WebMO Job Summary

153780: 3-​bromo-​4-​hydroxy-​5-​methoxy-benzaldehyde, Natural Bond Orbitals 6.0/NRT - Gaussian

Raw Output

Save Notes

Calculated Quantities

Expand all

Overview

Quantity	Value
Route	#N B3LYP/6-311+G(2d,p) SP GFINPUT POP=(FULL,NBO6Read) Geom=Connectivit
Stoichiometry	C8H7BrO3
Symmetry	CS
Basis	6-311+G(2d,p)
RB3LYP Energy	-3109.02552829 Hartree
Dipole Moment	6.1941 Debye
Server	batch (156229)
CPU time	2757.2 sec

Rotational Constants

Constant	Frequency (GHz)	Frequency (cm-1)
a	0.7737776	0.02581044250
b	0.5033274	0.01678919488
c	0.3055531	0.01019215433

Partial Charges

Atom	Symbol	Charge
1	C	-0.130235
2	O	-0.567236
3	C	0.179919
4	C	-0.421463
5	C	0.497286
6	C	-0.851983
7	C	1.072961
8	C	-0.202955
9	O	-0.427807
10	H	0.326249
11	Br	-0.007701
12	H	0.150962
13	C	0.179210
14	O	-0.406545
15	H	0.075860
16	H	0.096853
17	H	0.146768
18	H	0.144929
19	H	0.144929

Molecular Orbitals

Display Range		- / 392
Orbital	Symmetry	Occupancy	Energy	Actions
1	-	2	-482.82421 Hartree
2	-	2	-62.47832 Hartree
3	-	2	-56.29833 Hartree
4	-	2	-56.29427 Hartree
5	-	2	-56.29406 Hartree
6	-	2	-19.19442 Hartree
7	-	2	-19.18298 Hartree
8	-	2	-19.12435 Hartree
9	-	2	-10.27114 Hartree
10	-	2	-10.26558 Hartree
11	-	2	-10.26545 Hartree
12	-	2	-10.25498 Hartree
13	-	2	-10.24542 Hartree
14	-	2	-10.20749 Hartree
15	-	2	-10.20100 Hartree
16	-	2	-10.19980 Hartree
17	-	2	-8.69666 Hartree
18	-	2	-6.52814 Hartree
19	-	2	-6.51517 Hartree
20	-	2	-6.51453 Hartree
21	-	2	-2.63846 Hartree
22	-	2	-2.63472 Hartree
23	-	2	-2.63430 Hartree
24	-	2	-2.62393 Hartree
25	-	2	-2.62390 Hartree
26	-	2	-1.11710 Hartree
27	-	2	-1.08760 Hartree
28	-	2	-1.05451 Hartree
29	-	2	-0.89589 Hartree
30	-	2	-0.82717 Hartree
31	-	2	-0.79434 Hartree
32	-	2	-0.75244 Hartree
33	-	2	-0.73660 Hartree
34	-	2	-0.67861 Hartree
35	-	2	-0.63164 Hartree
36	-	2	-0.59618 Hartree
37	-	2	-0.58913 Hartree
38	-	2	-0.53573 Hartree
39	-	2	-0.53073 Hartree
40	-	2	-0.50750 Hartree
41	-	2	-0.50012 Hartree
42	-	2	-0.47059 Hartree
43	-	2	-0.45664 Hartree
44	-	2	-0.45211 Hartree
45	-	2	-0.44901 Hartree
46	-	2	-0.42374 Hartree
47	-	2	-0.41630 Hartree
48	-	2	-0.41364 Hartree
49	-	2	-0.38284 Hartree
50	-	2	-0.37861 Hartree
51	-	2	-0.37684 Hartree
52	-	2	-0.36110 Hartree
53	-	2	-0.31911 Hartree
54	-	2	-0.29675 Hartree
55	-	2	-0.26925 Hartree
56	-	2	-0.25953 Hartree
57	-	2	-0.24516 Hartree
58	-	0	-0.07583 Hartree
59	-	0	-0.03390 Hartree
60	-	0	-0.02374 Hartree
61	-	0	-0.01523 Hartree
62	-	0	-0.00639 Hartree
63	-	0	0.01231 Hartree
64	-	0	0.01645 Hartree
65	-	0	0.02196 Hartree
66	-	0	0.03259 Hartree
67	-	0	0.03438 Hartree
68	-	0	0.03936 Hartree
69	-	0	0.04963 Hartree
70	-	0	0.05187 Hartree
71	-	0	0.06186 Hartree
72	-	0	0.06519 Hartree
73	-	0	0.06798 Hartree
74	-	0	0.07631 Hartree
75	-	0	0.08970 Hartree
76	-	0	0.09096 Hartree
77	-	0	0.09804 Hartree
78	-	0	0.10216 Hartree
79	-	0	0.10856 Hartree
80	-	0	0.11398 Hartree
81	-	0	0.11728 Hartree
82	-	0	0.12520 Hartree
83	-	0	0.13581 Hartree
84	-	0	0.13761 Hartree
85	-	0	0.14743 Hartree
86	-	0	0.14992 Hartree
87	-	0	0.15144 Hartree
88	-	0	0.15266 Hartree
89	-	0	0.15850 Hartree
90	-	0	0.16458 Hartree
91	-	0	0.17173 Hartree
92	-	0	0.17751 Hartree
93	-	0	0.17763 Hartree
94	-	0	0.19097 Hartree
95	-	0	0.19350 Hartree
96	-	0	0.19785 Hartree
97	-	0	0.20138 Hartree
98	-	0	0.20753 Hartree
99	-	0	0.21790 Hartree
100	-	0	0.22451 Hartree
101	-	0	0.23214 Hartree
102	-	0	0.23616 Hartree
103	-	0	0.24093 Hartree
104	-	0	0.24618 Hartree
105	-	0	0.25138 Hartree
106	-	0	0.25995 Hartree
107	-	0	0.26431 Hartree
108	-	0	0.26997 Hartree
109	-	0	0.27301 Hartree
110	-	0	0.27652 Hartree
111	-	0	0.28739 Hartree
112	-	0	0.29698 Hartree
113	-	0	0.30548 Hartree
114	-	0	0.31114 Hartree
115	-	0	0.31559 Hartree
116	-	0	0.32120 Hartree
117	-	0	0.32698 Hartree
118	-	0	0.33949 Hartree
119	-	0	0.34055 Hartree
120	-	0	0.34106 Hartree
121	-	0	0.35713 Hartree
122	-	0	0.36010 Hartree
123	-	0	0.36315 Hartree
124	-	0	0.37898 Hartree
125	-	0	0.38334 Hartree
126	-	0	0.40348 Hartree
127	-	0	0.41576 Hartree
128	-	0	0.42637 Hartree
129	-	0	0.43220 Hartree
130	-	0	0.44530 Hartree
131	-	0	0.44574 Hartree
132	-	0	0.46147 Hartree
133	-	0	0.47347 Hartree
134	-	0	0.48162 Hartree
135	-	0	0.48879 Hartree
136	-	0	0.50316 Hartree
137	-	0	0.51048 Hartree
138	-	0	0.51896 Hartree
139	-	0	0.52543 Hartree
140	-	0	0.53010 Hartree
141	-	0	0.54906 Hartree
142	-	0	0.55009 Hartree
143	-	0	0.55960 Hartree
144	-	0	0.56568 Hartree
145	-	0	0.56986 Hartree
146	-	0	0.57387 Hartree
147	-	0	0.58755 Hartree
148	-	0	0.58899 Hartree
149	-	0	0.60419 Hartree
150	-	0	0.61849 Hartree
151	-	0	0.62722 Hartree
152	-	0	0.63397 Hartree
153	-	0	0.63410 Hartree
154	-	0	0.63702 Hartree
155	-	0	0.65208 Hartree
156	-	0	0.68090 Hartree
157	-	0	0.68807 Hartree
158	-	0	0.69691 Hartree
159	-	0	0.70098 Hartree
160	-	0	0.71861 Hartree
161	-	0	0.72552 Hartree
162	-	0	0.73022 Hartree
163	-	0	0.74018 Hartree
164	-	0	0.74483 Hartree
165	-	0	0.76599 Hartree
166	-	0	0.76714 Hartree
167	-	0	0.77450 Hartree
168	-	0	0.79008 Hartree
169	-	0	0.81575 Hartree
170	-	0	0.81943 Hartree
171	-	0	0.82143 Hartree
172	-	0	0.82782 Hartree
173	-	0	0.84835 Hartree
174	-	0	0.86978 Hartree
175	-	0	0.88291 Hartree
176	-	0	0.89109 Hartree
177	-	0	0.89967 Hartree
178	-	0	0.91624 Hartree
179	-	0	0.94041 Hartree
180	-	0	0.94677 Hartree
181	-	0	0.96766 Hartree
182	-	0	0.98175 Hartree
183	-	0	1.00855 Hartree
