WebMO Job Summary

Overview

Quantity	Value
Route	#N M062X/6-311+G(2d,p) SP GFINPUT POP=(FULL,NBO6Read) Geom=Connectivit
Stoichiometry	C₈H₁₀O
Symmetry	CS
Basis	6-311+G(2d,p)
RM062X Energy	-386.050751143 Hartree
Dipole Moment	1.4694 Debye
Server	batch (127071)
CPU time	1035.8 sec

Rotational Constants

Constant	Frequency (GHz)	Frequency (cm^-1)
a	2.2956160	0.07657350740
b	1.7815257	0.05942530082
c	1.0156847	0.03387959480

Partial Charges

Atom	Symbol	Charge
1	C	-0.692210
2	C	1.103460
3	C	-0.671959
4	C	1.253732
5	C	-0.783838
6	C	-0.100060
7	C	-0.771131
8	H	0.120232
9	H	0.117929
10	H	0.123205
11	C	-0.584223
12	H	0.175344
13	H	0.175344
14	H	0.149324
15	O	-0.415498
16	H	0.283061
17	H	0.176387
18	H	0.164515
19	H	0.176387

Molecular Orbitals

Display Range		- / 303
Orbital	Symmetry	Occupancy	Energy	Actions
1	-	2	-19.65322 Hartree
2	-	2	-10.59578 Hartree
3	-	2	-10.54731 Hartree
4	-	2	-10.54623 Hartree
5	-	2	-10.54141 Hartree
6	-	2	-10.53645 Hartree
7	-	2	-10.53405 Hartree
8	-	2	-10.52990 Hartree
9	-	2	-10.52510 Hartree
10	-	2	-1.18644 Hartree
11	-	2	-0.96172 Hartree
12	-	2	-0.88781 Hartree
13	-	2	-0.85013 Hartree
14	-	2	-0.79070 Hartree
15	-	2	-0.77080 Hartree
16	-	2	-0.69215 Hartree
17	-	2	-0.66500 Hartree
18	-	2	-0.61641 Hartree
19	-	2	-0.56627 Hartree
20	-	2	-0.53600 Hartree
21	-	2	-0.51886 Hartree
22	-	2	-0.49287 Hartree
23	-	2	-0.48502 Hartree
24	-	2	-0.47759 Hartree
25	-	2	-0.47455 Hartree
26	-	2	-0.46205 Hartree
27	-	2	-0.45217 Hartree
28	-	2	-0.44064 Hartree
29	-	2	-0.40659 Hartree
30	-	2	-0.40317 Hartree
31	-	2	-0.39282 Hartree
32	-	2	-0.29319 Hartree
33	-	2	-0.27223 Hartree
34	-	0	0.00605 Hartree
35	-	0	0.02104 Hartree
36	-	0	0.02452 Hartree
37	-	0	0.02615 Hartree
38	-	0	0.03621 Hartree
39	-	0	0.04163 Hartree
40	-	0	0.04400 Hartree
41	-	0	0.04425 Hartree
42	-	0	0.05932 Hartree
43	-	0	0.06860 Hartree
44	-	0	0.06988 Hartree
45	-	0	0.07432 Hartree
46	-	0	0.08646 Hartree
47	-	0	0.09155 Hartree
48	-	0	0.10409 Hartree
49	-	0	0.11626 Hartree
50	-	0	0.11738 Hartree
51	-	0	0.12251 Hartree
52	-	0	0.12784 Hartree
53	-	0	0.14441 Hartree
54	-	0	0.15025 Hartree
55	-	0	0.15840 Hartree
56	-	0	0.16372 Hartree
57	-	0	0.16526 Hartree
58	-	0	0.17775 Hartree
59	-	0	0.18020 Hartree
60	-	0	0.18519 Hartree
61	-	0	0.19812 Hartree
62	-	0	0.20106 Hartree
63	-	0	0.21338 Hartree
64	-	0	0.21455 Hartree
65	-	0	0.21619 Hartree
66	-	0	0.21742 Hartree
67	-	0	0.23255 Hartree
68	-	0	0.23602 Hartree
69	-	0	0.23746 Hartree
70	-	0	0.24527 Hartree
71	-	0	0.25183 Hartree
72	-	0	0.25524 Hartree
73	-	0	0.26183 Hartree
74	-	0	0.26398 Hartree
75	-	0	0.26824 Hartree
76	-	0	0.27953 Hartree
77	-	0	0.29593 Hartree
78	-	0	0.30890 Hartree
79	-	0	0.31806 Hartree
80	-	0	0.31821 Hartree
81	-	0	0.33449 Hartree
82	-	0	0.34044 Hartree
83	-	0	0.34365 Hartree
84	-	0	0.36186 Hartree
85	-	0	0.38613 Hartree
86	-	0	0.40215 Hartree
87	-	0	0.40998 Hartree
88	-	0	0.41501 Hartree
89	-	0	0.43067 Hartree
90	-	0	0.44494 Hartree
91	-	0	0.45625 Hartree
92	-	0	0.50679 Hartree
93	-	0	0.51264 Hartree
94	-	0	0.54148 Hartree
95	-	0	0.54774 Hartree
96	-	0	0.55342 Hartree
97	-	0	0.55916 Hartree
98	-	0	0.57156 Hartree
99	-	0	0.57784 Hartree
100	-	0	0.58350 Hartree
101	-	0	0.58821 Hartree
102	-	0	0.60108 Hartree
103	-	0	0.60346 Hartree
104	-	0	0.60817 Hartree
105	-	0	0.62133 Hartree
106	-	0	0.62405 Hartree
107	-	0	0.64198 Hartree
108	-	0	0.65326 Hartree
109	-	0	0.65513 Hartree
110	-	0	0.66291 Hartree
111	-	0	0.67400 Hartree
112	-	0	0.68655 Hartree
113	-	0	0.70106 Hartree
114	-	0	0.70143 Hartree
115	-	0	0.71381 Hartree
116	-	0	0.72208 Hartree
117	-	0	0.73576 Hartree
118	-	0	0.75054 Hartree
119	-	0	0.75365 Hartree
120	-	0	0.77341 Hartree
121	-	0	0.78177 Hartree
122	-	0	0.78834 Hartree
123	-	0	0.79379 Hartree
124	-	0	0.79703 Hartree
125	-	0	0.83170 Hartree
126	-	0	0.85052 Hartree
127	-	0	0.85853 Hartree
128	-	0	0.87054 Hartree
129	-	0	0.88010 Hartree
130	-	0	0.88995 Hartree
131	-	0	0.90307 Hartree
132	-	0	0.90477 Hartree
133	-	0	0.92638 Hartree
134	-	0	0.93880 Hartree
135	-	0	0.96539 Hartree
136	-	0	0.97240 Hartree
137	-	0	1.00546 Hartree
138	-	0	1.02979 Hartree
139	-	0	1.04370 Hartree
140	-	0	1.05612 Hartree
141	-	0	1.10083 Hartree
142	-	0	1.10367 Hartree
143	-	0	1.13233 Hartree
144	-	0	1.15085 Hartree
145	-	0	1.15252 Hartree
146	-	0	1.16884 Hartree
147	-	0	1.19309 Hartree
148	-	0	1.20259 Hartree
149	-	0	1.20796 Hartree
150	-	0	1.22201 Hartree
151	-	0	1.23979 Hartree
152	-	0	1.24511 Hartree
153	-	0	1.26822 Hartree
154	-	0	1.28847 Hartree
155	-	0	1.31001 Hartree
156	-	0	1.31018 Hartree
157	-	0	1.34794 Hartree
158	-	0	1.36576 Hartree
159	-	0	1.37181 Hartree
160	-	0	1.37353 Hartree
161	-	0	1.39384 Hartree
162	-	0	1.41035 Hartree
163	-	0	1.41318 Hartree
164	-	0	1.43077 Hartree
165	-	0	1.44682 Hartree
166	-	0	1.47125 Hartree
167	-	0	1.50219 Hartree
168	-	0	1.50491 Hartree
169	-	0	1.52699 Hartree
170	-	0	1.56664 Hartree
171	-	0	1.63000 Hartree
172	-	0	1.63816 Hartree
173	-	0	1.65252 Hartree
174	-	0	1.67293 Hartree
175	-	0	1.68968 Hartree
176	-	0	1.72633 Hartree
177	-	0	1.73858 Hartree
178	-	0	1.77614 Hartree
179	-	0	1.82135 Hartree
180	-	0	1.82695 Hartree
181	-	0	1.83796 Hartree
182	-	0	1.83897 Hartree
183	-	0	1.92238 Hartree
184	-	0	1.93870 Hartree
185	-	0	1.95849 Hartree
186	-	0	1.98666 Hartree
187	-	0	2.01796 Hartree
188	-	0	2.05341 Hartree
189	-	0	2.05561 Hartree
190	-	0	2.11065 Hartree
191	-	0	2.15829 Hartree
192	-	0	2.20599 Hartree
193	-	0	2.21995 Hartree
194	-	0	2.23163 Hartree
195	-	0	2.24937 Hartree
196	-	0	2.25073 Hartree
197	-	0	2.28362 Hartree
198	-	0	2.33745 Hartree
199	-	0	2.36328 Hartree
200	-	0	2.36871 Hartree
201	-	0	2.38416 Hartree
202	-	0	2.39086 Hartree
203	-	0	2.41225 Hartree
204	-	0	2.44569 Hartree
205	-	0	2.47302 Hartree
206	-	0	2.48942 Hartree
207	-	0	2.54600 Hartree
208	-	0	2.62195 Hartree
209	-	0	2.66147 Hartree
210	-	0	2.66292 Hartree
211	-	0	2.68770 Hartree
212	-	0	2.73382 Hartree
213	-	0	2.74416 Hartree
214	-	0	2.74760 Hartree
215	-	0	2.76318 Hartree
216	-	0	2.78936 Hartree
217	-	0	2.79809 Hartree
218	-	0	2.80118 Hartree
219	-	0	2.84776 Hartree
220	-	0	2.91665 Hartree
221	-	0	2.93186 Hartree
222	-	0	2.94934 Hartree
223	-	0	2.97319 Hartree
224	-	0	2.98403 Hartree
225	-	0	3.00289 Hartree
226	-	0	3.04082 Hartree
227	-	0	3.09985 Hartree
228	-	0	3.13867 Hartree
229	-	0	3.14326 Hartree
230	-	0	3.17379 Hartree
231	-	0	3.20761 Hartree
232	-	0	3.21631 Hartree
233	-	0	3.21928 Hartree
234	-	0	3.25742 Hartree
235	-	0	3.28275 Hartree
236	-	0	3.28393 Hartree
237	-	0	3.30469 Hartree
238	-	0	3.31236 Hartree
239	-	0	3.32517 Hartree
240	-	0	3.33385 Hartree
241	-	0	3.37842 Hartree
242	-	0	3.38765 Hartree
243	-	0	3.40946 Hartree
244	-	0	3.41756 Hartree
245	-	0	3.44361 Hartree
246	-	0	3.48781 Hartree
247	-	0	3.50279 Hartree
248	-	0	3.50630 Hartree
249	-	0	3.52720 Hartree
250	-	0	3.53548 Hartree
251	-	0	3.53985 Hartree
252	-	0	3.59378 Hartree
253	-	0	3.61158 Hartree
254	-	0	3.61673 Hartree
255	-	0	3.63739 Hartree
256	-	0	3.64131 Hartree
257	-	0	3.65924 Hartree
258	-	0	3.66811 Hartree
259	-	0	3.68612 Hartree
260	-	0	3.71333 Hartree
261	-	0	3.77023 Hartree
262	-	0	3.77754 Hartree
263	-	0	3.79484 Hartree
264	-	0	3.81970 Hartree
265	-	0	3.82701 Hartree
266	-	0	3.85075 Hartree
267	-	0	3.88065 Hartree
268	-	0	3.92294 Hartree
269	-	0	3.94882 Hartree
270	-	0	3.99056 Hartree
271	-	0	4.06194 Hartree
272	-	0	4.07837 Hartree
273	-	0	4.09369 Hartree
274	-	0	4.11808 Hartree
275	-	0	4.21521 Hartree
276	-	0	4.21708 Hartree
277	-	0	4.24541 Hartree
278	-	0	4.25607 Hartree
279	-	0	4.36813 Hartree
280	-	0	4.38688 Hartree
281	-	0	4.49319 Hartree
282	-	0	4.63831 Hartree
283	-	0	4.67171 Hartree
284	-	0	4.85343 Hartree
285	-	0	4.91616 Hartree
286	-	0	5.15439 Hartree
287	-	0	5.31598 Hartree
288	-	0	5.71185 Hartree
289	-	0	6.08345 Hartree
290	-	0	6.86138 Hartree
291	-	0	6.96991 Hartree
292	-	0	7.05121 Hartree
293	-	0	7.30800 Hartree
294	-	0	7.35448 Hartree
295	-	0	23.73971 Hartree
296	-	0	24.02747 Hartree
297	-	0	24.04825 Hartree
298	-	0	24.17845 Hartree
299	-	0	24.21241 Hartree
300	-	0	24.23378 Hartree
301	-	0	24.26993 Hartree
302	-	0	24.37954 Hartree
303	-	0	50.14262 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom	Symbol	Charge
1	C	-0.61257
2	C	-0.10866
3	C	0.32465
4	C	-0.07895
5	C	-0.19755
6	C	-0.22999
7	C	-0.19962
8	H	0.20831
9	H	0.21107
10	H	0.20944
11	C	-0.59186
12	H	0.21990
13	H	0.21990
14	H	0.20603
15	O	-0.70624
16	H	0.48328
17	H	0.20935
18	H	0.22415
19	H	0.20935

