	RY(2)C18	402	0.000881516	0.960550461 Hartree
350	RY(3)C18	403	0.000160430	2.646363474 Hartree
351	RY(4)C18	404	0.000085809	1.199867261 Hartree
352	RY(5)C18	405	0.000055260	0.943279798 Hartree
353	RY(6)C18	406	0.000040540	1.780967559 Hartree
354	RY(7)C18	407	0.000027112	1.553789080 Hartree
355	RY(8)C18	408	0.000008478	1.200609281 Hartree
356	RY(9)C18	409	0.000003580	1.602221031 Hartree
357	RY(10)C18	410	0.000000172	3.476327209 Hartree
358	RY(11)C18	411	0.000000018	3.928977840 Hartree
359	RY(12)C18	412	0.000000857	2.477935063 Hartree
360	RY(13)C18	413	0.000001761	1.311957045 Hartree
361	RY(14)C18	414	0.000002606	2.516815595 Hartree
362	RY(15)C18	415	0.000002050	3.192195699 Hartree
363	RY(16)C18	416	0.000001631	1.643297937 Hartree
364	RY(17)C18	417	0.000000041	11.037295185 Hartree
365	RY(18)C18	418	0.000000003	3.660160146 Hartree
366	RY(19)C18	419	0.000000026	3.464905318 Hartree
367	RY(20)C18	420	0.000000349	2.946161562 Hartree
368	RY(21)C18	421	0.000000142	6.496920365 Hartree
369	RY(22)C18	422	0.000000585	4.361686625 Hartree
370	RY(1)H19	423	0.000567278	0.532256451 Hartree
371	RY(2)H19	424	0.000049989	2.283630714 Hartree
372	RY(3)H19	425	0.000021869	1.930291409 Hartree
373	RY(4)H19	426	0.000012820	2.369304174 Hartree
374	RY(5)H19	427	0.000006604	2.183097928 Hartree
375	RY(1)H20	428	0.000909054	0.597464498 Hartree
376	RY(2)H20	429	0.000073525	2.437875152 Hartree
377	RY(3)H20	430	0.000040850	2.064187485 Hartree
378	RY(4)H20	431	0.000018103	2.178055546 Hartree
379	RY(5)H20	432	0.000011934	2.044887757 Hartree
380	RY(1)H21	433	0.000883221	0.603030696 Hartree
381	RY(2)H21	434	0.000074950	2.379411406 Hartree
382	RY(3)H21	435	0.000037323	2.068641644 Hartree
383	RY(4)H21	436	0.000017667	2.256998598 Hartree
384	RY(5)H21	437	0.000014011	2.016149837 Hartree
385	RY(1)H22	438	0.001240469	0.688159726 Hartree
386	RY(2)H22	439	0.000094847	2.244551715 Hartree
387	RY(3)H22	440	0.000061884	2.270438075 Hartree
388	RY(4)H22	441	0.000031551	2.497160100 Hartree
389	RY(5)H22	442	0.000016087	2.112829693 Hartree
390	RY(1)H23	443	0.001538500	0.615072875 Hartree
391	RY(2)H23	444	0.000089557	2.347738877 Hartree
392	RY(3)H23	445	0.000079270	2.219148929 Hartree
393	RY(4)H23	446	0.000030322	2.418450730 Hartree
394	RY(5)H23	447	0.000017863	2.078663736 Hartree
395	RY(1)H24	448	0.000835455	0.710004366 Hartree
396	RY(2)H24	449	0.000082821	2.144000036 Hartree
397	RY(3)H24	450	0.000053100	2.468475719 Hartree
398	RY(4)H24	451	0.000026517	2.210449334 Hartree
399	RY(5)H24	452	0.000010667	2.208641089 Hartree
400	RY(1)H25	453	0.001527992	0.705180077 Hartree
401	RY(2)H25	454	0.000107749	2.175553912 Hartree
402	RY(3)H25	455	0.000050535	2.184411806 Hartree
403	RY(4)H25	456	0.000034936	2.519947319 Hartree
404	RY(5)H25	457	0.000016976	2.283703434 Hartree
405	RY(1)H26	458	0.000684561	0.663294727 Hartree
406	RY(2)H26	459	0.000074604	2.315472530 Hartree
407	RY(3)H26	460	0.000028979	2.078732036 Hartree
408	RY(4)H26	461	0.000020900	2.309795796 Hartree
409	RY(5)H26	462	0.000013477	2.152997112 Hartree
410	RY(1)H27	463	0.000818670	0.636977152 Hartree
411	RY(2)H27	464	0.000077254	2.229758786 Hartree
412	RY(3)H27	465	0.000045129	2.087002121 Hartree
413	RY(4)H27	466	0.000020436	2.380526809 Hartree
414	RY(5)H27	467	0.000014171	2.264340868 Hartree
415	RY(1)H28	468	0.001105340	0.845705718 Hartree
416	RY(2)H28	469	0.000110003	2.181821240 Hartree
417	RY(3)H28	470	0.000048414	2.097718006 Hartree
418	RY(4)H28	471	0.000019714	2.347540863 Hartree
419	RY(5)H28	472	0.000009871	2.102501473 Hartree
420		472		********** Hartree

Quote

THERE IS NOTHING NOBLE IN BEING SUPERIOR TO SOME OTHER MAN. TRUE NOBILITY IS BEING SUPERIOR TO YOUR FORMER SELF. -- HINDU PROVERB

WebMO Job Summary

359133: 8. 1,3-Dimethyl-2-propoxybenzene, Natural Bond Orbitals 6.0/NRT - Gaussian

Calculated Quantities

Overview

Rotational Constants

Partial Charges

Molecular Orbitals

Natural Population Analysis

Natural Atomic Orbitals

Natural Hybrid Orbitals

Natural Bond Orbitals

Quote