184	-	0	1.01490 Hartree
185	-	0	1.02341 Hartree
186	-	0	1.03791 Hartree
187	-	0	1.04117 Hartree
188	-	0	1.05723 Hartree
189	-	0	1.07493 Hartree
190	-	0	1.08632 Hartree
191	-	0	1.09922 Hartree
192	-	0	1.10258 Hartree
193	-	0	1.11722 Hartree
194	-	0	1.12373 Hartree
195	-	0	1.13694 Hartree
196	-	0	1.14166 Hartree
197	-	0	1.16159 Hartree
198	-	0	1.18970 Hartree
199	-	0	1.19558 Hartree
200	-	0	1.21176 Hartree
201	-	0	1.21210 Hartree
202	-	0	1.21954 Hartree
203	-	0	1.23908 Hartree
204	-	0	1.23913 Hartree
205	-	0	1.27860 Hartree
206	-	0	1.28816 Hartree
207	-	0	1.30099 Hartree
208	-	0	1.31792 Hartree
209	-	0	1.32137 Hartree
210	-	0	1.33718 Hartree
211	-	0	1.34697 Hartree
212	-	0	1.36669 Hartree
213	-	0	1.38749 Hartree
214	-	0	1.38907 Hartree
215	-	0	1.41288 Hartree
216	-	0	1.45885 Hartree
217	-	0	1.48553 Hartree
218	-	0	1.50555 Hartree
219	-	0	1.54416 Hartree
220	-	0	1.54941 Hartree
221	-	0	1.55202 Hartree
222	-	0	1.59934 Hartree
223	-	0	1.60968 Hartree
224	-	0	1.64133 Hartree
225	-	0	1.65628 Hartree
226	-	0	1.68077 Hartree
227	-	0	1.69358 Hartree
228	-	0	1.71686 Hartree
229	-	0	1.73558 Hartree
230	-	0	1.75422 Hartree
231	-	0	1.77614 Hartree
232	-	0	1.80349 Hartree
233	-	0	1.81873 Hartree
234	-	0	1.82040 Hartree
235	-	0	1.82418 Hartree
236	-	0	1.84826 Hartree
237	-	0	1.86324 Hartree
238	-	0	1.87806 Hartree
239	-	0	1.88986 Hartree
240	-	0	1.91507 Hartree
241	-	0	1.92426 Hartree
242	-	0	1.94224 Hartree
243	-	0	1.95325 Hartree
244	-	0	2.00045 Hartree
245	-	0	2.02010 Hartree
246	-	0	2.03499 Hartree
247	-	0	2.04701 Hartree
248	-	0	2.07815 Hartree
249	-	0	2.10288 Hartree
250	-	0	2.12173 Hartree
251	-	0	2.13742 Hartree
252	-	0	2.17330 Hartree
253	-	0	2.18463 Hartree
254	-	0	2.18995 Hartree
255	-	0	2.23673 Hartree
256	-	0	2.25883 Hartree
257	-	0	2.27839 Hartree
258	-	0	2.32359 Hartree
259	-	0	2.34335 Hartree
260	-	0	2.36155 Hartree
261	-	0	2.36675 Hartree
262	-	0	2.39846 Hartree
263	-	0	2.43118 Hartree
264	-	0	2.50015 Hartree
265	-	0	2.53322 Hartree
266	-	0	2.54086 Hartree
267	-	0	2.58555 Hartree
268	-	0	2.59837 Hartree
269	-	0	2.62491 Hartree
270	-	0	2.62570 Hartree
271	-	0	2.64258 Hartree
272	-	0	2.68597 Hartree
273	-	0	2.70118 Hartree
274	-	0	2.71822 Hartree
275	-	0	2.71948 Hartree
276	-	0	2.78590 Hartree
277	-	0	2.81959 Hartree
278	-	0	2.82177 Hartree
279	-	0	2.86546 Hartree
280	-	0	2.88040 Hartree
281	-	0	2.88378 Hartree
282	-	0	2.89859 Hartree
283	-	0	2.90143 Hartree
284	-	0	3.00888 Hartree
285	-	0	3.02939 Hartree
286	-	0	3.05753 Hartree
287	-	0	3.07526 Hartree
288	-	0	3.07724 Hartree
289	-	0	3.11751 Hartree
290	-	0	3.12901 Hartree
291	-	0	3.16067 Hartree
292	-	0	3.17421 Hartree
293	-	0	3.17762 Hartree
294	-	0	3.23248 Hartree
295	-	0	3.25724 Hartree
296	-	0	3.27762 Hartree
297	-	0	3.29131 Hartree
298	-	0	3.31319 Hartree
299	-	0	3.33380 Hartree
300	-	0	3.33578 Hartree
301	-	0	3.36274 Hartree
302	-	0	3.36412 Hartree
303	-	0	3.39398 Hartree
304	-	0	3.40889 Hartree
305	-	0	3.42739 Hartree
306	-	0	3.44157 Hartree
307	-	0	3.45500 Hartree
308	-	0	3.47391 Hartree
309	-	0	3.47977 Hartree
310	-	0	3.51665 Hartree
311	-	0	3.54346 Hartree
312	-	0	3.56041 Hartree
313	-	0	3.57844 Hartree
314	-	0	3.58700 Hartree
315	-	0	3.61027 Hartree
316	-	0	3.61146 Hartree
317	-	0	3.61524 Hartree
318	-	0	3.64282 Hartree
319	-	0	3.66887 Hartree
320	-	0	3.67967 Hartree
321	-	0	3.70325 Hartree
322	-	0	3.71330 Hartree
323	-	0	3.76068 Hartree
324	-	0	3.78414 Hartree
325	-	0	3.88118 Hartree
326	-	0	3.92821 Hartree
327	-	0	3.93651 Hartree
328	-	0	3.94363 Hartree
329	-	0	3.96861 Hartree
330	-	0	3.98138 Hartree
331	-	0	4.01252 Hartree
332	-	0	4.04134 Hartree
333	-	0	4.09513 Hartree
334	-	0	4.14411 Hartree
335	-	0	4.17852 Hartree
336	-	0	4.19489 Hartree
337	-	0	4.23569 Hartree
338	-	0	4.38814 Hartree
339	-	0	4.45782 Hartree
340	-	0	4.66292 Hartree
341	-	0	4.74478 Hartree
342	-	0	4.82347 Hartree
343	-	0	4.97334 Hartree
344	-	0	5.02994 Hartree
345	-	0	5.04032 Hartree
346	-	0	5.23001 Hartree
347	-	0	5.24217 Hartree
348	-	0	5.43219 Hartree
349	-	0	5.60017 Hartree
350	-	0	5.83576 Hartree
351	-	0	6.00723 Hartree
352	-	0	6.05024 Hartree
353	-	0	6.19257 Hartree
354	-	0	6.24860 Hartree
355	-	0	6.26253 Hartree
356	-	0	6.43223 Hartree
357	-	0	6.43858 Hartree
358	-	0	6.79009 Hartree
359	-	0	6.82168 Hartree
360	-	0	6.86335 Hartree
361	-	0	6.89781 Hartree
362	-	0	6.96910 Hartree
363	-	0	6.99981 Hartree
364	-	0	7.01054 Hartree
365	-	0	7.01284 Hartree
366	-	0	7.01793 Hartree
367	-	0	7.05823 Hartree
368	-	0	7.21699 Hartree
369	-	0	7.24973 Hartree
370	-	0	7.29111 Hartree
371	-	0	7.33744 Hartree
372	-	0	7.43767 Hartree
373	-	0	7.50662 Hartree
374	-	0	7.56937 Hartree
375	-	0	7.71137 Hartree
376	-	0	7.90769 Hartree
377	-	0	23.66545 Hartree
378	-	0	23.95521 Hartree
379	-	0	23.97165 Hartree
380	-	0	24.02931 Hartree
381	-	0	24.06573 Hartree
382	-	0	24.13146 Hartree
383	-	0	24.17163 Hartree
384	-	0	24.19112 Hartree
385	-	0	48.12818 Hartree
386	-	0	49.97446 Hartree
387	-	0	50.00117 Hartree
388	-	0	50.04412 Hartree
389	-	0	289.77601 Hartree
390	-	0	289.91548 Hartree
391	-	0	290.130021020.97218 Hartree
392	-	0	999.9 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom	Symbol	Charge
1	C	-0.20328
2	O	-0.57183
3	C	0.27399
4	C	-0.24211
5	C	-0.16481
6	C	-0.17946
7	C	-0.14151
8	C	0.28985
9	O	-0.65824
10	H	0.49746
11	Br	0.09857
12	H	0.24548
13	C	0.42485
14	O	-0.54200
15	H	0.10429
16	H	0.21711
17	H	0.19681
18	H	0.17740
19	H	0.17740