Natural Atomic Orbitals

Display Range		- / 303
Orbital	Description	Occupancy	Energy	Actions
1	C1 Cor(1s)	1.999993015	-10.546229434 Hartree
2	C1 Val(2s)	1.077904472	-0.193891200 Hartree
3	C1 Ryd(3s)	0.000342716	1.546520913 Hartree
4	C1 Ryd(4s)	0.000017416	3.933640522 Hartree
5	C1 Ryd(5s)	0.000004029	17.472040131 Hartree
6	C1 Val(2p)	1.123942177	-0.102621798 Hartree
7	C1 Ryd(3p)	0.002340570	0.637869966 Hartree
8	C1 Ryd(4p)	0.000127298	2.106131903 Hartree
9	C1 Ryd(5p)	0.000047401	2.813914663 Hartree
10	C1 Val(2p)	1.193704428	-0.118981734 Hartree
11	C1 Ryd(3p)	0.003009492	0.622034140 Hartree
12	C1 Ryd(4p)	0.000051898	1.542794376 Hartree
13	C1 Ryd(5p)	0.000016035	2.770144505 Hartree
14	C1 Val(2p)	1.204707133	-0.121722114 Hartree
15	C1 Ryd(3p)	0.000620865	0.576719523 Hartree
16	C1 Ryd(4p)	0.000085764	1.112656234 Hartree
17	C1 Ryd(5p)	0.000009391	2.407398954 Hartree
18	C1 Ryd(3d)	0.001361441	1.724357261 Hartree
19	C1 Ryd(4d)	0.000084687	3.626968525 Hartree
20	C1 Ryd(3d)	0.000277774	1.496194183 Hartree
21	C1 Ryd(4d)	0.000033413	2.923361922 Hartree
22	C1 Ryd(3d)	0.001894186	1.550006547 Hartree
23	C1 Ryd(4d)	0.000042155	3.513529293 Hartree
24	C1 Ryd(3d)	0.000526600	1.735861791 Hartree
25	C1 Ryd(4d)	0.000086848	3.369583552 Hartree
26	C1 Ryd(3d)	0.001297218	1.711590694 Hartree
27	C1 Ryd(4d)	0.000038133	3.403766447 Hartree
28	C2 Cor(1s)	1.999993289	-10.547200557 Hartree
29	C2 Val(2s)	0.879240462	-0.060493931 Hartree
30	C2 Ryd(3s)	0.000545798	2.130121640 Hartree
31	C2 Ryd(4s)	0.000107437	5.186792452 Hartree
32	C2 Ryd(5s)	0.000011474	13.517101720 Hartree
33	C2 Val(2p)	1.063276801	-0.034854060 Hartree
34	C2 Ryd(3p)	0.004135039	1.196826960 Hartree
35	C2 Ryd(4p)	0.000209501	2.506997348 Hartree
36	C2 Ryd(5p)	0.000095554	3.073673220 Hartree
37	C2 Val(2p)	1.096841311	-0.035453354 Hartree
38	C2 Ryd(3p)	0.002898293	1.116516241 Hartree
39	C2 Ryd(4p)	0.000194402	2.366360574 Hartree
40	C2 Ryd(5p)	0.000121417	2.770787577 Hartree
41	C2 Val(2p)	1.054056338	-0.109199971 Hartree
42	C2 Ryd(3p)	0.001628713	0.689494160 Hartree
43	C2 Ryd(4p)	0.000139346	1.654535240 Hartree
44	C2 Ryd(5p)	0.000075890	1.507949694 Hartree
45	C2 Ryd(3d)	0.000939488	2.607776358 Hartree
46	C2 Ryd(4d)	0.000685965	3.698038801 Hartree
47	C2 Ryd(3d)	0.000461708	1.260299034 Hartree
48	C2 Ryd(4d)	0.000159656	3.489010599 Hartree
49	C2 Ryd(3d)	0.000333947	1.265742897 Hartree
50	C2 Ryd(4d)	0.000155135	3.494216048 Hartree
51	C2 Ryd(4d)	0.000526598	2.454080440 Hartree
52	C2 Ryd(3d)	0.000614790	3.761716411 Hartree
53	C2 Ryd(3d)	0.001182436	2.229850044 Hartree
54	C2 Ryd(4d)	0.000032559	3.693151084 Hartree
55	C3 Cor(1s)	1.999991990	-10.595715388 Hartree
56	C3 Val(2s)	0.813339845	-0.045751823 Hartree
57	C3 Ryd(3s)	0.000785121	2.068785005 Hartree
58	C3 Ryd(4s)	0.000128658	12.396500708 Hartree
59	C3 Ryd(5s)	0.000006001	3.027537857 Hartree
60	C3 Val(2p)	1.104254554	-0.037585377 Hartree
61	C3 Ryd(3p)	0.003227705	1.178889951 Hartree
62	C3 Ryd(5p)	0.000241608	2.956108407 Hartree
63	C3 Ryd(4p)	0.000402946	2.822912342 Hartree
64	C3 Val(2p)	0.759762365	0.009300272 Hartree
65	C3 Ryd(3p)	0.007142871	1.191381477 Hartree
66	C3 Ryd(4p)	0.000225221	1.837287765 Hartree
67	C3 Ryd(5p)	0.000133275	2.744346508 Hartree
68	C3 Val(2p)	0.978249071	-0.111005791 Hartree
69	C3 Ryd(3p)	0.000376306	0.769020865 Hartree
70	C3 Ryd(4p)	0.000286135	1.015607625 Hartree
71	C3 Ryd(5p)	0.000033747	2.023219495 Hartree
72	C3 Ryd(3d)	0.000995456	2.589528137 Hartree
73	C3 Ryd(4d)	0.000517320	3.789459941 Hartree
74	C3 Ryd(3d)	0.000563407	1.739588258 Hartree
75	C3 Ryd(4d)	0.000088427	2.905623515 Hartree
76	C3 Ryd(3d)	0.001795748	1.817680913 Hartree
77	C3 Ryd(4d)	0.000064313	2.863665084 Hartree
78	C3 Ryd(4d)	0.000747923	2.438189599 Hartree
79	C3 Ryd(3d)	0.000910300	3.851850978 Hartree
80	C3 Ryd(3d)	0.000916999	2.433451977 Hartree
81	C3 Ryd(4d)	0.000158367	3.435329224 Hartree
82	C4 Cor(1s)	1.999993485	-10.541338925 Hartree
83	C4 Val(2s)	0.881289236	-0.053667757 Hartree
84	C4 Ryd(3s)	0.000439872	2.258138956 Hartree
85	C4 Ryd(4s)	0.000125139	7.632109376 Hartree
86	C4 Ryd(5s)	0.000011926	8.814906788 Hartree
87	C4 Val(2p)	1.066249666	-0.028584359 Hartree
88	C4 Ryd(3p)	0.004346512	1.149200819 Hartree
89	C4 Ryd(4p)	0.000244359	2.399271042 Hartree
90	C4 Ryd(5p)	0.000112650	3.193529445 Hartree
91	C4 Val(2p)	1.091756876	-0.023806405 Hartree
92	C4 Ryd(3p)	0.003800072	1.131931733 Hartree
93	C4 Ryd(4p)	0.000162808	2.248127589 Hartree
94	C4 Ryd(5p)	0.000119365	2.857165071 Hartree
95	C4 Val(2p)	1.023486580	-0.099385208 Hartree
96	C4 Ryd(3p)	0.001611460	0.682289345 Hartree
97	C4 Ryd(4p)	0.000161538	1.564828719 Hartree
98	C4 Ryd(5p)	0.000093811	1.620285433 Hartree
99	C4 Ryd(3d)	0.000854657	2.560568967 Hartree
100	C4 Ryd(4d)	0.000702428	3.732142338 Hartree
101	C4 Ryd(3d)	0.000518457	1.311451680 Hartree
102	C4 Ryd(4d)	0.000150103	3.446544206 Hartree
103	C4 Ryd(3d)	0.000342474	1.323734006 Hartree
104	C4 Ryd(4d)	0.000137117	3.459252901 Hartree
105	C4 Ryd(4d)	0.000491914	2.444548598 Hartree
106	C4 Ryd(3d)	0.000603550	3.812785961 Hartree
107	C4 Ryd(3d)	0.001117812	2.258454826 Hartree
108	C4 Ryd(4d)	0.000027392	3.680623185 Hartree
109	C5 Cor(1s)	1.999993424	-10.533981273 Hartree
110	C5 Val(2s)	0.935058532	-0.074149488 Hartree
111	C5 Ryd(3s)	0.000905774	1.603898590 Hartree
112	C5 Ryd(4s)	0.000028812	8.402339203 Hartree
113	C5 Ryd(5s)	0.000009888	16.160705344 Hartree
114	C5 Val(2p)	1.152819980	-0.042093854 Hartree
115	C5 Ryd(3p)	0.005750380	1.328514362 Hartree
116	C5 Ryd(4p)	0.000203046	0.538331712 Hartree
117	C5 Ryd(5p)	0.000066271	3.843206494 Hartree
118	C5 Val(2p)	1.084306389	-0.018181703 Hartree
119	C5 Ryd(3p)	0.003667232	0.932043827 Hartree
120	C5 Ryd(4p)	0.000370481	0.936038174 Hartree
121	C5 Ryd(5p)	0.000114303	3.554391413 Hartree
122	C5 Val(2p)	1.007452301	-0.103981462 Hartree
123	C5 Ryd(3p)	0.001046918	0.621041723 Hartree
124	C5 Ryd(4p)	0.000415449	0.277936082 Hartree
125	C5 Ryd(5p)	0.000020740	2.870523917 Hartree
126	C5 Ryd(3d)	0.000901490	2.316099456 Hartree
127	C5 Ryd(4d)	0.000505394	3.927023925 Hartree
128	C5 Ryd(3d)	0.000355671	1.285724097 Hartree
129	C5 Ryd(4d)	0.000061850	3.187546930 Hartree
130	C5 Ryd(3d)	0.000487384	1.295498671 Hartree
131	C5 Ryd(4d)	0.000080050	3.267249933 Hartree
132	C5 Ryd(3d)	0.000979388	2.278579159 Hartree
133	C5 Ryd(4d)	0.000409774	3.818031667 Hartree
134	C5 Ryd(3d)	0.001514483	1.872092149 Hartree
135	C5 Ryd(4d)	0.000024936	3.542454400 Hartree
136	C6 Cor(1s)	1.999993506	-10.529919034 Hartree
137	C6 Val(2s)	0.940898720	-0.079438413 Hartree
138	C6 Ryd(3s)	0.000953296	2.738340789 Hartree
139	C6 Ryd(4s)	0.000015032	17.637898087 Hartree
140	C6 Ryd(5s)	0.000004489	2.140332407 Hartree
141	C6 Val(2p)	1.062517833	-0.010856886 Hartree
142	C6 Ryd(3p)	0.003908402	0.847237894 Hartree
143	C6 Ryd(5p)	0.000112443	0.754603446 Hartree
144	C6 Ryd(4p)	0.000145274	3.394989565 Hartree
145	C6 Val(2p)	1.177487660	-0.048460252 Hartree
146	C6 Ryd(3p)	0.006363952	1.361668111 Hartree
147	C6 Ryd(4p)	0.000231939	0.474289807 Hartree
148	C6 Ryd(5p)	0.000034635	3.724735189 Hartree
149	C6 Val(2p)	1.030884914	-0.104010037 Hartree
150	C6 Ryd(3p)	0.001414862	0.628860442 Hartree
151	C6 Ryd(4p)	0.000294889	0.286604607 Hartree
152	C6 Ryd(5p)	0.000028955	2.762104503 Hartree
153	C6 Ryd(3d)	0.000868214	2.263291032 Hartree