Natural Atomic Orbitals

Display Range		- / 392
Orbital	Description	Occupancy	Energy	Actions
1	C1 Cor(1s)	1.999984699	-10.254852810 Hartree
2	C1 Val(2s)	1.089997975	-0.235833832 Hartree
3	C1 Ryd(3s)	0.001937094	0.912810629 Hartree
4	C1 Ryd(4s)	0.000026984	8.839960191 Hartree
5	C1 Ryd(5s)	0.000009764	13.692225887 Hartree
6	C1 Val(2p)	1.200409277	-0.145014962 Hartree
7	C1 Ryd(3p)	0.002428505	0.844094663 Hartree
8	C1 Ryd(4p)	0.000130797	1.790012173 Hartree
9	C1 Ryd(5p)	0.000053601	1.741893201 Hartree
10	C1 Val(2p)	0.711699431	-0.094468738 Hartree
11	C1 Ryd(3p)	0.002848333	0.762586592 Hartree
12	C1 Ryd(4p)	0.000154295	2.076192411 Hartree
13	C1 Ryd(5p)	0.000075078	1.938278099 Hartree
14	C1 Val(2p)	1.186744218	-0.142545512 Hartree
15	C1 Ryd(3p)	0.000313489	0.652408176 Hartree
16	C1 Ryd(4p)	0.000073709	1.540240201 Hartree
17	C1 Ryd(5p)	0.000025718	1.652042164 Hartree
18	C1 Ryd(3d)	0.001055391	1.934726721 Hartree
19	C1 Ryd(4d)	0.000092461	2.862126111 Hartree
20	C1 Ryd(3d)	0.001115042	1.982334085 Hartree
21	C1 Ryd(4d)	0.000046268	2.723987996 Hartree
22	C1 Ryd(3d)	0.001264687	1.800016198 Hartree
23	C1 Ryd(4d)	0.000018056	2.562742020 Hartree
24	C1 Ryd(3d)	0.001566119	2.248818790 Hartree
25	C1 Ryd(4d)	0.000051011	2.970338250 Hartree
26	C1 Ryd(3d)	0.001124330	2.115273424 Hartree
27	C1 Ryd(4d)	0.000034240	2.905871460 Hartree
28	O2 Cor(1s)	1.999993398	-19.194333448 Hartree
29	O2 Val(2s)	1.594662841	-0.750358987 Hartree
30	O2 Ryd(3s)	0.001750861	2.081597740 Hartree
31	O2 Ryd(4s)	0.000120918	1.567391928 Hartree
32	O2 Ryd(5s)	0.000000299	48.691671643 Hartree
33	O2 Val(2p)	1.670104070	-0.359863131 Hartree
34	O2 Ryd(3p)	0.003529865	0.659401818 Hartree
35	O2 Ryd(4p)	0.000564001	0.944948791 Hartree
36	O2 Ryd(5p)	0.000019247	5.272856595 Hartree
37	O2 Val(2p)	1.425126735	-0.332871718 Hartree
38	O2 Ryd(3p)	0.001407467	1.692297842 Hartree
39	O2 Ryd(4p)	0.000482267	0.985888319 Hartree
40	O2 Ryd(5p)	0.000005753	4.856889273 Hartree
41	O2 Val(2p)	1.859544625	-0.353315734 Hartree
42	O2 Ryd(3p)	0.004951948	0.488080858 Hartree
43	O2 Ryd(4p)	0.000219350	0.860526546 Hartree
44	O2 Ryd(5p)	0.000001396	4.932631119 Hartree
45	O2 Ryd(3d)	0.002523301	2.178203948 Hartree
46	O2 Ryd(4d)	0.000044604	7.174321807 Hartree
47	O2 Ryd(3d)	0.001902580	1.758613855 Hartree
48	O2 Ryd(4d)	0.000015791	6.878343884 Hartree
49	O2 Ryd(3d)	0.000189741	1.788593981 Hartree
50	O2 Ryd(4d)	0.000041772	6.925636558 Hartree
51	O2 Ryd(3d)	0.002605902	2.266987566 Hartree
52	O2 Ryd(4d)	0.000048850	7.199295211 Hartree
53	O2 Ryd(3d)	0.001961749	1.925576654 Hartree
54	O2 Ryd(4d)	0.000006097	6.951363533 Hartree
55	C3 Cor(1s)	1.999984494	-10.265337871 Hartree
56	C3 Val(2s)	0.823109893	-0.095521318 Hartree
57	C3 Ryd(3s)	0.001060155	1.481013262 Hartree
58	C3 Ryd(4s)	0.000170108	5.253519345 Hartree
59	C3 Ryd(5s)	0.000024168	14.235367537 Hartree
60	C3 Val(2p)	0.897285253	-0.033767793 Hartree
61	C3 Ryd(3p)	0.006783585	1.423268766 Hartree
62	C3 Ryd(4p)	0.000304322	1.233698506 Hartree
63	C3 Ryd(5p)	0.000197178	3.256848019 Hartree
64	C3 Val(2p)	0.945582710	-0.054009323 Hartree
65	C3 Ryd(3p)	0.003596776	1.367036805 Hartree
66	C3 Ryd(4p)	0.000331942	1.182436154 Hartree
67	C3 Ryd(5p)	0.000200662	3.326798146 Hartree
68	C3 Val(2p)	1.040058150	-0.153638152 Hartree
69	C3 Ryd(3p)	0.000707053	0.590892830 Hartree
70	C3 Ryd(4p)	0.000289104	0.400193276 Hartree
71	C3 Ryd(5p)	0.000028425	2.646145685 Hartree
72	C3 Ryd(3d)	0.000991939	2.823567450 Hartree
73	C3 Ryd(4d)	0.000515976	3.679251447 Hartree
74	C3 Ryd(3d)	0.001171166	2.018532152 Hartree
75	C3 Ryd(4d)	0.000121808	2.610617220 Hartree
76	C3 Ryd(3d)	0.000938469	2.002688166 Hartree
77	C3 Ryd(4d)	0.000081020	2.548623315 Hartree
78	C3 Ryd(3d)	0.000985510	3.084949619 Hartree
79	C3 Ryd(4d)	0.000351788	3.824254918 Hartree
80	C3 Ryd(3d)	0.000893868	2.793586373 Hartree
81	C3 Ryd(4d)	0.000242464	3.256579695 Hartree
82	C4 Cor(1s)	1.999983768	-10.207362010 Hartree
83	C4 Val(2s)	0.940251298	-0.108579574 Hartree
84	C4 Ryd(3s)	0.000858493	2.697691747 Hartree
85	C4 Ryd(4s)	0.000081605	8.753329363 Hartree
86	C4 Ryd(5s)	0.000012794	10.541697639 Hartree
87	C4 Val(2p)	1.064732657	-0.046882043 Hartree
88	C4 Ryd(3p)	0.003230702	1.007025248 Hartree
89	C4 Ryd(4p)	0.000265623	1.324750318 Hartree
90	C4 Ryd(5p)	0.000122953	3.357703577 Hartree
91	C4 Val(2p)	1.180061291	-0.076525903 Hartree
92	C4 Ryd(3p)	0.003593880	1.567800884 Hartree
93	C4 Ryd(4p)	0.000572948	0.703073782 Hartree
94	C4 Ryd(5p)	0.000065534	3.569265441 Hartree
95	C4 Val(2p)	1.041356484	-0.144033894 Hartree
96	C4 Ryd(3p)	0.001575686	0.460690677 Hartree
97	C4 Ryd(4p)	0.000380763	0.414655476 Hartree
98	C4 Ryd(5p)	0.000005604	2.740700248 Hartree
99	C4 Ryd(3d)	0.000835395	2.536350528 Hartree
100	C4 Ryd(4d)	0.000223275	3.848149246 Hartree
101	C4 Ryd(3d)	0.000666179	1.457835999 Hartree
102	C4 Ryd(4d)	0.000037467	3.042174298 Hartree
103	C4 Ryd(3d)	0.000454963	1.407927149 Hartree
104	C4 Ryd(4d)	0.000058648	2.978600824 Hartree
105	C4 Ryd(3d)	0.000719949	2.574106452 Hartree
106	C4 Ryd(4d)	0.000413059	3.833851624 Hartree
107	C4 Ryd(3d)	0.001488673	2.146396701 Hartree
108	C4 Ryd(4d)	0.000064989	3.444007605 Hartree
109	C5 Cor(1s)	1.999985597	-10.200835058 Hartree
110	C5 Val(2s)	0.912697567	-0.088134789 Hartree
111	C5 Ryd(3s)	0.001066666	1.365207943 Hartree
112	C5 Ryd(4s)	0.000187764	9.117917820 Hartree
113	C5 Ryd(5s)	0.000010582	11.960127264 Hartree
114	C5 Val(2p)	1.081533776	-0.051755967 Hartree
115	C5 Ryd(3p)	0.006509782	1.387153422 Hartree
116	C5 Ryd(4p)	0.000310076	2.736638048 Hartree
117	C5 Ryd(5p)	0.000068302	3.726026554 Hartree
118	C5 Val(2p)	1.087032727	-0.036884810 Hartree
119	C5 Ryd(3p)	0.003526619	1.265676340 Hartree
120	C5 Ryd(4p)	0.000254295	1.500069364 Hartree
121	C5 Ryd(5p)	0.000102762	3.224894478 Hartree
122	C5 Val(2p)	1.066134092	-0.129764967 Hartree
123	C5 Ryd(3p)	0.000733767	0.524278657 Hartree
124	C5 Ryd(4p)	0.000161536	0.618931419 Hartree
125	C5 Ryd(5p)	0.000012816	2.549853226 Hartree
126	C5 Ryd(3d)	0.000671243	2.812797372 Hartree
127	C5 Ryd(4d)	0.000612305	3.790782765 Hartree
128	C5 Ryd(3d)	0.000408867	1.694870341 Hartree
129	C5 Ryd(4d)	0.000061398	2.911734664 Hartree
130	C5 Ryd(3d)	0.000428758	1.698068220 Hartree
131	C5 Ryd(4d)	0.000104067	2.933240306 Hartree
132	C5 Ryd(4d)	0.000461347	2.893266388 Hartree
133	C5 Ryd(3d)	0.000563915	3.797356462 Hartree
134	C5 Ryd(3d)	0.001029334	2.472638663 Hartree
135	C5 Ryd(4d)	0.000138120	3.382842573 Hartree
136	C6 Cor(1s)	1.999984642	-10.199760392 Hartree
137	C6 Val(2s)	0.941292078	-0.089757349 Hartree
138	C6 Ryd(3s)	0.001893223	1.326002475 Hartree
139	C6 Ryd(4s)	0.000116482	12.034237862 Hartree
140	C6 Ryd(5s)	0.000013200	8.369301780 Hartree
141	C6 Val(2p)	1.140552002	-0.064271135 Hartree
142	C6 Ryd(3p)	0.005039143	1.116952996 Hartree
143	C6 Ryd(4p)	0.000484793	1.478384066 Hartree
144	C6 Ryd(5p)	0.000054351	3.164010622 Hartree
145	C6 Val(2p)	1.118576965	-0.046599475 Hartree
146	C6 Ryd(3p)	0.006984413	1.120038343 Hartree
147	C6 Ryd(4p)	0.000193636	1.347078570 Hartree
148	C6 Ryd(5p)	0.000109169	3.225771285 Hartree
149	C6 Val(2p)	0.957410725	-0.125791442 Hartree
150	C6 Ryd(3p)	0.000927543	0.494935597 Hartree
151	C6 Ryd(4p)	0.000391842	0.562681886 Hartree
152	C6 Ryd(5p)	0.000010900	2.537893263 Hartree
153	C6 Ryd(3d)	0.000729860	2.302045262 Hartree
154	C6 Ryd(4d)	0.000458517	3.725591496 Hartree
155	C6 Ryd(3d)	0.000627528	1.464973340 Hartree
156	C6 Ryd(4d)	0.000075866	2.940873165 Hartree
157	C6 Ryd(3d)	0.000377119	1.481722004 Hartree
158	C6 Ryd(4d)	0.000098801	2.940889216 Hartree
159	C6 Ryd(3d)	0.001443962	2.309375494 Hartree
160	C6 Ryd(4d)	0.000115984	3.719617317 Hartree
161	C6 Ryd(3d)	0.001412731	1.943750896 Hartree
162	C6 Ryd(4d)	0.000083332	3.329007866 Hartree
163	C7 Cor(1s)	1.999985068	-10.245311222 Hartree
164	C7 Val(2s)	0.952737324	-0.164212594 Hartree
165	C7 Ryd(3s)	0.001108198	1.992977585 Hartree
166	C7 Ryd(4s)	0.000277576	5.300096436 Hartree
167	C7 Ryd(5s)	0.000013628	15.738345231 Hartree
168	C7 Val(2p)	1.071740152	-0.054074307 Hartree
169	C7 Ryd(3p)	0.005807223	0.858583903 Hartree
170	C7 Ryd(4p)	0.000098695	2.329020107 Hartree
171	C7 Ryd(5p)	0.000073458	3.227230320 Hartree
172	C7 Val(2p)	0.983535446	-0.127964133 Hartree
173	C7 Ryd(3p)	0.005492634	1.127706475 Hartree
174	C7 Ryd(4p)	0.000145752	1.751012264 Hartree
175	C7 Ryd(5p)	0.000122446	3.187129225 Hartree
176	C7 Val(2p)	1.108405141	-0.162169113 Hartree
177	C7 Ryd(3p)	0.001126239	0.546231613 Hartree
178	C7 Ryd(4p)	0.000200949	0.766429512 Hartree
179	C7 Ryd(5p)	0.000011385	2.470770341 Hartree
180	C7 Ryd(3d)	0.002089854	1.964849989 Hartree
181	C7 Ryd(4d)	0.000344559	3.844507717 Hartree
182	C7 Ryd(3d)	0.000483494	1.167443748 Hartree
183	C7 Ryd(4d)	0.000128780	3.326703940 Hartree
184	C7 Ryd(3d)	0.001824505	1.050407486 Hartree
185	C7 Ryd(4d)	0.000063637	3.328897110 Hartree
186	C7 Ryd(3d)	0.002080850	1.952871155 Hartree
187	C7 Ryd(4d)	0.000390366	3.809576116 Hartree
188	C7 Ryd(3d)	0.003069588	1.873832921 Hartree
189	C7 Ryd(4d)	0.000150397	3.574801820 Hartree
190	C8 Cor(1s)	1.999985437	-10.271015349 Hartree
191	C8 Val(2s)	0.824994212	-0.094790147 Hartree
192	C8 Ryd(3s)	0.001503870	1.217314049 Hartree
193	C8 Ryd(4s)	0.000242954	9.732700353 Hartree
194	C8 Ryd(5s)	0.000015420	8.475248394 Hartree
195	C8 Val(2p)	0.827171520	-0.050983661 Hartree
196	C8 Ryd(3p)	0.006644181	1.097484314 Hartree
197	C8 Ryd(4p)	0.000298259	1.006474207 Hartree
198	C8 Ryd(5p)	0.000182921	3.450365804 Hartree
199	C8 Val(2p)	1.058249336	-0.066580109 Hartree
200	C8 Ryd(3p)	0.005638030	1.325409935 Hartree
201	C8 Ryd(4p)	0.000353338	1.274191355 Hartree
202	C8 Ryd(5p)	0.000223671	3.026497571 Hartree
203	C8 Val(2p)	0.975854969	-0.149146513 Hartree
204	C8 Ryd(3p)	0.000651493	0.591627595 Hartree
205	C8 Ryd(4p)	0.000386481	0.577620625 Hartree
206	C8 Ryd(5p)	0.000036379	2.422798410 Hartree
207	C8 Ryd(3d)	0.001267832	2.531575214 Hartree
208	C8 Ryd(4d)	0.000473808	3.733731128 Hartree
209	C8 Ryd(3d)	0.002192914	1.760242530 Hartree
210	C8 Ryd(4d)	0.000125024	2.773521270 Hartree
211	C8 Ryd(3d)	0.000549102	1.717677284 Hartree
212	C8 Ryd(4d)	0.000084106	2.775694997 Hartree
213	C8 Ryd(3d)	0.001412946	2.602198095 Hartree
214	C8 Ryd(4d)	0.000355651	3.711578559 Hartree
215	C8 Ryd(3d)	0.001067846	2.411214446 Hartree
216	C8 Ryd(4d)	0.000183434	3.338171212 Hartree
217	O9 Cor(1s)	1.999993596	-19.182782061 Hartree
218	O9 Val(2s)	1.653515876	-0.760906919 Hartree
219	O9 Ryd(3s)	0.000154138	3.098339974 Hartree
220	O9 Ryd(4s)	0.000041867	2.411715315 Hartree
221	O9 Ryd(5s)	0.000000863	46.951468210 Hartree
222	O9 Val(2p)	1.430494076	-0.326121602 Hartree
223	O9 Ryd(3p)	0.001462499	0.575432231 Hartree
224	O9 Ryd(4p)	0.000321305	1.010412871 Hartree
225	O9 Ryd(5p)	0.000010847	5.575780802 Hartree
226	O9 Val(2p)	1.706813791	-0.346815625 Hartree
227	O9 Ryd(3p)	0.001612777	0.684298878 Hartree
228	O9 Ryd(4p)	0.000199959	1.118200506 Hartree
229	O9 Ryd(5p)	0.000015085	5.333857260 Hartree
230	O9 Val(2p)	1.845416225	-0.345439627 Hartree
231	O9 Ryd(3p)	0.003447251	0.415308804 Hartree
232	O9 Ryd(4p)	0.000044241	0.986492686 Hartree
233	O9 Ryd(5p)	0.000003853	4.926805522 Hartree
234	O9 Ryd(3d)	0.003828065	2.187379297 Hartree
235	O9 Ryd(4d)	0.000048505	7.056533703 Hartree
236	O9 Ryd(3d)	0.000778258	1.748366373 Hartree
237	O9 Ryd(4d)	0.000019231	6.891557605 Hartree
238	O9 Ryd(3d)	0.002910896	1.577998802 Hartree
239	O9 Ryd(4d)	0.000007661	6.777615521 Hartree
240	O9 Ryd(3d)	0.004291168	2.071786003 Hartree
241	O9 Ryd(4d)	0.000019725	7.119087536 Hartree
242	O9 Ryd(3d)	0.002778326	1.900540782 Hartree
243	O9 Ryd(4d)	0.000007545	6.911064472 Hartree
244	H10 Val(1s)	0.499448370	0.102745098 Hartree
245	H10 Ryd(2s)	0.001101808	1.743639026 Hartree
246	H10 Ryd(3s)	0.000160381	1.566687261 Hartree
247	H10 Ryd(2p)	0.000397847	2.388811791 Hartree
248	H10 Ryd(2p)	0.000526739	2.525945712 Hartree
249	H10 Ryd(2p)	0.000902457	1.753875274 Hartree
250	Br11 Cor(1s)	2.000000000	-481.642838401 Hartree
251	Br11 Cor(2s)	1.999999966	-62.117335987 Hartree
252	Br11 Cor(3s)	1.999992413	-10.238866917 Hartree
253	Br11 Val(4s)	1.870590004	-0.696242832 Hartree
254	Br11 Ryd(5s)	0.001692785	1.148984847 Hartree
255	Br11 Ryd(6s)	0.000019604	1.266873028 Hartree
256	Br11 Ryd(7s)	0.000007206	11.191857619 Hartree
257	Br11 Ryd(9s)	0.000000001	975.350735104 Hartree
258	Br11 Ryd(8s)	0.000000059	88.246933658 Hartree
259	Br11 Cor(2p)	1.999999851	-53.750518886 Hartree
260	Br11 Cor(3p)	1.999999654	-9.058660989 Hartree
261	Br11 Val(4p)	1.939357946	-0.289729956 Hartree
262	Br11 Ryd(5p)	0.001354785	0.511918244 Hartree
263	Br11 Ryd(6p)	0.000041678	0.559818188 Hartree
264	Br11 Ryd(7p)	0.000010652	2.387232231 Hartree