154	C6 Ryd(4d)	0.000289270	3.816628254 Hartree
155	C6 Ryd(3d)	0.000253306	1.342814296 Hartree
156	C6 Ryd(4d)	0.000129158	3.229410857 Hartree
157	C6 Ryd(3d)	0.000378102	1.373144810 Hartree
158	C6 Ryd(4d)	0.000021410	3.127714056 Hartree
159	C6 Ryd(3d)	0.000680464	2.410514106 Hartree
160	C6 Ryd(4d)	0.000625252	3.839565328 Hartree
161	C6 Ryd(3d)	0.001427808	1.926357887 Hartree
162	C6 Ryd(4d)	0.000024525	3.495299447 Hartree
163	C7 Cor(1s)	1.999993435	-10.536388687 Hartree
164	C7 Val(2s)	0.933517022	-0.075944677 Hartree
165	C7 Ryd(3s)	0.000940046	1.507397764 Hartree
166	C7 Ryd(4s)	0.000024697	10.990006297 Hartree
167	C7 Ryd(5s)	0.000012048	10.447423387 Hartree
168	C7 Val(2p)	1.153091148	-0.044397089 Hartree
169	C7 Ryd(3p)	0.005737535	1.314012816 Hartree
170	C7 Ryd(4p)	0.000202834	0.536455832 Hartree
171	C7 Ryd(5p)	0.000070805	3.883898349 Hartree
172	C7 Val(2p)	1.081831960	-0.021069345 Hartree
173	C7 Ryd(3p)	0.003706873	0.940022346 Hartree
174	C7 Ryd(4p)	0.000358917	0.835625805 Hartree
175	C7 Ryd(5p)	0.000104227	3.543415165 Hartree
176	C7 Val(2p)	1.013139689	-0.106984062 Hartree
177	C7 Ryd(3p)	0.001159635	0.613274441 Hartree
178	C7 Ryd(4p)	0.000414003	0.280493646 Hartree
179	C7 Ryd(5p)	0.000019924	2.868880680 Hartree
180	C7 Ryd(3d)	0.000887077	2.319905733 Hartree
181	C7 Ryd(4d)	0.000510812	3.935305264 Hartree
182	C7 Ryd(3d)	0.000336799	1.289533502 Hartree
183	C7 Ryd(4d)	0.000064517	3.182392884 Hartree
184	C7 Ryd(3d)	0.000494365	1.297939334 Hartree
185	C7 Ryd(4d)	0.000083925	3.256549383 Hartree
186	C7 Ryd(3d)	0.000974485	2.264881821 Hartree
187	C7 Ryd(4d)	0.000390336	3.807979210 Hartree
188	C7 Ryd(3d)	0.001525590	1.874176344 Hartree
189	C7 Ryd(4d)	0.000025897	3.536921086 Hartree
190	H8 Val(1s)	0.790088440	0.079512494 Hartree
191	H8 Ryd(2s)	0.000616685	0.919217102 Hartree
192	H8 Ryd(3s)	0.000142472	2.424959631 Hartree
193	H8 Ryd(2p)	0.000525811	2.524849527 Hartree
194	H8 Ryd(2p)	0.000219198	2.415929035 Hartree
195	H8 Ryd(2p)	0.000096595	1.861170643 Hartree
196	H9 Val(1s)	0.786906056	0.086082425 Hartree
197	H9 Ryd(2s)	0.001032479	0.852284731 Hartree
198	H9 Ryd(3s)	0.000105170	2.401481141 Hartree
199	H9 Ryd(2p)	0.000061552	2.306441853 Hartree
200	H9 Ryd(2p)	0.000730980	2.595144305 Hartree
201	H9 Ryd(2p)	0.000092456	1.852143661 Hartree
202	H10 Val(1s)	0.788956237	0.083471154 Hartree
203	H10 Ryd(2s)	0.000610612	0.917534457 Hartree
204	H10 Ryd(3s)	0.000147703	2.430471060 Hartree
205	H10 Ryd(2p)	0.000550406	2.535730757 Hartree
206	H10 Ryd(2p)	0.000203865	2.413287820 Hartree
207	H10 Ryd(2p)	0.000091811	1.864290861 Hartree
208	C11 Cor(1s)	1.999992966	-10.525055637 Hartree
209	C11 Val(2s)	1.076018791	-0.170205389 Hartree
210	C11 Ryd(3s)	0.000513565	1.293327601 Hartree
211	C11 Ryd(4s)	0.000017009	1.902352822 Hartree
212	C11 Ryd(5s)	0.000005984	20.165239844 Hartree
213	C11 Val(2p)	1.107576667	-0.078052517 Hartree
214	C11 Ryd(3p)	0.001877204	0.681618478 Hartree
215	C11 Ryd(4p)	0.000112029	1.746075345 Hartree
216	C11 Ryd(5p)	0.000053634	2.905486748 Hartree
217	C11 Val(2p)	1.178891998	-0.091106939 Hartree
218	C11 Ryd(3p)	0.002430813	0.653772113 Hartree
219	C11 Ryd(4p)	0.000056554	1.353835260 Hartree
220	C11 Ryd(5p)	0.000024628	2.974222105 Hartree
221	C11 Val(2p)	1.217934710	-0.103651582 Hartree
222	C11 Ryd(3p)	0.000697330	0.603300677 Hartree
223	C11 Ryd(4p)	0.000118074	0.864295632 Hartree
224	C11 Ryd(5p)	0.000015873	2.650420672 Hartree
225	C11 Ryd(3d)	0.001545489	1.784352706 Hartree
226	C11 Ryd(4d)	0.000058920	3.629040072 Hartree
227	C11 Ryd(3d)	0.000205877	1.523187837 Hartree
228	C11 Ryd(4d)	0.000011544	2.937948357 Hartree
229	C11 Ryd(3d)	0.001691705	1.581105873 Hartree
230	C11 Ryd(4d)	0.000044858	3.565011684 Hartree
231	C11 Ryd(3d)	0.000356970	1.747507765 Hartree
232	C11 Ryd(4d)	0.000118037	3.404021968 Hartree
233	C11 Ryd(3d)	0.001447695	1.739951811 Hartree
234	C11 Ryd(4d)	0.000038077	3.403996072 Hartree
235	H12 Val(1s)	0.778618581	0.078206045 Hartree
236	H12 Ryd(2s)	0.000851781	0.536473792 Hartree
237	H12 Ryd(3s)	0.000074167	2.397824028 Hartree
238	H12 Ryd(2p)	0.000058039	2.021419968 Hartree
239	H12 Ryd(2p)	0.000189151	2.209853680 Hartree
240	H12 Ryd(2p)	0.000304032	2.371685294 Hartree
241	H13 Val(1s)	0.778618581	0.078206045 Hartree
242	H13 Ryd(2s)	0.000851781	0.536473792 Hartree
243	H13 Ryd(3s)	0.000074167	2.397824028 Hartree
244	H13 Ryd(2p)	0.000058039	2.021419968 Hartree
245	H13 Ryd(2p)	0.000189151	2.209853680 Hartree
246	H13 Ryd(2p)	0.000304032	2.371685294 Hartree
247	H14 Val(1s)	0.792730710	0.071906592 Hartree
248	H14 Ryd(2s)	0.000664987	0.591882735 Hartree
249	H14 Ryd(3s)	0.000060160	2.303470300 Hartree
250	H14 Ryd(2p)	0.000321503	2.393258112 Hartree
251	H14 Ryd(2p)	0.000177252	2.218341144 Hartree
252	H14 Ryd(2p)	0.000018880	1.922925986 Hartree
253	O15 Cor(1s)	1.999996769	-19.653090225 Hartree
254	O15 Val(2s)	1.648472556	-0.820856336 Hartree
255	O15 Ryd(3s)	0.000165835	2.390736635 Hartree
256	O15 Ryd(4s)	0.000013676	2.678691986 Hartree
257	O15 Ryd(5s)	0.000001482	47.681624689 Hartree
258	O15 Val(2p)	1.651395792	-0.366494160 Hartree
259	O15 Ryd(3p)	0.001450282	0.814591788 Hartree
260	O15 Ryd(4p)	0.000149830	1.171443256 Hartree
261	O15 Ryd(5p)	0.000033847	5.520634753 Hartree
262	O15 Val(2p)	1.496821951	-0.347277090 Hartree
263	O15 Ryd(3p)	0.001540554	0.584624756 Hartree
264	O15 Ryd(4p)	0.000338062	1.042563948 Hartree
265	O15 Ryd(5p)	0.000011708	5.621772398 Hartree
266	O15 Val(2p)	1.887625843	-0.396867888 Hartree
267	O15 Ryd(3p)	0.004109682	0.486568668 Hartree
268	O15 Ryd(4p)	0.000029098	1.066223347 Hartree
269	O15 Ryd(5p)	0.000023004	5.049626060 Hartree
270	O15 Ryd(3d)	0.002461360	2.178207378 Hartree
271	O15 Ryd(4d)	0.000059195	7.120735412 Hartree
272	O15 Ryd(3d)	0.002189571	1.650518794 Hartree
273	O15 Ryd(4d)	0.000006840	6.790797806 Hartree
274	O15 Ryd(3d)	0.001445226	1.857098028 Hartree
275	O15 Ryd(4d)	0.000015303	6.930393422 Hartree
276	O15 Ryd(3d)	0.005288971	2.264005746 Hartree
277	O15 Ryd(4d)	0.000020308	7.084666661 Hartree
278	O15 Ryd(3d)	0.002568854	1.997001024 Hartree
279	O15 Ryd(4d)	0.000004476	6.947692982 Hartree
280	H16 Val(1s)	0.514191433	0.156243570 Hartree
281	H16 Ryd(2s)	0.000511463	2.064132470 Hartree
282	H16 Ryd(3s)	0.000099513	1.388932427 Hartree
283	H16 Ryd(2p)	0.000490839	2.768636475 Hartree
284	H16 Ryd(2p)	0.000368129	2.294190050 Hartree
285	H16 Ryd(2p)	0.001056812	1.821437824 Hartree
286	H17 Val(1s)	0.788887864	0.047045315 Hartree
287	H17 Ryd(2s)	0.001173049	0.522314444 Hartree
288	H17 Ryd(3s)	0.000050674	2.383403645 Hartree
289	H17 Ryd(2p)	0.000053545	2.011764971 Hartree
290	H17 Ryd(2p)	0.000143422	2.172218204 Hartree
291	H17 Ryd(2p)	0.000344419	2.353490307 Hartree
292	H18 Val(1s)	0.774704176	0.064667648 Hartree
293	H18 Ryd(2s)	0.000592715	0.610797242 Hartree
294	H18 Ryd(3s)	0.000068349	2.255260705 Hartree
295	H18 Ryd(2p)	0.000279039	2.353723852 Hartree
296	H18 Ryd(2p)	0.000179567	2.231640608 Hartree
297	H18 Ryd(2p)	0.000027333	1.907895095 Hartree
298	H19 Val(1s)	0.788887864	0.047045315 Hartree
299	H19 Ryd(2s)	0.001173049	0.522314444 Hartree
300	H19 Ryd(3s)	0.000050674	2.383403645 Hartree
301	H19 Ryd(2p)	0.000053545	2.011764971 Hartree
302	H19 Ryd(2p)	0.000143422	2.172218204 Hartree
303	H19 Ryd(2p)	0.000344419	2.353490307 Hartree