265	Br11 Ryd(8p)	0.000001306	12.024046085 Hartree
266	Br11 Ryd(9p)	0.000000001	284.472373300 Hartree
267	Br11 Cor(2p)	1.999999729	-53.754237478 Hartree
268	Br11 Cor(3p)	1.999999078	-9.071628152 Hartree
269	Br11 Val(4p)	1.143906850	-0.236279088 Hartree
270	Br11 Ryd(5p)	0.003331915	0.624193926 Hartree
271	Br11 Ryd(7p)	0.000017918	0.663153734 Hartree
272	Br11 Ryd(6p)	0.000024993	2.895418663 Hartree
273	Br11 Ryd(8p)	0.000003420	10.922007587 Hartree
274	Br11 Ryd(9p)	0.000000007	284.586463947 Hartree
275	Br11 Cor(2p)	1.999999951	-53.750568803 Hartree
276	Br11 Cor(3p)	1.999999787	-9.058836732 Hartree
277	Br11 Val(4p)	1.932207025	-0.293001691 Hartree
278	Br11 Ryd(5p)	0.001632677	0.438021601 Hartree
279	Br11 Ryd(6p)	0.000038162	0.309001374 Hartree
280	Br11 Ryd(7p)	0.000010883	2.250786489 Hartree
281	Br11 Ryd(8p)	0.000001571	12.353392451 Hartree
282	Br11 Ryd(9p)	0.000000002	284.459507956 Hartree
283	Br11 Cor(3d)	1.999925709	-2.634203852 Hartree
284	Br11 Ryd(4d)	0.000788738	1.146114451 Hartree
285	Br11 Ryd(5d)	0.000100388	2.298327384 Hartree
286	Br11 Ryd(6d)	0.000001715	6.080889895 Hartree
287	Br11 Cor(3d)	1.999989406	-2.624260096 Hartree
288	Br11 Ryd(4d)	0.000300330	0.557575432 Hartree
289	Br11 Ryd(5d)	0.000031084	1.723537559 Hartree
290	Br11 Ryd(6d)	0.000000390	6.092235614 Hartree
291	Br11 Cor(3d)	1.999971166	-2.634301309 Hartree
292	Br11 Ryd(4d)	0.002167853	0.688517555 Hartree
293	Br11 Ryd(5d)	0.000010004	1.896830943 Hartree
294	Br11 Ryd(6d)	0.000004503	6.084851952 Hartree
295	Br11 Cor(3d)	1.999919148	-2.634349251 Hartree
296	Br11 Ryd(4d)	0.002748073	1.417594097 Hartree
297	Br11 Ryd(5d)	0.000057187	2.245048698 Hartree
298	Br11 Ryd(6d)	0.000003425	6.042097166 Hartree
299	Br11 Cor(3d)	1.999946612	-2.627725768 Hartree
300	Br11 Ryd(4d)	0.001203825	0.887961477 Hartree
301	Br11 Ryd(5d)	0.000015064	1.950825125 Hartree
302	Br11 Ryd(6d)	0.000001518	6.087926889 Hartree
303	H12 Val(1s)	0.751745242	0.066809000 Hartree
304	H12 Ryd(2s)	0.001625003	0.773882706 Hartree
305	H12 Ryd(3s)	0.000260923	2.284872093 Hartree
306	H12 Ryd(2p)	0.000437958	2.456598619 Hartree
307	H12 Ryd(2p)	0.000323551	2.377754512 Hartree
308	H12 Ryd(2p)	0.000123054	1.805245870 Hartree
309	C13 Cor(1s)	1.999984562	-10.265469718 Hartree
310	C13 Val(2s)	0.911508722	-0.135482535 Hartree
311	C13 Ryd(3s)	0.009203987	0.901384866 Hartree
312	C13 Ryd(4s)	0.000115525	13.166584395 Hartree
313	C13 Ryd(5s)	0.000013275	3.731788988 Hartree
314	C13 Val(2p)	0.872910968	0.004343772 Hartree
315	C13 Ryd(3p)	0.010713858	1.148748070 Hartree
316	C13 Ryd(4p)	0.000179221	2.196380797 Hartree
317	C13 Ryd(5p)	0.000119134	3.022247614 Hartree
318	C13 Val(2p)	1.022594624	-0.054872650 Hartree
319	C13 Ryd(3p)	0.005708202	1.262169232 Hartree
320	C13 Ryd(4p)	0.000169767	2.154245319 Hartree
321	C13 Ryd(5p)	0.000062136	1.666784742 Hartree
322	C13 Val(2p)	0.734087512	-0.130346128 Hartree
323	C13 Ryd(3p)	0.000709099	0.720606409 Hartree
324	C13 Ryd(4p)	0.000283132	1.356031735 Hartree
325	C13 Ryd(5p)	0.000005415	1.390098457 Hartree
326	C13 Ryd(3d)	0.001360987	2.756444053 Hartree
327	C13 Ryd(4d)	0.000208637	3.067263668 Hartree
328	C13 Ryd(3d)	0.001329046	2.276672445 Hartree
329	C13 Ryd(4d)	0.000120391	2.241382547 Hartree
330	C13 Ryd(3d)	0.000395143	2.195392667 Hartree
331	C13 Ryd(4d)	0.000054712	2.077965449 Hartree
332	C13 Ryd(3d)	0.002509845	2.869050290 Hartree
333	C13 Ryd(4d)	0.000164960	3.076296727 Hartree
334	C13 Ryd(3d)	0.000526761	2.492139879 Hartree
335	C13 Ryd(4d)	0.000112041	2.693578114 Hartree
336	O14 Cor(1s)	1.999994824	-19.123610091 Hartree
337	O14 Val(2s)	1.704104402	-0.681322892 Hartree
338	O14 Ryd(3s)	0.001101659	2.552306450 Hartree
339	O14 Ryd(4s)	0.000060245	1.455703584 Hartree
340	O14 Ryd(5s)	0.000000332	47.716919076 Hartree
341	O14 Val(2p)	1.681293089	-0.280169189 Hartree
342	O14 Ryd(3p)	0.001922021	0.924766862 Hartree
343	O14 Ryd(4p)	0.000193262	1.125885136 Hartree
344	O14 Ryd(5p)	0.000018082	5.543294532 Hartree
345	O14 Val(2p)	1.766160819	-0.275298679 Hartree
346	O14 Ryd(3p)	0.002935618	0.635592564 Hartree
347	O14 Ryd(4p)	0.000085804	1.287221683 Hartree
348	O14 Ryd(5p)	0.000014602	5.224057364 Hartree
349	O14 Val(2p)	1.366298305	-0.257515221 Hartree
350	O14 Ryd(3p)	0.000948726	0.481186696 Hartree
351	O14 Ryd(4p)	0.000016332	1.068408222 Hartree
352	O14 Ryd(5p)	0.000007466	4.828169975 Hartree
353	O14 Ryd(3d)	0.005883208	2.115679989 Hartree
354	O14 Ryd(4d)	0.000011279	7.057426823 Hartree
355	O14 Ryd(3d)	0.002902342	1.742369559 Hartree
356	O14 Ryd(4d)	0.000004449	6.892513819 Hartree
357	O14 Ryd(3d)	0.001556560	1.672093740 Hartree
358	O14 Ryd(4d)	0.000006013	6.819253898 Hartree
359	O14 Ryd(3d)	0.004469522	1.972387101 Hartree
360	O14 Ryd(4d)	0.000054801	7.122168625 Hartree
361	O14 Ryd(3d)	0.001950924	1.822058802 Hartree
362	O14 Ryd(4d)	0.000001760	6.906794659 Hartree
363	H15 Val(1s)	0.891750927	-0.021602283 Hartree
364	H15 Ryd(2s)	0.002688183	0.495059544 Hartree
365	H15 Ryd(3s)	0.000087238	2.320326024 Hartree
366	H15 Ryd(2p)	0.000174855	2.092717185 Hartree
367	H15 Ryd(2p)	0.000935412	2.676544467 Hartree
368	H15 Ryd(2p)	0.000074053	1.735509152 Hartree
369	H16 Val(1s)	0.780050851	0.031584800 Hartree
370	H16 Ryd(2s)	0.001672242	0.833683882 Hartree
371	H16 Ryd(3s)	0.000218715	2.200259376 Hartree
372	H16 Ryd(2p)	0.000073181	2.246936960 Hartree
373	H16 Ryd(2p)	0.000679869	2.622934015 Hartree
374	H16 Ryd(2p)	0.000197182	1.801930489 Hartree
375	H17 Val(1s)	0.802204817	0.004946106 Hartree
376	H17 Ryd(2s)	0.000276549	0.470627641 Hartree
377	H17 Ryd(3s)	0.000023592	2.291110069 Hartree
378	H17 Ryd(2p)	0.000505016	2.483141799 Hartree
379	H17 Ryd(2p)	0.000120747	2.067149040 Hartree
380	H17 Ryd(2p)	0.000059601	1.812944624 Hartree
381	H18 Val(1s)	0.820585898	-0.007751452 Hartree
382	H18 Ryd(2s)	0.001307564	0.422666198 Hartree
383	H18 Ryd(3s)	0.000050656	2.316174104 Hartree
384	H18 Ryd(2p)	0.000165817	2.026144154 Hartree
385	H18 Ryd(2p)	0.000094505	2.035814237 Hartree
386	H18 Ryd(2p)	0.000391490	2.356825990 Hartree
387	H19 Val(1s)	0.820585898	-0.007751452 Hartree
388	H19 Ryd(2s)	0.001307564	0.422666198 Hartree
389	H19 Ryd(3s)	0.000050656	2.316174104 Hartree
390	H19 Ryd(2p)	0.000165817	2.026144154 Hartree
391	H19 Ryd(2p)	0.000094505	2.035814237 Hartree
392	H19 Ryd(2p)	0.000391490	2.356825990 Hartree

Natural Hybrid Orbitals

Display Range		- / 392
Orbital	Description	Occupancy	Energy	Actions
1	CR(1)C1 s(100.00%)	1.999984699	-10.254852810 Hartree
2	CR(1)O2 s(100.00%)	1.999993398	-19.194333448 Hartree
3	CR(1)C3 s(100.00%)	1.999984494	-10.265337871 Hartree
4	CR(1)C4 s(100.00%)	1.999983768	-10.207362010 Hartree
5	CR(1)C5 s(100.00%)	1.999985597	-10.200835058 Hartree
6	CR(1)C6 s(100.00%)	1.999984642	-10.199760392 Hartree
7	CR(1)C7 s(100.00%)	1.999985068	-10.245311222 Hartree
8	CR(1)C8 s(100.00%)	1.999985437	-10.271015349 Hartree
9	CR(1)O9 s(100.00%)	1.999993596	-19.182782061 Hartree
10	CR(1)Br11 s(100.00%)	2.000000000	-481.642838401 Hartree
11	CR(2)Br11 s(100.00%)	1.999999966	-62.117335987 Hartree
12	CR(3)Br11 s(100.00%)	1.999992413	-10.238866917 Hartree
13	CR(4)Br11 s(0.00%)p1.00(100.00%)	1.999999851	-53.750518886 Hartree
14	CR(5)Br11 s(0.00%)p1.00(100.00%)	1.999999654	-9.058660989 Hartree
15	CR(6)Br11 s(0.00%)p1.00(100.00%)	1.999999729	-53.754237478 Hartree
16	CR(7)Br11 s(0.00%)p1.00(100.00%)	1.999999078	-9.071628152 Hartree
17	CR(8)Br11 s(0.00%)p1.00(100.00%)	1.999999951	-53.750568803 Hartree
18	CR(9)Br11 s(0.00%)p1.00(100.00%)	1.999999787	-9.058836732 Hartree
19	CR(10)Br11 s(0.00%)p0.00(0.00%)d1.00(100.00%)	1.999925709	-2.634203852 Hartree
20	CR(11)Br11 s(0.00%)p0.00(0.00%)d1.00(100.00%)	1.999989406	-2.624260096 Hartree
21	CR(12)Br11 s(0.00%)p0.00(0.00%)d1.00(100.00%)	1.999971166	-2.634301309 Hartree
22	CR(13)Br11 s(0.00%)p0.00(0.00%)d1.00(100.00%)	1.999919148	-2.634349251 Hartree
23	CR(14)Br11 s(0.00%)p0.00(0.00%)d1.00(100.00%)	1.999946612	-2.627725768 Hartree
24	CR(1)C13 s(100.00%)	1.999984562	-10.265469718 Hartree
25	CR(1)O14 s(100.00%)	1.999994824	-19.123610091 Hartree
26	LP(1)O2 s(38.43%)p1.60(61.49%)d0.00(0.08%)	1.960102694	-0.531077190 Hartree
27	LP(2)O2 s(0.00%)p1.00(99.90%)d0.00(0.10%)	1.861634228	-0.354661162 Hartree
28	LP(1)O9 s(45.11%)p1.21(54.77%)d0.00(0.12%)	1.976924472	-0.548914028 Hartree
29	LP(2)O9 s(0.00%)p1.00(99.81%)d0.00(0.19%)	1.849548157	-0.348143972 Hartree
30	LP(1)Br11 s(87.49%)p0.14(12.51%)d0.00(0.01%)	1.994802000	-0.676234385 Hartree
31	LP(2)Br11 s(0.13%)p99.99(99.86%)d0.09(0.01%)	1.972719718	-0.293032785 Hartree
32	LP(3)Br11 s(0.00%)p1.00(99.98%)d0.00(0.02%)	1.933033595	-0.293141442 Hartree
33	LP(1)O14 s(58.86%)p0.70(41.06%)d0.00(0.08%)	1.985115501	-0.570191283 Hartree
34	LP(2)O14 s(0.02%)p99.99(99.74%)d9.82(0.23%)	1.876484026	-0.275051069 Hartree
35	BD(1)C1(O2) 1s(20.85%)p3.79(78.94%)d0.01(0.21%)	0.617952549	-0.069097175 Hartree
36	BD(1)O2(C1) 2s(28.77%)p2.47(71.04%)d0.01(0.18%)	1.382737651	-0.452873589 Hartree
37	BD(1)C1(H17) 1s(25.82%)p2.87(74.09%)d0.00(0.10%)	1.197190350	-0.170455427 Hartree
38	BD(1)H17(C1) 17s(99.93%)p0.00(0.07%)	0.802766563	0.005870291 Hartree
39	BD(1)C1(H18) 1s(26.73%)p2.74(73.16%)d0.00(0.10%)	1.191280839	-0.177517464 Hartree
40	BD(1)H18(C1) 18s(99.94%)p0.00(0.06%)	0.821056586	-0.005739976 Hartree
41	BD(1)C1(H19) 1s(26.73%)p2.74(73.16%)d0.00(0.10%)	1.191280839	-0.177517464 Hartree
42	BD(1)H19(C1) 19s(99.94%)p0.00(0.06%)	0.821056586	-0.005739976 Hartree
43	BD(1)O2(C3) 2s(32.80%)p2.04(67.01%)d0.01(0.20%)	1.356841153	-0.457002384 Hartree
44	BD(1)C3(O2) 3s(24.96%)p3.00(74.90%)d0.01(0.14%)	0.661420143	-0.044226530 Hartree
45	BD(1)C3(C4) 3s(40.14%)p1.49(59.79%)d0.00(0.07%)	1.013563146	-0.058582181 Hartree
46	BD(1)C4(C3) 4s(34.84%)p1.87(65.02%)d0.00(0.13%)	0.987669368	-0.038524850 Hartree
47	BD(2)C3(C4) 3s(0.00%)p1.00(99.95%)d0.00(0.05%)	1.040533989	-0.153453057 Hartree
48	BD(2)C4(C3) 4s(0.00%)p1.00(99.94%)d0.00(0.06%)	1.042305727	-0.144561205 Hartree
49	BD(1)C3(C8) 3s(34.62%)p1.89(65.29%)d0.00(0.08%)	0.995977454	-0.066329323 Hartree
50	BD(1)C8(C3) 8s(35.85%)p1.79(64.06%)d0.00(0.09%)	1.006515578	-0.074083959 Hartree
51	BD(1)C4(C5) 4s(36.35%)p1.75(63.54%)d0.00(0.11%)	0.990709475	-0.030158320 Hartree
52	BD(1)C5(C4) 5s(34.34%)p1.91(65.57%)d0.00(0.09%)	0.999579037	-0.037685676 Hartree
53	BD(1)C4(H16) 4s(28.66%)p2.49(71.29%)d0.00(0.05%)	1.211549212	-0.144666836 Hartree
54	BD(1)H16(C4) 16s(99.93%)p0.00(0.07%)	0.780641062	0.034769529 Hartree
55	BD(1)C5(C6) 5s(35.01%)p1.85(64.92%)d0.00(0.07%)	1.008611516	-0.034100264 Hartree
56	BD(1)C6(C5) 6s(35.49%)p1.81(64.38%)d0.00(0.13%)	0.980120231	-0.015729189 Hartree
57	BD(2)C5(C6) 5s(0.00%)p1.00(99.99%)d0.00(0.01%)	1.066353548	-0.130215273 Hartree
58	BD(2)C6(C5) 6s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.958103720	-0.125563916 Hartree
59	BD(1)C5(C13) 5s(30.54%)p2.27(69.40%)d0.00(0.06%)	1.076093828	-0.093793695 Hartree
60	BD(1)C13(C5) 13s(37.29%)p1.68(62.63%)d0.00(0.08%)	0.963574964	-0.063243545 Hartree
61	BD(1)C6(C7) 6s(35.68%)p1.80(64.19%)d0.00(0.13%)	0.987237442	-0.029703292 Hartree
62	BD(1)C7(C6) 7s(40.15%)p1.49(59.75%)d0.00(0.11%)	1.010745717	-0.046797143 Hartree
63	BD(1)C6(H12) 6s(28.74%)p2.48(71.21%)d0.00(0.05%)	1.240014081	-0.137134622 Hartree
64	BD(1)H12(C6) 12s(99.94%)p0.00(0.06%)	0.752258894	0.069587735 Hartree
65	BD(1)C7(C8) 7s(37.04%)p1.70(62.83%)d0.00(0.13%)	0.986798791	-0.055903604 Hartree
66	BD(1)C8(C7) 8s(37.92%)p1.64(62.02%)d0.00(0.07%)	1.023778803	-0.073562660 Hartree
67	BD(2)C7(C8) 7s(0.00%)p1.00(99.97%)d0.00(0.03%)	1.108481167	-0.161240943 Hartree
68	BD(2)C8(C7) 8s(0.00%)p1.00(99.91%)d0.00(0.09%)	0.976333808	-0.148500312 Hartree
69	BD(1)C7(Br11) 7s(22.57%)p3.41(77.05%)d0.02(0.38%)	1.018293470	-0.231231967 Hartree
70	BD(1)Br11(C7) 11s(12.50%)p6.97(87.09%)d0.03(0.41%)	0.995553073	-0.235461007 Hartree
71	BD(1)C8(O9) 8s(25.91%)p2.85(73.94%)d0.01(0.14%)	0.685848183	-0.052107253 Hartree
72	BD(1)O9(C8) 9s(33.65%)p1.96(66.10%)d0.01(0.25%)	1.325130269	-0.442867655 Hartree
73	BD(1)O9(H10) 9s(21.17%)p3.71(78.50%)d0.02(0.33%)	1.500909777	-0.442387509 Hartree
74	BD(1)H10(O9) 10s(99.91%)p0.00(0.09%)	0.499860598	0.112683235 Hartree
75	BD(1)C13(O14) 13s(32.98%)p2.03(66.88%)d0.00(0.14%)	0.694712485	0.077968199 Hartree
76	BD(1)O14(C13) 14s(41.12%)p1.42(58.40%)d0.01(0.48%)	1.303932991	-0.388093203 Hartree
77	BD(2)C13(O14) 13s(0.00%)p1.00(99.85%)d0.00(0.15%)	0.735250114	-0.129669464 Hartree
78	BD(2)O14(C13) 14s(0.00%)p1.00(99.68%)d0.00(0.32%)	1.370926765	-0.259083801 Hartree
79	BD(1)C13(H15) 13s(30.06%)p2.32(69.86%)d0.00(0.08%)	1.161477232	-0.157892839 Hartree
80	BD(1)H15(C13) 15s(99.91%)p0.00(0.09%)	0.892549281	-0.015818381 Hartree
81	RY(1)C1 s(25.55%)p2.09(53.50%)d0.82(20.95%)	0.002395298	1.274502107 Hartree
82	RY(2)C1 s(0.19%)p99.99(95.46%)d22.48(4.35%)	0.001389949	0.933273716 Hartree
83	RY(3)C1 s(0.00%)p1.00(17.13%)d4.84(82.87%)	0.001197952	1.482284385 Hartree
84	RY(4)C1 s(0.00%)p1.00(76.56%)d0.31(23.44%)	0.000199438	0.904602372 Hartree
85	RY(5)C1 s(3.26%)p12.09(39.44%)d17.56(57.29%)	0.000185008	2.305691033 Hartree