Natural Hybrid Orbitals

Display Range		- / 303
Orbital	Description	Occupancy	Energy	Actions
1	CR(1)C1 s(100.00%)	1.999993015	-10.546229434 Hartree
2	CR(1)C2 s(100.00%)	1.999993289	-10.547200557 Hartree
3	CR(1)C3 s(100.00%)	1.999991990	-10.595715388 Hartree
4	CR(1)C4 s(100.00%)	1.999993485	-10.541338925 Hartree
5	CR(1)C5 s(100.00%)	1.999993424	-10.533981273 Hartree
6	CR(1)C6 s(100.00%)	1.999993506	-10.529919034 Hartree
7	CR(1)C7 s(100.00%)	1.999993435	-10.536388687 Hartree
8	CR(1)C11 s(100.00%)	1.999992966	-10.525055637 Hartree
9	CR(1)O15 s(100.00%)	1.999996769	-19.653090225 Hartree
10	LP(1)O15 s(43.59%)p1.29(56.29%)d0.00(0.12%)	1.980913096	-0.616398866 Hartree
11	LP(2)O15 s(0.00%)p1.00(99.82%)d0.00(0.18%)	1.891636569	-0.399783196 Hartree
12	BD(1)C1(C2) 1s(30.60%)p2.26(69.29%)d0.00(0.11%)	0.980410340	-0.069424575 Hartree
13	BD(1)C2(C1) 2s(30.95%)p2.23(69.00%)d0.00(0.05%)	1.017153959	-0.080070314 Hartree
14	BD(1)C1(H17) 1s(22.89%)p3.36(77.01%)d0.00(0.11%)	1.203503722	-0.152153760 Hartree
15	BD(1)H17(C1) 17s(99.95%)p0.00(0.05%)	0.789319368	0.048022701 Hartree
16	BD(1)C1(H18) 1s(23.59%)p3.24(76.33%)d0.00(0.08%)	1.219628086	-0.148314777 Hartree
17	BD(1)H18(C1) 18s(99.95%)p0.00(0.05%)	0.775086380	0.065266549 Hartree
18	BD(1)C1(H19) 1s(22.89%)p3.36(77.01%)d0.00(0.11%)	1.203503722	-0.152153760 Hartree
19	BD(1)H19(C1) 19s(99.95%)p0.00(0.05%)	0.789319368	0.048022701 Hartree
20	BD(1)C2(C3) 2s(33.20%)p2.01(66.72%)d0.00(0.08%)	1.001376679	-0.019051253 Hartree
21	BD(1)C3(C2) 3s(38.23%)p1.61(61.72%)d0.00(0.05%)	1.005046502	-0.027783868 Hartree
22	BD(2)C2(C3) 2s(0.00%)p1.00(99.95%)d0.00(0.05%)	1.054521586	-0.110479160 Hartree
23	BD(2)C3(C2) 3s(0.00%)p1.00(99.94%)d0.00(0.06%)	0.978596259	-0.111658843 Hartree
24	BD(1)C2(C7) 2s(35.70%)p1.80(64.23%)d0.00(0.07%)	1.023664666	-0.021326553 Hartree
25	BD(1)C7(C2) 7s(35.92%)p1.78(63.95%)d0.00(0.12%)	0.968357593	0.006542055 Hartree
26	BD(1)C3(C4) 3s(37.43%)p1.67(62.53%)d0.00(0.05%)	1.008201165	-0.026016857 Hartree
27	BD(1)C4(C3) 4s(32.91%)p2.04(67.01%)d0.00(0.08%)	0.992119850	-0.011114365 Hartree
28	BD(1)C3(O15) 3s(24.09%)p3.15(75.78%)d0.01(0.13%)	0.668388501	-0.006053561 Hartree
29	BD(1)O15(C3) 15s(34.85%)p1.86(64.93%)d0.01(0.22%)	1.346790805	-0.460868258 Hartree
30	BD(1)C4(C5) 4s(35.43%)p1.82(64.50%)d0.00(0.07%)	1.019177295	-0.013209161 Hartree
31	BD(1)C5(C4) 5s(36.17%)p1.76(63.70%)d0.00(0.13%)	0.973279041	0.009430120 Hartree
32	BD(2)C4(C5) 4s(0.00%)p1.00(99.95%)d0.00(0.05%)	1.024064295	-0.100042830 Hartree
33	BD(2)C5(C4) 5s(0.00%)p1.00(99.94%)d0.00(0.06%)	1.008358702	-0.105168615 Hartree
34	BD(1)C4(C11) 4s(31.50%)p2.17(68.45%)d0.00(0.04%)	1.030869670	-0.071517000 Hartree
35	BD(1)C11(C4) 11s(30.22%)p2.30(69.65%)d0.00(0.12%)	0.964920637	-0.045724987 Hartree
36	BD(1)C5(C6) 5s(36.07%)p1.77(63.81%)d0.00(0.12%)	0.999526698	-0.006256124 Hartree
37	BD(1)C6(C5) 6s(35.89%)p1.78(63.99%)d0.00(0.11%)	0.991728182	-0.001997442 Hartree
38	BD(1)C5(H10) 5s(27.58%)p2.63(72.39%)d0.00(0.04%)	1.206011555	-0.120141599 Hartree
39	BD(1)H10(C5) 10s(99.94%)p0.00(0.06%)	0.789498411	0.084848603 Hartree
40	BD(1)C6(C7) 6s(35.94%)p1.78(63.95%)d0.00(0.12%)	0.989135577	-0.000590759 Hartree
41	BD(1)C7(C6) 7s(36.27%)p1.75(63.61%)d0.00(0.12%)	1.001837310	-0.007173691 Hartree
42	BD(2)C6(C7) 6s(0.00%)p1.00(99.96%)d0.00(0.04%)	1.031820835	-0.105483585 Hartree
43	BD(2)C7(C6) 7s(0.00%)p1.00(99.96%)d0.00(0.04%)	1.014040705	-0.108234805 Hartree
44	BD(1)C6(H9) 6s(28.01%)p2.57(71.96%)d0.00(0.03%)	1.207284938	-0.117688303 Hartree
45	BD(1)H9(C6) 9s(99.93%)p0.00(0.07%)	0.787481748	0.087039802 Hartree
46	BD(1)C7(H8) 7s(27.63%)p2.62(72.33%)d0.00(0.04%)	1.204889373	-0.123048305 Hartree
47	BD(1)H8(C7) 8s(99.94%)p0.00(0.06%)	0.790622195	0.080890186 Hartree
48	BD(1)C11(H12) 11s(23.09%)p3.33(76.81%)d0.00(0.10%)	1.210037585	-0.128576994 Hartree
49	BD(1)H12(C11) 12s(99.95%)p0.00(0.05%)	0.779056296	0.079043630 Hartree
50	BD(1)C11(H13) 11s(23.09%)p3.33(76.81%)d0.00(0.10%)	1.210037585	-0.128576994 Hartree
51	BD(1)H13(C11) 13s(99.95%)p0.00(0.05%)	0.779056296	0.079043630 Hartree
52	BD(1)C11(H14) 11s(23.57%)p3.24(76.34%)d0.00(0.09%)	1.201538868	-0.124965071 Hartree
53	BD(1)H14(C11) 14s(99.95%)p0.00(0.05%)	0.793159357	0.072445379 Hartree
54	BD(1)O15(H16) 15s(21.49%)p3.64(78.19%)d0.01(0.32%)	1.480746571	-0.458544358 Hartree
55	BD(1)H16(O15) 16s(99.93%)p0.00(0.07%)	0.514561654	0.163940942 Hartree
56	RY(1)C1 s(0.04%)p99.99(97.53%)d58.67(2.43%)	0.003300147	0.783948513 Hartree
57	RY(2)C1 s(0.00%)p1.00(69.89%)d0.43(30.11%)	0.000956744	0.873754269 Hartree
58	RY(3)C1 s(23.64%)p2.49(58.94%)d0.74(17.42%)	0.000524795	1.191830963 Hartree
59	RY(4)C1 s(3.71%)p7.41(27.47%)d18.55(68.82%)	0.000288756	2.078568522 Hartree
60	RY(5)C1 s(5.68%)p4.70(26.68%)d11.92(67.64%)	0.000145831	2.173458346 Hartree
61	RY(6)C1 s(0.00%)p1.00(25.43%)d2.93(74.57%)	0.000094639	1.114057773 Hartree
62	RY(7)C1 s(16.36%)p0.34(5.52%)d4.78(78.12%)	0.000086759	1.555866171 Hartree
63	RY(8)C1 s(0.00%)p1.00(10.46%)d8.56(89.54%)	0.000062768	1.132724796 Hartree
64	RY(9)C1 s(49.44%)p0.56(27.54%)d0.47(23.02%)	0.000031731	2.260344928 Hartree
65	RY(10)C1 s(0.00%)p1.00(92.16%)d0.09(7.84%)	0.000012715	0.444055407 Hartree
66	RY(11)C1 s(39.13%)p0.97(37.83%)d0.59(23.04%)	0.000007652	1.553658279 Hartree
67	RY(12)C1 s(25.89%)p1.05(27.26%)d1.81(46.85%)	0.000005952	8.160579782 Hartree
68	RY(13)C1 s(34.71%)p0.69(23.96%)d1.19(41.33%)	0.000004197	5.306963289 Hartree
69	RY(14)C1 s(8.92%)p5.92(52.83%)d4.28(38.24%)	0.000001710	2.397842781 Hartree
70	RY(15)C1 s(27.44%)p2.24(61.60%)d0.40(10.96%)	0.000000705	2.063690837 Hartree
71	RY(16)C1 s(26.46%)p1.00(26.58%)d1.77(46.96%)	0.000001505	4.235000301 Hartree
72	RY(17)C1 s(0.00%)p1.00(54.78%)d0.83(45.22%)	0.000000000	3.119794343 Hartree
73	RY(18)C1 s(0.00%)p1.00(19.14%)d4.22(80.86%)	0.000000000	3.092827856 Hartree
74	RY(19)C1 s(19.91%)p3.38(67.25%)d0.64(12.83%)	0.000000203	4.745843778 Hartree
75	RY(20)C1 s(0.00%)p1.00(28.30%)d2.53(71.70%)	0.000000062	3.798433235 Hartree
76	RY(21)C1 s(16.49%)p2.78(45.88%)d2.28(37.63%)	0.000000735	7.163809405 Hartree
77	RY(22)C1 s(2.21%)p6.02(13.32%)d38.16(84.47%)	0.000000065	3.334862495 Hartree
78	RY(1)C2 s(0.57%)p99.99(81.79%)d30.72(17.63%)	0.004923290	1.428736326 Hartree
79	RY(2)C2 s(0.60%)p99.99(85.32%)d23.53(14.08%)	0.002584145	1.320435712 Hartree
80	RY(3)C2 s(0.00%)p1.00(93.58%)d0.07(6.42%)	0.001645247	0.759000190 Hartree
81	RY(4)C2 s(36.32%)p0.43(15.73%)d1.32(47.94%)	0.000887225	2.398972190 Hartree
82	RY(5)C2 s(0.00%)p1.00(1.85%)d53.01(98.15%)	0.000578299	2.056017565 Hartree
83	RY(6)C2 s(3.52%)p11.28(39.65%)d16.17(56.83%)	0.000419145	3.447696042 Hartree
84	RY(7)C2 s(45.92%)p0.65(29.63%)d0.53(24.45%)	0.000263414	4.173614966 Hartree
85	RY(8)C2 s(0.00%)p1.00(23.12%)d3.32(76.88%)	0.000195986	1.463293292 Hartree
86	RY(9)C2 s(10.52%)p6.34(66.73%)d2.16(22.74%)	0.000113677	2.924290031 Hartree
87	RY(10)C2 s(6.35%)p10.68(67.80%)d4.07(25.86%)	0.000086035	3.208127139 Hartree
88	RY(11)C2 s(26.87%)p0.88(23.62%)d1.84(49.51%)	0.000078010	2.059712215 Hartree
89	RY(12)C2 s(0.00%)p1.00(11.08%)d8.02(88.92%)	0.000065040	2.296588810 Hartree
90	RY(13)C2 s(10.22%)p5.75(58.74%)d3.04(31.05%)	0.000044959	1.974087091 Hartree
91	RY(14)C2 s(56.39%)p0.11(6.46%)d0.66(37.15%)	0.000034182	5.012680895 Hartree
92	RY(15)C2 s(10.70%)p2.14(22.91%)d6.20(66.39%)	0.000017688	4.198424064 Hartree
93	RY(16)C2 s(48.85%)p0.52(25.28%)d0.53(25.87%)	0.000007797	7.557767070 Hartree
94	RY(17)C2 s(0.00%)p1.00(55.58%)d0.80(44.42%)	0.000004575	1.370405052 Hartree
95	RY(18)C2 s(6.64%)p4.56(30.29%)d9.50(63.07%)	0.000003170	2.307656801 Hartree
96	RY(19)C2 s(0.00%)p1.00(39.09%)d1.56(60.91%)	0.000000000	2.546713154 Hartree
97	RY(20)C2 s(0.00%)p1.00(75.74%)d0.32(24.26%)	0.000000000	2.870508797 Hartree
98	RY(21)C2 s(29.55%)p1.49(43.96%)d0.90(26.49%)	0.000000455	5.674944507 Hartree
99	RY(22)C2 s(7.15%)p0.30(2.13%)d12.69(90.72%)	0.000000828	4.612292596 Hartree
100	RY(1)C3 s(4.25%)p21.52(91.58%)d0.98(4.17%)	0.006417203	1.230671479 Hartree
101	RY(2)C3 s(0.38%)p99.99(85.48%)d36.83(14.14%)	0.002705510	1.478008546 Hartree
102	RY(3)C3 s(0.00%)p1.00(4.74%)d20.09(95.26%)	0.001863439	1.707510499 Hartree
103	RY(4)C3 s(11.84%)p0.99(11.69%)d6.46(76.47%)	0.001243552	2.772888114 Hartree
104	RY(5)C3 s(0.00%)p1.00(1.45%)d68.03(98.55%)	0.000647620	2.016228326 Hartree
105	RY(6)C3 s(26.03%)p0.29(7.45%)d2.56(66.52%)	0.000556925	3.712841441 Hartree
106	RY(7)C3 s(0.33%)p99.99(46.11%)d99.99(53.56%)	0.000544428	3.145740600 Hartree
107	RY(8)C3 s(1.04%)p37.90(39.37%)d57.37(59.59%)	0.000398707	2.921472803 Hartree
108	RY(9)C3 s(0.00%)p1.00(89.02%)d0.12(10.98%)	0.000292660	0.878366457 Hartree
109	RY(10)C3 s(30.04%)p0.92(27.61%)d1.41(42.35%)	0.000217208	5.121114837 Hartree
110	RY(11)C3 s(37.71%)p1.32(49.64%)d0.34(12.65%)	0.000078261	1.460081101 Hartree
111	RY(12)C3 s(6.43%)p9.15(58.80%)d5.41(34.77%)	0.000065265	3.823324565 Hartree
112	RY(13)C3 s(0.00%)p1.00(1.55%)d63.64(98.45%)	0.000049937	2.545887688 Hartree
113	RY(14)C3 s(18.14%)p3.17(57.43%)d1.35(24.43%)	0.000025459	3.107075681 Hartree
114	RY(15)C3 s(0.00%)p1.00(25.44%)d2.93(74.56%)	0.000007240	2.776670873 Hartree
115	RY(16)C3 s(29.66%)p1.19(35.35%)d1.18(35.00%)	0.000003064	4.593073195 Hartree
116	RY(17)C3 s(26.59%)p0.88(23.49%)d1.88(49.92%)	0.000001545	3.485162548 Hartree
117	RY(18)C3 s(13.92%)p3.65(50.87%)d2.53(35.21%)	0.000002483	3.041261078 Hartree
118	RY(19)C3 s(79.70%)p0.07(5.69%)d0.18(14.61%)	0.000000168	3.711124652 Hartree
119	RY(20)C3 s(0.00%)p1.00(90.73%)d0.10(9.27%)	0.000000000	0.947635589 Hartree
120	RY(21)C3 s(0.00%)p1.00(87.14%)d0.15(12.86%)	0.000000000	2.262759373 Hartree
121	RY(22)C3 s(14.19%)p0.66(9.41%)d5.38(76.39%)	0.000000591	5.143536591 Hartree
122	RY(1)C4 s(0.83%)p99.99(85.29%)d16.79(13.88%)	0.005539191	1.417550940 Hartree
123	RY(2)C4 s(1.32%)p67.57(89.42%)d7.00(9.26%)	0.002846803	1.211484214 Hartree
124	RY(3)C4 s(0.00%)p1.00(94.78%)d0.06(5.22%)	0.001626623	0.696182482 Hartree
125	RY(4)C4 s(30.21%)p0.46(13.94%)d1.85(55.86%)	0.000801523	2.538510804 Hartree
126	RY(5)C4 s(0.00%)p1.00(0.37%)d99.99(99.63%)	0.000509702	2.278804791 Hartree
127	RY(6)C4 s(2.89%)p11.89(34.38%)d21.69(62.73%)	0.000421127	3.467468744 Hartree
128	RY(7)C4 s(50.74%)p0.66(33.60%)d0.31(15.66%)	0.000229483	4.491335466 Hartree
129	RY(8)C4 s(0.00%)p1.00(31.85%)d2.14(68.15%)	0.000209236	1.739946767 Hartree
130	RY(9)C4 s(7.99%)p6.48(51.79%)d5.03(40.22%)	0.000172080	3.808217313 Hartree
131	RY(10)C4 s(5.70%)p11.20(63.85%)d5.34(30.45%)	0.000101597	2.852357426 Hartree
132	RY(11)C4 s(0.00%)p1.00(8.21%)d11.18(91.79%)	0.000087009	1.764644254 Hartree
133	RY(12)C4 s(9.15%)p7.67(70.16%)d2.26(20.69%)	0.000075481	3.150339545 Hartree
134	RY(13)C4 s(9.98%)p2.14(21.33%)d6.88(68.69%)	0.000042719	1.921438131 Hartree
135	RY(14)C4 s(45.45%)p0.63(28.86%)d0.57(25.69%)	0.000028427	7.428027369 Hartree
136	RY(15)C4 s(46.64%)p0.06(2.93%)d1.08(50.43%)	0.000016405	2.576172814 Hartree
137	RY(16)C4 s(10.15%)p6.04(61.32%)d2.81(28.52%)	0.000006822	2.868419145 Hartree
138	RY(17)C4 s(5.50%)p7.19(39.53%)d10.00(54.97%)	0.000006617	2.633162437 Hartree
139	RY(18)C4 s(0.00%)p1.00(48.74%)d1.05(51.26%)	0.000004675	1.795264748 Hartree
140	RY(19)C4 s(0.00%)p1.00(17.99%)d4.56(82.01%)	0.000000000	2.297591425 Hartree
141	RY(20)C4 s(70.96%)p0.02(1.23%)d0.39(27.81%)	0.000000354	6.302016223 Hartree
142	RY(21)C4 s(0.00%)p1.00(98.12%)d0.02(1.88%)	0.000000000	2.836609445 Hartree
143	RY(22)C4 s(2.63%)p0.93(2.43%)d36.12(94.94%)	0.000000789	3.496786126 Hartree
144	RY(1)C5 s(0.78%)p99.99(86.59%)d16.14(12.63%)	0.005870578	1.469514971 Hartree
145	RY(2)C5 s(0.73%)p99.99(90.06%)d12.59(9.20%)	0.001708939	1.096265390 Hartree
146	RY(3)C5 s(0.00%)p1.00(78.52%)d0.27(21.48%)	0.000917473	0.563153762 Hartree
147	RY(4)C5 s(0.00%)p1.00(15.30%)d5.53(84.70%)	0.000578077	2.087880967 Hartree
148	RY(5)C5 s(16.11%)p0.94(15.19%)d4.26(68.69%)	0.000474593	2.742164320 Hartree
149	RY(6)C5 s(28.05%)p1.30(36.49%)d1.26(35.45%)	0.000288314	3.317117471 Hartree
150	RY(7)C5 s(25.67%)p1.12(28.87%)d1.77(45.46%)	0.000213024	2.351775350 Hartree
151	RY(8)C5 s(2.82%)p18.77(52.97%)d15.66(44.21%)	0.000144103	1.956392999 Hartree
152	RY(9)C5 s(7.76%)p5.24(40.63%)d6.65(51.61%)	0.000061765	2.329091308 Hartree
153	RY(10)C5 s(0.00%)p1.00(14.67%)d5.82(85.33%)	0.000056781	1.049378471 Hartree
154	RY(11)C5 s(19.05%)p2.91(55.47%)d1.34(25.48%)	0.000034464	1.945851667 Hartree
155	RY(12)C5 s(68.16%)p0.38(25.85%)d0.09(5.99%)	0.000010204	5.205940788 Hartree
156	RY(13)C5 s(0.00%)p1.00(58.75%)d0.70(41.25%)	0.000009281	1.417636287 Hartree
157	RY(14)C5 s(20.20%)p3.70(74.75%)d0.25(5.05%)	0.000006467	3.875448975 Hartree
158	RY(15)C5 s(14.86%)p1.29(19.19%)d4.44(65.95%)	0.000002893	3.564083389 Hartree
159	RY(16)C5 s(57.31%)p0.25(14.45%)d0.49(28.24%)	0.000002195	11.358276361 Hartree
160	RY(17)C5 s(0.00%)p1.00(37.70%)d1.65(62.30%)	0.000000000	2.640124512 Hartree
161	RY(18)C5 s(15.22%)p2.50(37.97%)d3.08(46.81%)	0.000000115	4.499882997 Hartree
162	RY(19)C5 s(0.00%)p1.00(26.85%)d2.72(73.15%)	0.000000000	2.021312314 Hartree
163	RY(20)C5 s(1.65%)p5.19(8.55%)d54.48(89.80%)	0.000000602	3.595540909 Hartree
164	RY(21)C5 s(0.00%)p1.00(68.27%)d0.46(31.73%)	0.000000047	3.027222192 Hartree
165	RY(22)C5 s(21.82%)p0.60(13.05%)d2.99(65.13%)	0.000001004	5.728945537 Hartree
166	RY(1)C6 s(0.28%)p99.99(86.18%)d47.93(13.53%)	0.006019770	1.418379614 Hartree
167	RY(2)C6 s(0.00%)p1.00(99.14%)d0.01(0.85%)	0.001645763	1.400601742 Hartree
168	RY(3)C6 s(0.00%)p1.00(85.31%)d0.17(14.69%)	0.001129708	0.485307297 Hartree
169	RY(4)C6 s(0.00%)p1.00(0.20%)d99.99(99.80%)	0.000446609	2.579324589 Hartree
170	RY(5)C6 s(5.54%)p3.06(16.97%)d13.99(77.49%)	0.000274789	3.195166443 Hartree
171	RY(6)C6 s(21.30%)p0.58(12.36%)d3.12(66.34%)	0.000259144	3.310965650 Hartree
172	RY(7)C6 s(32.32%)p0.16(5.13%)d1.94(62.55%)	0.000115211	3.939277013 Hartree
173	RY(8)C6 s(32.52%)p0.32(10.42%)d1.75(57.06%)	0.000046436	1.411856167 Hartree
174	RY(9)C6 s(1.09%)p74.03(81.06%)d16.29(17.84%)	0.000026082	2.674497236 Hartree
175	RY(10)C6 s(51.68%)p0.77(39.71%)d0.17(8.60%)	0.000016448	7.543911996 Hartree
176	RY(11)C6 s(2.66%)p35.00(93.12%)d1.59(4.22%)	0.000016692	1.001491298 Hartree
177	RY(12)C6 s(14.38%)p2.63(37.83%)d3.32(47.79%)	0.000009594	4.852764353 Hartree
178	RY(13)C6 s(0.00%)p1.00(88.20%)d0.13(11.80%)	0.000007041	0.630330003 Hartree
179	RY(14)C6 s(2.25%)p2.23(5.00%)d41.31(92.75%)	0.000006820	3.022920118 Hartree
180	RY(15)C6 s(54.25%)p0.40(21.67%)d0.44(24.08%)	0.000002650	4.493515012 Hartree
181	RY(16)C6 s(55.77%)p0.45(25.00%)d0.34(19.22%)	0.000000032	4.047575419 Hartree
182	RY(17)C6 s(0.00%)p1.00(5.15%)d18.43(94.85%)	0.000001026	1.916574470 Hartree
183	RY(18)C6 s(0.00%)p1.00(19.64%)d4.09(80.36%)	0.000000377	0.995927092 Hartree
184	RY(19)C6 s(0.00%)p1.00(1.77%)d55.47(98.23%)	0.000000000	3.306435178 Hartree
185	RY(20)C6 s(0.00%)p1.00(99.77%)d0.00(0.23%)	0.000000000	2.838228490 Hartree
186	RY(21)C6 s(17.17%)p2.17(37.33%)d2.65(45.50%)	0.000000911	4.197020573 Hartree
187	RY(22)C6 s(8.94%)p3.26(29.16%)d6.93(61.90%)	0.000000169	4.297329668 Hartree
188	RY(1)C7 s(0.89%)p97.88(86.81%)d13.87(12.30%)	0.005864561	1.457317862 Hartree
189	RY(2)C7 s(0.96%)p94.49(90.72%)d8.67(8.32%)	0.001732802	1.106515678 Hartree
190	RY(3)C7 s(0.00%)p1.00(84.65%)d0.18(15.35%)	0.000990515	0.480136070 Hartree
191	RY(4)C7 s(0.00%)p1.00(7.21%)d12.87(92.79%)	0.000600479	2.184431874 Hartree
192	RY(5)C7 s(16.96%)p0.84(14.32%)d4.05(68.72%)	0.000506066	2.723415250 Hartree
193	RY(6)C7 s(20.11%)p1.86(37.45%)d2.11(42.44%)	0.000269285	3.588720555 Hartree
194	RY(7)C7 s(26.27%)p1.35(35.38%)d1.46(38.35%)	0.000208077	2.063318466 Hartree
195	RY(8)C7 s(4.24%)p9.60(40.73%)d12.97(55.02%)	0.000139812	1.678562407 Hartree
196	RY(9)C7 s(0.00%)p1.00(14.65%)d5.82(85.35%)	0.000066165	1.127226484 Hartree
197	RY(10)C7 s(7.08%)p7.09(50.22%)d6.03(42.69%)	0.000056543	2.145055272 Hartree
198	RY(11)C7 s(21.17%)p2.62(55.55%)d1.10(23.28%)	0.000028155	2.405315583 Hartree