86	RY(6)C1 s(9.66%)p1.92(18.55%)d7.43(71.79%)	0.000106229	1.931829056 Hartree
87	RY(7)C1 s(0.00%)p1.00(20.38%)d3.91(79.62%)	0.000042590	1.317849242 Hartree
88	RY(8)C1 s(1.02%)p42.78(43.50%)d54.56(55.48%)	0.000035967	1.441984244 Hartree
89	RY(9)C1 s(44.20%)p0.49(21.72%)d0.77(34.08%)	0.000013220	1.704979073 Hartree
90	RY(10)C1 s(35.11%)p1.22(42.85%)d0.63(22.03%)	0.000008110	2.692978112 Hartree
91	RY(11)C1 s(21.68%)p1.70(36.94%)d1.91(41.38%)	0.000004580	1.449145198 Hartree
92	RY(12)C1 s(0.00%)p1.00(82.45%)d0.21(17.55%)	0.000003758	2.655714087 Hartree
93	RY(13)C1 s(34.78%)p0.84(29.22%)d1.04(36.00%)	0.000004101	5.680291634 Hartree
94	RY(14)C1 s(37.81%)p0.86(32.43%)d0.79(29.76%)	0.000002382	5.567048306 Hartree
95	RY(15)C1 s(8.04%)p8.36(67.21%)d3.08(24.75%)	0.000001678	1.110061724 Hartree
96	RY(16)C1 s(0.00%)p1.00(78.12%)d0.28(21.88%)	0.000000285	1.069899141 Hartree
97	RY(17)C1 s(0.00%)p1.00(3.88%)d24.80(96.12%)	0.000000001	3.369804178 Hartree
98	RY(18)C1 s(0.00%)p1.00(21.61%)d3.63(78.39%)	0.000000038	2.110335262 Hartree
99	RY(19)C1 s(15.15%)p1.92(29.04%)d3.68(55.80%)	0.000000308	5.657526023 Hartree
100	RY(20)C1 s(7.96%)p5.39(42.90%)d6.17(49.14%)	0.000000234	4.686738489 Hartree
101	RY(21)C1 s(55.12%)p0.60(33.32%)d0.21(11.56%)	0.000000143	7.930943423 Hartree
102	RY(22)C1 s(0.32%)p44.47(14.42%)d99.99(85.25%)	0.000000027	3.248223123 Hartree
103	RY(1)O2 s(0.00%)p1.00(98.24%)d0.02(1.76%)	0.004961900	0.529956115 Hartree
104	RY(2)O2 s(9.88%)p8.74(86.38%)d0.38(3.74%)	0.003563290	0.813281711 Hartree
105	RY(3)O2 s(14.07%)p4.96(69.78%)d1.15(16.15%)	0.000870832	1.371138249 Hartree
106	RY(4)O2 s(24.80%)p2.75(68.14%)d0.29(7.07%)	0.000342683	1.652371773 Hartree
107	RY(5)O2 s(32.80%)p0.86(28.13%)d1.19(39.07%)	0.000229679	2.294498955 Hartree
108	RY(6)O2 s(0.00%)p1.00(0.68%)d99.99(99.32%)	0.000149186	3.444898904 Hartree
109	RY(7)O2 s(6.41%)p12.95(83.01%)d1.65(10.58%)	0.000143144	1.837207522 Hartree
110	RY(8)O2 s(0.00%)p1.00(73.51%)d0.36(26.49%)	0.000105284	1.295587270 Hartree
111	RY(9)O2 s(3.40%)p3.43(11.65%)d24.99(84.95%)	0.000063740	2.495796417 Hartree
112	RY(10)O2 s(19.82%)p1.18(23.37%)d2.87(56.81%)	0.000037810	2.125934063 Hartree
113	RY(11)O2 s(74.47%)p0.20(14.90%)d0.14(10.63%)	0.000018840	1.564236096 Hartree
114	RY(12)O2 s(0.00%)p1.00(21.94%)d3.56(78.06%)	0.000015689	1.499851191 Hartree
115	RY(13)O2 s(3.18%)p6.95(22.13%)d23.45(74.68%)	0.000006587	2.602386451 Hartree
116	RY(14)O2 s(1.86%)p17.53(32.61%)d35.23(65.53%)	0.000003286	5.356547126 Hartree
117	RY(15)O2 s(3.46%)p19.46(67.40%)d8.42(29.14%)	0.000001283	6.150960662 Hartree
118	RY(16)O2 s(2.30%)p37.86(87.20%)d4.56(10.49%)	0.000001778	5.261357179 Hartree
119	RY(17)O2 s(8.20%)p0.38(3.09%)d10.82(88.71%)	0.000000291	7.424570846 Hartree
120	RY(18)O2 s(66.23%)p0.02(1.16%)d0.49(32.61%)	0.000000020	34.960180455 Hartree
121	RY(19)O2 s(0.00%)p1.00(14.23%)d6.03(85.77%)	0.000000003	6.339143084 Hartree
122	RY(20)O2 s(0.00%)p1.00(7.01%)d13.26(92.99%)	0.000000888	5.353096586 Hartree
123	RY(21)O2 s(0.00%)p1.00(84.49%)d0.18(15.51%)	0.000000025	5.171239078 Hartree
124	RY(22)O2 s(29.12%)p0.05(1.51%)d2.38(69.37%)	0.000000069	18.536084490 Hartree
125	RY(1)C3 s(1.29%)p72.79(94.11%)d3.55(4.59%)	0.005602279	1.482112039 Hartree
126	RY(2)C3 s(0.39%)p99.99(89.96%)d24.43(9.65%)	0.003289766	1.683437836 Hartree
127	RY(3)C3 s(0.00%)p1.00(2.01%)d48.83(97.99%)	0.001492200	1.873500782 Hartree
128	RY(4)C3 s(50.07%)p0.23(11.58%)d0.77(38.35%)	0.001261354	1.669092786 Hartree
129	RY(5)C3 s(0.00%)p1.00(41.75%)d1.40(58.25%)	0.000937615	1.339406752 Hartree
130	RY(6)C3 s(12.61%)p1.69(21.30%)d5.24(66.09%)	0.000493046	3.043595154 Hartree
131	RY(7)C3 s(8.41%)p6.02(50.63%)d4.87(40.96%)	0.000302047	2.427483590 Hartree
132	RY(8)C3 s(0.00%)p1.00(66.11%)d0.51(33.89%)	0.000290527	1.049573364 Hartree
133	RY(9)C3 s(16.63%)p0.81(13.55%)d4.20(69.82%)	0.000255582	4.275813328 Hartree
134	RY(10)C3 s(32.69%)p1.86(60.96%)d0.19(6.36%)	0.000158519	2.978089402 Hartree
135	RY(11)C3 s(30.86%)p0.56(17.29%)d1.68(51.85%)	0.000112780	3.003463177 Hartree
136	RY(12)C3 s(0.00%)p1.00(20.80%)d3.81(79.20%)	0.000094499	1.725594083 Hartree
137	RY(13)C3 s(12.03%)p2.81(33.79%)d4.50(54.17%)	0.000073609	3.125168233 Hartree
138	RY(14)C3 s(4.23%)p7.59(32.09%)d15.07(63.68%)	0.000044131	3.556055847 Hartree
139	RY(15)C3 s(0.00%)p1.00(22.83%)d3.38(77.17%)	0.000042497	2.244693326 Hartree
140	RY(16)C3 s(4.73%)p15.73(74.35%)d4.42(20.92%)	0.000033974	3.393754713 Hartree
141	RY(17)C3 s(64.40%)p0.13(8.25%)d0.42(27.35%)	0.000018408	11.149219788 Hartree
142	RY(18)C3 s(27.48%)p1.76(48.48%)d0.87(24.03%)	0.000015726	2.638242331 Hartree
143	RY(19)C3 s(27.51%)p1.30(35.71%)d1.34(36.78%)	0.000004597	4.201788466 Hartree
144	RY(20)C3 s(0.00%)p1.00(47.23%)d1.12(52.77%)	0.000003248	1.789583063 Hartree
145	RY(21)C3 s(6.94%)p1.15(7.96%)d12.26(85.10%)	0.000001736	3.580698951 Hartree
146	RY(22)C3 s(0.00%)p1.00(99.31%)d0.01(0.69%)	0.000000619	2.795156178 Hartree
147	RY(1)C4 s(0.68%)p99.99(93.33%)d8.88(6.00%)	0.004250186	1.503622360 Hartree
148	RY(2)C4 s(4.27%)p21.61(92.25%)d0.82(3.48%)	0.001919520	1.215240027 Hartree
149	RY(3)C4 s(0.00%)p1.00(91.82%)d0.09(8.18%)	0.001261760	0.414333211 Hartree
150	RY(4)C4 s(0.00%)p1.00(1.33%)d73.95(98.67%)	0.000769607	1.756375987 Hartree
151	RY(5)C4 s(23.06%)p1.00(23.14%)d2.33(53.80%)	0.000453505	2.987993102 Hartree
152	RY(6)C4 s(2.24%)p36.46(81.58%)d7.23(16.18%)	0.000276808	1.525609359 Hartree
153	RY(7)C4 s(7.29%)p9.33(68.07%)d3.38(24.64%)	0.000233412	2.251006276 Hartree
154	RY(8)C4 s(24.57%)p1.46(35.87%)d1.61(39.55%)	0.000221045	2.493983165 Hartree
155	RY(9)C4 s(0.00%)p1.00(14.02%)d6.13(85.98%)	0.000167201	1.085154482 Hartree
156	RY(10)C4 s(34.76%)p0.35(12.33%)d1.52(52.91%)	0.000121202	5.719842114 Hartree
157	RY(11)C4 s(26.18%)p0.94(24.59%)d1.88(49.23%)	0.000086518	2.245969494 Hartree
158	RY(12)C4 s(13.84%)p2.04(28.23%)d4.19(57.93%)	0.000041624	2.274678455 Hartree
159	RY(13)C4 s(24.26%)p1.83(44.35%)d1.29(31.39%)	0.000030554	5.415883589 Hartree
160	RY(14)C4 s(0.00%)p1.00(85.01%)d0.18(14.99%)	0.000019388	0.840198835 Hartree
161	RY(15)C4 s(36.54%)p0.33(11.89%)d1.41(51.56%)	0.000013742	5.346948307 Hartree
162	RY(16)C4 s(0.00%)p1.00(9.23%)d9.84(90.77%)	0.000011869	2.347729407 Hartree
163	RY(17)C4 s(3.58%)p18.31(65.47%)d8.66(30.96%)	0.000009182	3.509033356 Hartree
164	RY(18)C4 s(30.47%)p0.21(6.55%)d2.07(62.98%)	0.000003802	5.230501599 Hartree
165	RY(19)C4 s(60.64%)p0.07(4.24%)d0.58(35.12%)	0.000004247	5.448268587 Hartree
166	RY(20)C4 s(7.75%)p1.07(8.26%)d10.83(83.99%)	0.000001715	4.717982852 Hartree
167	RY(21)C4 s(0.00%)p1.00(27.16%)d2.68(72.84%)	0.000000042	3.112907173 Hartree
168	RY(22)C4 s(0.00%)p1.00(71.48%)d0.40(28.52%)	0.000000200	2.946412888 Hartree