199	RY(12)C7 s(0.00%)p1.00(33.56%)d1.98(66.44%)	0.000014613	1.772014976 Hartree
200	RY(13)C7 s(47.99%)p0.91(43.88%)d0.17(8.13%)	0.000009860	5.272589163 Hartree
201	RY(14)C7 s(12.96%)p3.22(41.75%)d3.50(45.30%)	0.000004576	4.208765499 Hartree
202	RY(15)C7 s(40.22%)p0.77(31.03%)d0.71(28.75%)	0.000003600	2.662054546 Hartree
203	RY(16)C7 s(49.76%)p0.25(12.21%)d0.76(38.03%)	0.000002387	9.606835111 Hartree
204	RY(17)C7 s(15.34%)p2.73(41.93%)d2.78(42.73%)	0.000001589	2.553697178 Hartree
205	RY(18)C7 s(28.85%)p0.50(14.54%)d1.96(56.61%)	0.000000282	6.572894394 Hartree
206	RY(19)C7 s(0.00%)p1.00(59.09%)d0.69(40.91%)	0.000000382	0.974264483 Hartree
207	RY(20)C7 s(0.00%)p1.00(2.23%)d43.84(97.77%)	0.000000000	3.301839577 Hartree
208	RY(21)C7 s(0.00%)p1.00(98.65%)d0.01(1.35%)	0.000000000	2.950401149 Hartree
209	RY(22)C7 s(7.36%)p0.49(3.58%)d12.09(89.06%)	0.000000437	3.674639085 Hartree
210	RY(1)H8 s(91.91%)p0.09(8.09%)	0.000661891	1.123660687 Hartree
211	RY(2)H8 s(62.12%)p0.61(37.88%)	0.000227775	2.667097960 Hartree
212	RY(3)H8 s(0.00%)p1.00(100.00%)	0.000096595	1.861170643 Hartree
213	RY(4)H8 s(2.31%)p42.23(97.69%)	0.000058558	2.306595049 Hartree
214	RY(5)H8 s(43.71%)p1.29(56.29%)	0.000022187	2.186223905 Hartree
215	RY(1)H9 s(92.64%)p0.08(7.36%)	0.001107918	1.062220918 Hartree
216	RY(2)H9 s(62.75%)p0.59(37.25%)	0.000165078	2.566262219 Hartree
217	RY(3)H9 s(0.00%)p1.00(100.00%)	0.000092456	1.852143661 Hartree
218	RY(4)H9 s(0.00%)p1.00(100.00%)	0.000061452	2.306385120 Hartree
219	RY(5)H9 s(44.67%)p1.24(55.33%)	0.000020041	2.219526396 Hartree
220	RY(1)H10 s(91.77%)p0.09(8.23%)	0.000656313	1.124778228 Hartree
221	RY(2)H10 s(63.13%)p0.58(36.87%)	0.000232361	2.673793174 Hartree
222	RY(3)H10 s(0.00%)p1.00(100.00%)	0.000091811	1.864290861 Hartree
223	RY(4)H10 s(2.55%)p38.24(97.45%)	0.000059158	2.307061452 Hartree
224	RY(5)H10 s(42.61%)p1.35(57.39%)	0.000022580	2.190013791 Hartree
225	RY(1)C11 s(0.65%)p99.99(97.17%)d3.34(2.18%)	0.003016343	0.853099390 Hartree
226	RY(2)C11 s(0.00%)p1.00(74.22%)d0.35(25.78%)	0.000971387	0.852929302 Hartree
227	RY(3)C11 s(41.33%)p1.07(44.06%)d0.35(14.61%)	0.000592283	1.344643085 Hartree
228	RY(4)C11 s(9.46%)p3.58(33.84%)d5.99(56.69%)	0.000281888	2.038385536 Hartree
229	RY(5)C11 s(29.53%)p0.22(6.41%)d2.17(64.07%)	0.000164063	1.282599105 Hartree
230	RY(6)C11 s(16.69%)p3.11(51.97%)d1.88(31.34%)	0.000129488	1.949626816 Hartree
231	RY(7)C11 s(0.00%)p1.00(40.57%)d1.47(59.43%)	0.000076421	0.777814145 Hartree
232	RY(8)C11 s(5.59%)p1.32(7.36%)d15.58(87.05%)	0.000035003	1.633400151 Hartree
233	RY(9)C11 s(0.00%)p1.00(72.59%)d0.38(27.41%)	0.000022073	0.891104006 Hartree
234	RY(10)C11 s(15.73%)p4.07(64.00%)d1.29(20.27%)	0.000012372	2.617741264 Hartree
235	RY(11)C11 s(0.00%)p1.00(2.87%)d33.89(97.13%)	0.000011571	1.314527611 Hartree
236	RY(12)C11 s(40.54%)p0.57(22.93%)d0.90(36.54%)	0.000006853	6.575789136 Hartree
237	RY(13)C11 s(42.87%)p0.79(33.74%)d0.55(23.39%)	0.000003009	7.586517780 Hartree
238	RY(14)C11 s(12.86%)p2.06(26.45%)d4.72(60.69%)	0.000003914	3.083545460 Hartree
239	RY(15)C11 s(0.00%)p1.00(71.67%)d0.40(28.33%)	0.000000000	3.047303560 Hartree
240	RY(16)C11 s(29.85%)p0.61(18.32%)d1.74(51.83%)	0.000000712	8.749835496 Hartree
241	RY(17)C11 s(19.17%)p3.35(64.13%)d0.87(16.70%)	0.000000188	4.243761791 Hartree
242	RY(18)C11 s(0.00%)p1.00(2.71%)d35.95(97.29%)	0.000000000	3.226402690 Hartree
243	RY(19)C11 s(6.02%)p9.71(58.46%)d5.90(35.53%)	0.000000472	1.815539065 Hartree
244	RY(20)C11 s(28.34%)p2.31(65.59%)d0.21(6.07%)	0.000001206	2.068107163 Hartree
245	RY(21)C11 s(0.00%)p1.00(35.52%)d1.82(64.48%)	0.000000053	3.612330997 Hartree
246	RY(22)C11 s(1.41%)p4.13(5.81%)d65.95(92.78%)	0.000000057	3.529895513 Hartree
247	RY(1)H12 s(99.19%)p0.01(0.81%)	0.000860144	0.545202093 Hartree
248	RY(2)H12 s(82.49%)p0.21(17.51%)	0.000086702	2.364759866 Hartree
249	RY(3)H12 s(1.70%)p57.79(98.30%)	0.000052913	2.010599258 Hartree
250	RY(4)H12 s(0.22%)p99.99(99.78%)	0.000026911	2.588757389 Hartree
251	RY(5)H12 s(16.45%)p5.08(83.55%)	0.000012785	2.027100571 Hartree
252	RY(1)H13 s(99.19%)p0.01(0.81%)	0.000860144	0.545202093 Hartree
253	RY(2)H13 s(82.49%)p0.21(17.51%)	0.000086702	2.364759866 Hartree
254	RY(3)H13 s(1.70%)p57.79(98.30%)	0.000052913	2.010599258 Hartree
255	RY(4)H13 s(0.22%)p99.99(99.78%)	0.000026911	2.588757389 Hartree
256	RY(5)H13 s(16.45%)p5.08(83.55%)	0.000012785	2.027100570 Hartree
257	RY(1)H14 s(96.18%)p0.04(3.82%)	0.000690687	0.655147348 Hartree
258	RY(2)H14 s(77.10%)p0.30(22.90%)	0.000074682	2.353552276 Hartree
259	RY(3)H14 s(9.04%)p10.06(90.96%)	0.000020520	2.257057922 Hartree
260	RY(4)H14 s(0.00%)p1.00(100.00%)	0.000018880	1.922925986 Hartree
261	RY(5)H14 s(17.73%)p4.64(82.27%)	0.000009366	2.240655959 Hartree
262	RY(1)O15 s(0.00%)p1.00(95.26%)d0.05(4.74%)	0.003739092	0.519208595 Hartree
263	RY(2)O15 s(3.38%)p27.17(91.86%)d1.41(4.76%)	0.001471239	0.944695127 Hartree
264	RY(3)O15 s(0.29%)p99.99(84.74%)d51.85(14.97%)	0.000544067	0.634012016 Hartree
265	RY(4)O15 s(6.50%)p12.06(78.38%)d2.33(15.12%)	0.000134520	2.106704511 Hartree
266	RY(5)O15 s(2.33%)p19.59(45.61%)d22.36(52.06%)	0.000087428	2.488052344 Hartree
267	RY(6)O15 s(3.77%)p13.82(52.05%)d11.73(44.18%)	0.000049388	2.093158971 Hartree
268	RY(7)O15 s(0.00%)p1.00(1.76%)d55.82(98.24%)	0.000039439	1.626275356 Hartree
269	RY(8)O15 s(29.13%)p0.80(23.42%)d1.63(47.44%)	0.000030832	2.750255578 Hartree
270	RY(9)O15 s(0.00%)p1.00(96.41%)d0.04(3.59%)	0.000028318	1.192368403 Hartree
271	RY(10)O15 s(28.21%)p0.77(21.65%)d1.78(50.13%)	0.000015511	2.270774464 Hartree
272	RY(11)O15 s(53.50%)p0.22(11.62%)d0.65(34.88%)	0.000008819	2.489145429 Hartree
273	RY(12)O15 s(24.80%)p1.44(35.66%)d1.59(39.55%)	0.000004406	4.070811177 Hartree
274	RY(13)O15 s(13.45%)p4.42(59.42%)d2.02(27.13%)	0.000000843	5.479535007 Hartree
275	RY(14)O15 s(0.00%)p1.00(68.57%)d0.46(31.43%)	0.000000000	5.390630966 Hartree
276	RY(15)O15 s(69.33%)p0.02(1.69%)d0.42(28.98%)	0.000000100	36.168452493 Hartree
277	RY(16)O15 s(28.66%)p0.20(5.72%)d2.29(65.62%)	0.000000796	4.516852541 Hartree
278	RY(17)O15 s(0.00%)p1.00(9.52%)d9.50(90.48%)	0.000001115	2.278805479 Hartree
279	RY(18)O15 s(0.00%)p1.00(17.94%)d4.57(82.06%)	0.000000034	6.482431852 Hartree
280	RY(19)O15 s(0.00%)p1.00(10.72%)d8.33(89.28%)	0.000000000	6.344420781 Hartree
281	RY(20)O15 s(9.54%)p7.83(74.65%)d1.66(15.82%)	0.000000193	5.672855584 Hartree
282	RY(21)O15 s(20.58%)p0.52(10.77%)d3.34(68.65%)	0.000000096	14.126382935 Hartree
283	RY(22)O15 s(6.60%)p0.51(3.35%)d13.65(90.06%)	0.000000029	9.288489133 Hartree
284	RY(1)H16 s(0.00%)p1.00(100.00%)	0.001056812	1.821437824 Hartree
285	RY(2)H16 s(57.76%)p0.73(42.24%)	0.000716360	2.001633834 Hartree
286	RY(3)H16 s(48.15%)p1.08(51.85%)	0.000261924	2.042304552 Hartree
287	RY(4)H16 s(63.84%)p0.57(36.16%)	0.000114668	2.156345720 Hartree
288	RY(5)H16 s(30.32%)p2.30(69.68%)	0.000006771	2.307909944 Hartree
289	RY(1)H17 s(99.40%)p0.01(0.60%)	0.001183152	0.527688764 Hartree
290	RY(2)H17 s(61.50%)p0.63(38.50%)	0.000066585	2.107881249 Hartree
291	RY(3)H17 s(6.98%)p13.33(93.02%)	0.000042376	2.078672813 Hartree
292	RY(4)H17 s(17.69%)p4.65(82.31%)	0.000029512	2.736791076 Hartree
293	RY(5)H17 s(14.49%)p5.90(85.51%)	0.000011981	1.991180282 Hartree
294	RY(1)H18 s(95.65%)p0.05(4.35%)	0.000618558	0.675273430 Hartree
295	RY(2)H18 s(79.70%)p0.25(20.30%)	0.000084078	2.469378712 Hartree
296	RY(3)H18 s(4.27%)p22.41(95.73%)	0.000026676	2.124334415 Hartree
297	RY(4)H18 s(0.00%)p1.00(100.00%)	0.000027333	1.907895095 Hartree
298	RY(5)H18 s(20.42%)p3.90(79.58%)	0.000008154	2.181836949 Hartree
299	RY(1)H19 s(99.40%)p0.01(0.60%)	0.001183152	0.527688764 Hartree
300	RY(2)H19 s(61.50%)p0.63(38.50%)	0.000066585	2.107881249 Hartree
301	RY(3)H19 s(6.98%)p13.33(93.02%)	0.000042376	2.078672813 Hartree
302	RY(4)H19 s(17.69%)p4.65(82.31%)	0.000029512	2.736791076 Hartree
303	RY(5)H19 s(14.49%)p5.90(85.51%)	0.000011981	1.991180282 Hartree

Natural Bond Orbitals

Display Range		- / 303
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	CR(1)C1	353	1.999993015	-10.546229434 Hartree
2	CR(1)C2	354	1.999993289	-10.547200557 Hartree
3	CR(1)C3	355	1.999991990	-10.595715388 Hartree
4	CR(1)C4	356	1.999993485	-10.541338925 Hartree
5	CR(1)C5	357	1.999993424	-10.533981273 Hartree
6	CR(1)C6	358	1.999993506	-10.529919034 Hartree
7	CR(1)C7	359	1.999993435	-10.536388687 Hartree
8	CR(1)C11	360	1.999992966	-10.525055637 Hartree
9	CR(1)O15	361	1.999996769	-19.653090225 Hartree
10	LP(1)O15	362	1.980913096	-0.616398866 Hartree
11	LP(2)O15	363	1.891636569	-0.399783196 Hartree
12	BD(1)C1-C2	364, 365	1.981355077	-0.620346627 Hartree
13	BD(1)C1-H17	366, 367	1.982318162	-0.551281691 Hartree
14	BD(1)C1-H18	368, 369	1.989096489	-0.549797836 Hartree
15	BD(1)C1-H19	370, 371	1.982318162	-0.551281691 Hartree
16	BD(1)C2-C3	372, 373	1.972300057	-0.677314351 Hartree
17	BD(2)C2-C3	374, 375	1.642511706	-0.291862969 Hartree
18	BD(1)C2-C7	376, 377	1.970555321	-0.660698303 Hartree
19	BD(1)C3-C4	378, 379	1.968114940	-0.669383711 Hartree
20	BD(1)C3-O15	380, 381	1.993293686	-0.891532852 Hartree
21	BD(1)C4-C5	382, 383	1.972012181	-0.658631762 Hartree
22	BD(2)C4-C5	384, 385	1.678774664	-0.283651691 Hartree
23	BD(1)C4-C11	386, 387	1.980326905	-0.605953358 Hartree
24	BD(1)C5-C6	388, 389	1.976082351	-0.655889791 Hartree
25	BD(1)C5-H10	390, 391	1.980969998	-0.542167325 Hartree
26	BD(1)C6-C7	392, 393	1.975927590	-0.658323564 Hartree
27	BD(2)C6-C7	394, 395	1.691012347	-0.285682284 Hartree
28	BD(1)C6-H9	396, 397	1.981236372	-0.541763707 Hartree
29	BD(1)C7-H8	398, 399	1.981027882	-0.545647031 Hartree
30	BD(1)C11-H12	400, 401	1.980007880	-0.526115609 Hartree
31	BD(1)C11-H13	402, 403	1.980007880	-0.526115609 Hartree
32	BD(1)C11-H14	404, 405	1.989930479	-0.532037346 Hartree
33	BD(1)O15-H16	406, 407	1.987948726	-0.781748967 Hartree
34	BD*(1)C1-C2		0.016209222	0.470851738 Hartree
35	BD*(1)C1-H17		0.010504929	0.447150632 Hartree
36	BD*(1)C1-H18		0.005617977	0.466749607 Hartree
37	BD*(1)C1-H19		0.010504929	0.447150632 Hartree
38	BD*(1)C2-C3		0.034123124	0.630479229 Hartree
39	BD*(2)C2-C3		0.390606140	0.069724966 Hartree
40	BD*(1)C2-C7		0.021466938	0.645913805 Hartree
41	BD*(1)C3-C4		0.032206075	0.632252489 Hartree
42	BD*(1)C3-O15		0.021885620	0.424611033 Hartree
43	BD*(1)C4-C5		0.020444155	0.654852721 Hartree
44	BD*(2)C4-C5		0.353648334	0.078440246 Hartree
45	BD*(1)C4-C11		0.015463402	0.488711371 Hartree
46	BD*(1)C5-C6		0.015172529	0.647636225 Hartree
47	BD*(1)C5-H10		0.014539968	0.506874329 Hartree
48	BD*(1)C6-C7		0.015045296	0.650559113 Hartree
49	BD*(2)C6-C7		0.354849193	0.071963894 Hartree
50	BD*(1)C6-H9		0.013530313	0.511115206 Hartree
51	BD*(1)C7-H8		0.014483686	0.503488912 Hartree
52	BD*(1)C11-H12		0.009086001	0.476582244 Hartree
53	BD*(1)C11-H13		0.009086001	0.476582244 Hartree
54	BD*(1)C11-H14		0.004767746	0.479517654 Hartree
55	BD*(1)O15-H16		0.007359499	0.487145551 Hartree
56	RY(1)C1	408	0.003300147	0.783948513 Hartree
57	RY(2)C1	409	0.000956744	0.873754269 Hartree
58	RY(3)C1	410	0.000524795	1.191830963 Hartree
59	RY(4)C1	411	0.000288756	2.078568522 Hartree
60	RY(5)C1	412	0.000145831	2.173458346 Hartree
61	RY(6)C1	413	0.000094639	1.114057773 Hartree
62	RY(7)C1	414	0.000086759	1.555866171 Hartree
63	RY(8)C1	415	0.000062768	1.132724796 Hartree
64	RY(9)C1	416	0.000031731	2.260344928 Hartree
65	RY(10)C1	417	0.000012715	0.444055407 Hartree
66	RY(11)C1	418	0.000007652	1.553658279 Hartree
67	RY(12)C1	419	0.000005952	8.160579782 Hartree
68	RY(13)C1	420	0.000004197	5.306963289 Hartree
69	RY(14)C1	421	0.000001710	2.397842781 Hartree
70	RY(15)C1	422	0.000000705	2.063690837 Hartree
71	RY(16)C1	423	0.000001505	4.235000301 Hartree
72	RY(17)C1	424	0.000000000	3.119794343 Hartree
73	RY(18)C1	425	0.000000000	3.092827856 Hartree
74	RY(19)C1	426	0.000000203	4.745843778 Hartree
75	RY(20)C1	427	0.000000062	3.798433235 Hartree
76	RY(21)C1	428	0.000000735	7.163809405 Hartree
77	RY(22)C1	429	0.000000065	3.334862495 Hartree
78	RY(1)C2	430	0.004923290	1.428736326 Hartree
79	RY(2)C2	431	0.002584145	1.320435712 Hartree
80	RY(3)C2	432	0.001645247	0.759000190 Hartree
81	RY(4)C2	433	0.000887225	2.398972190 Hartree
82	RY(5)C2	434	0.000578299	2.056017565 Hartree
83	RY(6)C2	435	0.000419145	3.447696042 Hartree
84	RY(7)C2	436	0.000263414	4.173614966 Hartree
85	RY(8)C2	437	0.000195986	1.463293292 Hartree
86	RY(9)C2	438	0.000113677	2.924290031 Hartree
87	RY(10)C2	439	0.000086035	3.208127139 Hartree
88	RY(11)C2	440	0.000078010	2.059712215 Hartree
89	RY(12)C2	441	0.000065040	2.296588810 Hartree
90	RY(13)C2	442	0.000044959	1.974087091 Hartree
91	RY(14)C2	443	0.000034182	5.012680895 Hartree
92	RY(15)C2	444	0.000017688	4.198424064 Hartree
93	RY(16)C2	445	0.000007797	7.557767070 Hartree
94	RY(17)C2	446	0.000004575	1.370405052 Hartree
95	RY(18)C2	447	0.000003170	2.307656801 Hartree
96	RY(19)C2	448	0.000000000	2.546713154 Hartree
97	RY(20)C2	449	0.000000000	2.870508797 Hartree
98	RY(21)C2	450	0.000000455	5.674944507 Hartree
99	RY(22)C2	451	0.000000828	4.612292596 Hartree
100	RY(1)C3	452	0.006417203	1.230671479 Hartree
101	RY(2)C3	453	0.002705510	1.478008546 Hartree
102	RY(3)C3	454	0.001863439	1.707510499 Hartree
103	RY(4)C3	455	0.001243552	2.772888114 Hartree
104	RY(5)C3	456	0.000647620	2.016228326 Hartree
105	RY(6)C3	457	0.000556925	3.712841441 Hartree
106	RY(7)C3	458	0.000544428	3.145740600 Hartree
107	RY(8)C3	459	0.000398707	2.921472803 Hartree
108	RY(9)C3	460	0.000292660	0.878366457 Hartree
109	RY(10)C3	461	0.000217208	5.121114837 Hartree
110	RY(11)C3	462	0.000078261	1.460081101 Hartree
111	RY(12)C3	463	0.000065265	3.823324565 Hartree
112	RY(13)C3	464	0.000049937	2.545887688 Hartree
113	RY(14)C3	465	0.000025459	3.107075681 Hartree
114	RY(15)C3	466	0.000007240	2.776670873 Hartree
115	RY(16)C3	467	0.000003064	4.593073195 Hartree
116	RY(17)C3	468	0.000001545	3.485162548 Hartree
117	RY(18)C3	469	0.000002483	3.041261078 Hartree
118	RY(19)C3	470	0.000000167	3.711124652 Hartree
119	RY(20)C3	471	0.000000000	0.947635589 Hartree
120	RY(21)C3	472	0.000000000	2.262759373 Hartree
121	RY(22)C3	473	0.000000591	5.143536591 Hartree
122	RY(1)C4	474	0.005539191	1.417550940 Hartree
123	RY(2)C4	475	0.002846803	1.211484214 Hartree
124	RY(3)C4	476	0.001626623	0.696182482 Hartree
125	RY(4)C4	477	0.000801523	2.538510804 Hartree
126	RY(5)C4	478	0.000509702	2.278804791 Hartree
127	RY(6)C4	479	0.000421127	3.467468744 Hartree
128	RY(7)C4	480	0.000229483	4.491335466 Hartree
129	RY(8)C4	481	0.000209236	1.739946767 Hartree
130	RY(9)C4	482	0.000172080	3.808217313 Hartree
131	RY(10)C4	483	0.000101597	2.852357426 Hartree
132	RY(11)C4	484	0.000087009	1.764644254 Hartree
133	RY(12)C4	485	0.000075481	3.150339545 Hartree
134	RY(13)C4	486	0.000042719	1.921438131 Hartree
135	RY(14)C4	487	0.000028427	7.428027369 Hartree
136	RY(15)C4	488	0.000016405	2.576172814 Hartree
137	RY(16)C4	489	0.000006822	2.868419145 Hartree
138	RY(17)C4	490	0.000006617	2.633162437 Hartree
139	RY(18)C4	491	0.000004675	1.795264748 Hartree
140	RY(19)C4	492	0.000000000	2.297591425 Hartree
141	RY(20)C4	493	0.000000355	6.302016223 Hartree
142	RY(21)C4	494	0.000000000	2.836609445 Hartree
143	RY(22)C4	495	0.000000789	3.496786126 Hartree
144	RY(1)C5	496	0.005870578	1.469514971 Hartree
145	RY(2)C5	497	0.001708939	1.096265390 Hartree
146	RY(3)C5	498	0.000917473	0.563153762 Hartree
147	RY(4)C5	499	0.000578077	2.087880967 Hartree
148	RY(5)C5	500	0.000474593	2.742164320 Hartree
149	RY(6)C5	501	0.000288314	3.317117471 Hartree
150	RY(7)C5	502	0.000213024	2.351775350 Hartree
151	RY(8)C5	503	0.000144103	1.956392999 Hartree
152	RY(9)C5	504	0.000061765	2.329091308 Hartree
153	RY(10)C5	505	0.000056781	1.049378471 Hartree
154	RY(11)C5	506	0.000034464	1.945851667 Hartree
155	RY(12)C5	507	0.000010204	5.205940788 Hartree
156	RY(13)C5	508	0.000009281	1.417636287 Hartree
157	RY(14)C5	509	0.000006467	3.875448975 Hartree
158	RY(15)C5	510	0.000002893	3.564083389 Hartree
159	RY(16)C5	511	0.000002195	11.358276361 Hartree
160	RY(17)C5	512	0.000000000	2.640124512 Hartree
161	RY(18)C5	513	0.000000115	4.499882997 Hartree
162	RY(19)C5	514	0.000000000	2.021312314 Hartree
163	RY(20)C5	515	0.000000602	3.595540909 Hartree
164	RY(21)C5	516	0.000000047	3.027222192 Hartree
165	RY(22)C5	517	0.000001004	5.728945537 Hartree
166	RY(1)C6	518	0.006019770	1.418379614 Hartree
167	RY(2)C6	519	0.001645763	1.400601742 Hartree
168	RY(3)C6	520	0.001129708	0.485307297 Hartree
169	RY(4)C6	521	0.000446609	2.579324589 Hartree
170	RY(5)C6	522	0.000274789	3.195166443 Hartree
171	RY(6)C6	523	0.000259144	3.310965650 Hartree
172	RY(7)C6	524	0.000115211	3.939277013 Hartree
173	RY(8)C6	525	0.000046436	1.411856167 Hartree
174	RY(9)C6	526	0.000026082	2.674497236 Hartree
175	RY(10)C6	527	0.000016448	7.543911996 Hartree
176	RY(11)C6	528	0.000016692	1.001491298 Hartree
177	RY(12)C6	529	0.000009594	4.852764353 Hartree
178	RY(13)C6	530	0.000007041	0.630330003 Hartree
179	RY(14)C6	531	0.000006820	3.022920118 Hartree
180	RY(15)C6	532	0.000002650	4.493515012 Hartree
181	RY(16)C6	533	0.000000032	4.047575419 Hartree
182	RY(17)C6	534	0.000001026	1.916574470 Hartree
183	RY(18)C6	535	0.000000377	0.995927092 Hartree
184	RY(19)C6	536	0.000000000	3.306435178 Hartree
185	RY(20)C6	537	0.000000000	2.838228490 Hartree
186	RY(21)C6	538	0.000000911	4.197020573 Hartree
187	RY(22)C6	539	0.000000169	4.297329668 Hartree
188	RY(1)C7	540	0.005864561	1.457317862 Hartree
189	RY(2)C7	541	0.001732802	1.106515678 Hartree
190	RY(3)C7	542	0.000990515	0.480136070 Hartree
191	RY(4)C7	543	0.000600479	2.184431874 Hartree
192	RY(5)C7	544	0.000506066	2.723415250 Hartree
193	RY(6)C7	545	0.000269285	3.588720555 Hartree
194	RY(7)C7	546	0.000208077	2.063318466 Hartree
195	RY(8)C7	547	0.000139812	1.678562407 Hartree
196	RY(9)C7	548	0.000066165	1.127226484 Hartree
197	RY(10)C7	549	0.000056543	2.145055272 Hartree
198	RY(11)C7	550	0.000028155	2.405315583 Hartree
199	RY(12)C7	551	0.000014613	1.772014976 Hartree
200	RY(13)C7	552	0.000009860	5.272589163 Hartree
201	RY(14)C7	553	0.000004576	4.208765499 Hartree
202	RY(15)C7	554	0.000003600	2.662054546 Hartree
203	RY(16)C7	555	0.000002387	9.606835111 Hartree
204	RY(17)C7	556	0.000001589	2.553697178 Hartree
205	RY(18)C7	557	0.000000282	6.572894394 Hartree
206	RY(19)C7	558	0.000000382	0.974264483 Hartree
207	RY(20)C7	559	0.000000000	3.301839577 Hartree
208	RY(21)C7	560	0.000000000	2.950401149 Hartree
209	RY(22)C7	561	0.000000437	3.674639085 Hartree
210	RY(1)H8	562	0.000661891	1.123660687 Hartree
211	RY(2)H8	563	0.000227775	2.667097960 Hartree
212	RY(3)H8	564	0.000096595	1.861170643 Hartree
213	RY(4)H8	565	0.000058558	2.306595049 Hartree
214	RY(5)H8	566	0.000022187	2.186223905 Hartree
215	RY(1)H9	567	0.001107918	1.062220918 Hartree
216	RY(2)H9	568	0.000165078	2.566262219 Hartree
217	RY(3)H9	569	0.000092456	1.852143661 Hartree
218	RY(4)H9	570	0.000061452	2.306385120 Hartree
219	RY(5)H9	571	0.000020041	2.219526396 Hartree
220	RY(1)H10	572	0.000656313	1.124778228 Hartree
221	RY(2)H10	573	0.000232361	2.673793174 Hartree
222	RY(3)H10	574	0.000091811	1.864290861 Hartree
223	RY(4)H10	575	0.000059158	2.307061452 Hartree
224	RY(5)H10	576	0.000022580	2.190013791 Hartree
225	RY(1)C11	577	0.003016343	0.853099390 Hartree
226	RY(2)C11	578	0.000971387	0.852929302 Hartree
227	RY(3)C11	579	0.000592283	1.344643085 Hartree
228	RY(4)C11	580	0.000281888	2.038385536 Hartree
229	RY(5)C11	581	0.000164063	1.282599105 Hartree
230	RY(6)C11	582	0.000129488	1.949626816 Hartree
231	RY(7)C11	583	0.000076421	0.777814145 Hartree
232	RY(8)C11	584	0.000035003	1.633400151 Hartree
233	RY(9)C11	585	0.000022073	0.891104006 Hartree
234	RY(10)C11	586	0.000012372	2.617741264 Hartree
235	RY(11)C11	587	0.000011571	1.314527611 Hartree
236	RY(12)C11	588	0.000006853	6.575789136 Hartree
237	RY(13)C11	589	0.000003009	7.586517780 Hartree
238	RY(14)C11	590	0.000003914	3.083545460 Hartree
239	RY(15)C11	591	0.000000000	3.047303560 Hartree
240	RY(16)C11	592	0.000000712	8.749835496 Hartree
241	RY(17)C11	593	0.000000188	4.243761791 Hartree
242	RY(18)C11	594	0.000000000	3.226402690 Hartree
243	RY(19)C11	595	0.000000472	1.815539065 Hartree
244	RY(20)C11	596	0.000001206	2.068107163 Hartree
245	RY(21)C11	597	0.000000053	3.612330997 Hartree
246	RY(22)C11	598	0.000000057	3.529895513 Hartree
247	RY(1)H12	599	0.000860144	0.545202093 Hartree
248	RY(2)H12	600	0.000086702	2.364759866 Hartree
249	RY(3)H12	601	0.000052913	2.010599258 Hartree
250	RY(4)H12	602	0.000026911	2.588757389 Hartree
251	RY(5)H12	603	0.000012785	2.027100571 Hartree
252	RY(1)H13	604	0.000860144	0.545202093 Hartree
253	RY(2)H13	605	0.000086702	2.364759866 Hartree
254	RY(3)H13	606	0.000052913	2.010599258 Hartree
255	RY(4)H13	607	0.000026911	2.588757389 Hartree
256	RY(5)H13	608	0.000012785	2.027100570 Hartree
257	RY(1)H14	609	0.000690687	0.655147348 Hartree
258	RY(2)H14	610	0.000074682	2.353552276 Hartree
259	RY(3)H14	611	0.000020520	2.257057922 Hartree
260	RY(4)H14	612	0.000018880	1.922925986 Hartree
261	RY(5)H14	613	0.000009366	2.240655959 Hartree
262	RY(1)O15	614	0.003739092	0.519208595 Hartree
263	RY(2)O15	615	0.001471239	0.944695127 Hartree
264	RY(3)O15	616	0.000544067	0.634012016 Hartree
265	RY(4)O15	617	0.000134520	2.106704511 Hartree
266	RY(5)O15	618	0.000087428	2.488052344 Hartree
267	RY(6)O15	619	0.000049388	2.093158971 Hartree
268	RY(7)O15	620	0.000039439	1.626275356 Hartree
269	RY(8)O15	621	0.000030832	2.750255578 Hartree
270	RY(9)O15	622	0.000028318	1.192368403 Hartree
271	RY(10)O15	623	0.000015511	2.270774464 Hartree
272	RY(11)O15	624	0.000008819	2.489145429 Hartree
273	RY(12)O15	625	0.000004406	4.070811177 Hartree
274	RY(13)O15	626	0.000000843	5.479535007 Hartree
275	RY(14)O15	627	0.000000000	5.390630966 Hartree
276	RY(15)O15	628	0.000000100	36.168452493 Hartree
277	RY(16)O15	629	0.000000796	4.516852541 Hartree
278	RY(17)O15	630	0.000001115	2.278805479 Hartree
279	RY(18)O15	631	0.000000034	6.482431852 Hartree
280	RY(19)O15	632	0.000000000	6.344420781 Hartree
281	RY(20)O15	633	0.000000193	5.672855584 Hartree
282	RY(21)O15	634	0.000000096	14.126382935 Hartree
283	RY(22)O15	635	0.000000029	9.288489133 Hartree
284	RY(1)H16	636	0.001056812	1.821437824 Hartree
285	RY(2)H16	637	0.000716360	2.001633834 Hartree
286	RY(3)H16	638	0.000261924	2.042304552 Hartree
287	RY(4)H16	639	0.000114668	2.156345720 Hartree
288	RY(5)H16	640	0.000006771	2.307909944 Hartree
289	RY(1)H17	641	0.001183152	0.527688764 Hartree
290	RY(2)H17	642	0.000066585	2.107881249 Hartree
291	RY(3)H17	643	0.000042376	2.078672813 Hartree
292	RY(4)H17	644	0.000029512	2.736791076 Hartree
293	RY(5)H17	645	0.000011981	1.991180282 Hartree
294	RY(1)H18	646	0.000618558	0.675273430 Hartree
295	RY(2)H18	647	0.000084078	2.469378712 Hartree
296	RY(3)H18	648	0.000026676	2.124334415 Hartree
297	RY(4)H18	649	0.000027333	1.907895095 Hartree
298	RY(5)H18	650	0.000008154	2.181836949 Hartree
299	RY(1)H19	651	0.001183152	0.527688764 Hartree
300	RY(2)H19	652	0.000066585	2.107881249 Hartree
301	RY(3)H19	653	0.000042376	2.078672813 Hartree
302	RY(4)H19	654	0.000029512	2.736791076 Hartree
303	RY(5)H19	655	0.000011981	1.991180282 Hartree

Quote

THE ONLY EXISTING THINGS ARE ATOMS AND EMPTY SPACE; ALL ELSE IS MERE OPINION. -- DEMOCRITUS OF ABDERA D. 370 B.C. EXPERIMENTS ARE THE ONLY MEANS OF KNOWLEDGE AT OUR DISPOSAL THE REST IS POETRY, IMAGINATION. -- MAX PLANCK