169	RY(1)C5 s(2.45%)p37.56(91.90%)d2.31(5.66%)	0.006872536	1.349048596 Hartree
170	RY(2)C5 s(0.75%)p99.99(92.06%)d9.55(7.19%)	0.003421490	1.592949901 Hartree
171	RY(3)C5 s(81.31%)p0.07(5.97%)d0.16(12.72%)	0.000873975	1.273187712 Hartree
172	RY(4)C5 s(0.00%)p1.00(61.22%)d0.63(38.78%)	0.000769407	1.250696968 Hartree
173	RY(5)C5 s(0.00%)p1.00(23.07%)d3.33(76.93%)	0.000538871	1.690128289 Hartree
174	RY(6)C5 s(3.96%)p11.30(44.75%)d12.95(51.29%)	0.000400560	3.660033656 Hartree
175	RY(7)C5 s(0.00%)p1.00(10.95%)d8.13(89.05%)	0.000357588	1.541441402 Hartree
176	RY(8)C5 s(7.92%)p4.12(32.66%)d7.50(59.41%)	0.000335179	3.309234938 Hartree
177	RY(9)C5 s(1.41%)p40.82(57.36%)d29.34(41.23%)	0.000204941	2.864462567 Hartree
178	RY(10)C5 s(10.08%)p0.96(9.68%)d7.96(80.24%)	0.000165057	4.528207977 Hartree
179	RY(11)C5 s(54.97%)p0.62(34.15%)d0.20(10.88%)	0.000096891	4.436676739 Hartree
180	RY(12)C5 s(6.50%)p3.93(25.56%)d10.46(67.94%)	0.000057892	3.455726463 Hartree
181	RY(13)C5 s(12.51%)p5.07(63.40%)d1.93(24.10%)	0.000037794	1.995469955 Hartree
182	RY(14)C5 s(0.00%)p1.00(23.99%)d3.17(76.01%)	0.000019542	2.287124853 Hartree
183	RY(15)C5 s(21.49%)p1.43(30.64%)d2.23(47.87%)	0.000009956	3.318513451 Hartree
184	RY(16)C5 s(9.35%)p4.39(41.07%)d5.30(49.58%)	0.000007317	4.211277263 Hartree
185	RY(17)C5 s(9.85%)p6.23(61.41%)d2.92(28.74%)	0.000004444	3.464117911 Hartree
186	RY(18)C5 s(0.00%)p1.00(24.40%)d3.10(75.60%)	0.000005220	1.862509568 Hartree
187	RY(19)C5 s(25.02%)p0.25(6.25%)d2.75(68.73%)	0.000003156	7.569193393 Hartree
188	RY(20)C5 s(52.56%)p0.06(3.23%)d0.84(44.21%)	0.000001616	8.394099003 Hartree
189	RY(21)C5 s(0.00%)p1.00(64.69%)d0.55(35.31%)	0.000001086	1.477356883 Hartree
190	RY(22)C5 s(0.00%)p1.00(91.68%)d0.09(8.32%)	0.000000038	2.822169176 Hartree
191	RY(1)C6 s(4.22%)p21.37(90.30%)d1.29(5.47%)	0.006056231	1.189938339 Hartree
192	RY(2)C6 s(0.52%)p99.99(98.22%)d2.40(1.25%)	0.004232258	0.919813287 Hartree
193	RY(3)C6 s(0.00%)p1.00(84.32%)d0.19(15.68%)	0.000965191	0.474706956 Hartree
194	RY(4)C6 s(1.14%)p30.66(34.80%)d56.43(64.06%)	0.000573382	2.457668390 Hartree
195	RY(5)C6 s(0.00%)p1.00(4.63%)d20.59(95.37%)	0.000549556	2.335727206 Hartree
196	RY(6)C6 s(77.01%)p0.13(10.26%)d0.17(12.73%)	0.000505952	1.501880375 Hartree
197	RY(7)C6 s(21.28%)p1.54(32.76%)d2.16(45.96%)	0.000284426	3.669682206 Hartree
198	RY(8)C6 s(0.00%)p1.00(30.25%)d2.31(69.75%)	0.000278896	0.990049053 Hartree
199	RY(9)C6 s(11.39%)p5.20(59.27%)d2.58(29.34%)	0.000260085	3.590811265 Hartree
200	RY(10)C6 s(2.52%)p11.13(28.01%)d27.62(69.48%)	0.000146666	2.027869901 Hartree
201	RY(11)C6 s(14.31%)p3.63(52.00%)d2.35(33.69%)	0.000053346	3.468514621 Hartree
202	RY(12)C6 s(39.97%)p1.01(40.27%)d0.49(19.76%)	0.000033422	7.135012452 Hartree
203	RY(13)C6 s(13.58%)p2.54(34.46%)d3.83(51.96%)	0.000022200	2.222706375 Hartree
204	RY(14)C6 s(0.00%)p1.00(19.03%)d4.25(80.97%)	0.000019884	1.295054002 Hartree
205	RY(15)C6 s(26.45%)p1.78(47.07%)d1.00(26.48%)	0.000006842	3.337467841 Hartree
206	RY(16)C6 s(0.00%)p1.00(59.67%)d0.68(40.33%)	0.000002781	1.199354588 Hartree
207	RY(17)C6 s(13.27%)p1.03(13.70%)d5.50(73.03%)	0.000003532	4.693122319 Hartree
208	RY(18)C6 s(0.00%)p1.00(82.81%)d0.21(17.19%)	0.000000032	2.933813537 Hartree
209	RY(19)C6 s(0.00%)p1.00(19.35%)d4.17(80.65%)	0.000000264	3.195035604 Hartree
210	RY(20)C6 s(34.09%)p0.38(12.82%)d1.56(53.09%)	0.000001117	5.776798342 Hartree
211	RY(21)C6 s(20.77%)p1.96(40.68%)d1.86(38.55%)	0.000000860	5.273115091 Hartree
212	RY(22)C6 s(19.58%)p0.29(5.58%)d3.82(74.84%)	0.000001770	3.228704670 Hartree
213	RY(1)C7 s(0.02%)p99.99(91.83%)d99.99(8.15%)	0.006390412	0.945113211 Hartree
214	RY(2)C7 s(0.07%)p99.99(89.56%)d99.99(10.37%)	0.005109606	0.940462119 Hartree
215	RY(3)C7 s(0.00%)p1.00(33.56%)d1.98(66.44%)	0.002679608	0.849222580 Hartree
216	RY(4)C7 s(10.95%)p0.98(10.71%)d7.16(78.35%)	0.000754409	2.333980806 Hartree
217	RY(5)C7 s(0.00%)p1.00(14.91%)d5.71(85.09%)	0.000734587	1.656666050 Hartree
218	RY(6)C7 s(47.95%)p0.06(2.90%)d1.03(49.16%)	0.000549848	1.607856832 Hartree
219	RY(7)C7 s(0.00%)p1.00(53.98%)d0.85(46.02%)	0.000312064	0.835583306 Hartree
220	RY(8)C7 s(25.22%)p1.72(43.43%)d1.24(31.35%)	0.000207197	3.635505060 Hartree
221	RY(9)C7 s(0.64%)p23.60(15.11%)d99.99(84.25%)	0.000158335	3.098730401 Hartree
222	RY(10)C7 s(33.14%)p0.69(22.95%)d1.32(43.91%)	0.000092964	2.176379120 Hartree
223	RY(11)C7 s(38.12%)p0.35(13.44%)d1.27(48.44%)	0.000076530	5.685892919 Hartree
224	RY(12)C7 s(15.53%)p4.24(65.82%)d1.20(18.65%)	0.000035268	1.571485236 Hartree
225	RY(13)C7 s(0.00%)p1.00(77.09%)d0.30(22.91%)	0.000026749	1.330234735 Hartree
226	RY(14)C7 s(7.03%)p8.97(63.07%)d4.26(29.90%)	0.000023419	3.428988711 Hartree
227	RY(15)C7 s(17.03%)p3.25(55.44%)d1.62(27.53%)	0.000013804	4.501337513 Hartree
228	RY(16)C7 s(22.78%)p2.80(63.69%)d0.59(13.53%)	0.000012122	2.158956042 Hartree
229	RY(17)C7 s(0.00%)p1.00(4.54%)d21.03(95.46%)	0.000009333	2.684070322 Hartree
230	RY(18)C7 s(32.77%)p1.17(38.21%)d0.89(29.03%)	0.000007895	7.831079314 Hartree
231	RY(19)C7 s(28.76%)p0.79(22.73%)d1.69(48.51%)	0.000005200	6.262545438 Hartree
232	RY(20)C7 s(20.23%)p0.07(1.51%)d3.87(78.27%)	0.000003157	6.341910222 Hartree
233	RY(21)C7 s(0.00%)p1.00(45.33%)d1.21(54.67%)	0.000000061	3.024800457 Hartree
234	RY(22)C7 s(0.00%)p1.00(70.62%)d0.42(29.38%)	0.000000560	2.275378129 Hartree
235	RY(1)C8 s(3.95%)p23.67(93.61%)d0.62(2.44%)	0.006962610	1.115268576 Hartree
236	RY(2)C8 s(1.64%)p56.13(92.23%)d3.73(6.13%)	0.003319996	1.367704207 Hartree
237	RY(3)C8 s(0.00%)p1.00(6.67%)d14.00(93.33%)	0.002331610	1.551534721 Hartree
238	RY(4)C8 s(24.02%)p0.54(12.96%)d2.62(63.01%)	0.001504867	2.078065606 Hartree
239	RY(5)C8 s(0.00%)p1.00(39.08%)d1.56(60.92%)	0.000774555	1.519041867 Hartree
240	RY(6)C8 s(13.23%)p0.80(10.59%)d5.76(76.18%)	0.000738011	2.346847588 Hartree
241	RY(7)C8 s(32.20%)p1.21(39.10%)d0.89(28.70%)	0.000624474	1.672628026 Hartree
242	RY(8)C8 s(26.29%)p1.12(29.49%)d1.68(44.22%)	0.000467405	5.029432594 Hartree
243	RY(9)C8 s(0.00%)p1.00(63.99%)d0.56(36.01%)	0.000339007	1.031853388 Hartree
244	RY(10)C8 s(31.52%)p0.81(25.53%)d1.36(42.94%)	0.000225515	5.282243014 Hartree
245	RY(11)C8 s(18.11%)p1.89(34.21%)d2.63(47.68%)	0.000173229	2.576551172 Hartree
246	RY(12)C8 s(0.00%)p1.00(19.00%)d4.26(81.00%)	0.000072081	2.536754231 Hartree
247	RY(13)C8 s(11.18%)p6.85(76.52%)d1.10(12.31%)	0.000068337	3.113136015 Hartree
248	RY(14)C8 s(0.00%)p1.00(32.78%)d2.05(67.22%)	0.000027189	1.510951394 Hartree
249	RY(15)C8 s(7.81%)p9.11(71.11%)d2.70(21.08%)	0.000021079	1.835059573 Hartree
250	RY(16)C8 s(0.43%)p99.99(69.66%)d69.63(29.91%)	0.000016350	3.439393051 Hartree
251	RY(17)C8 s(79.12%)p0.02(1.90%)d0.24(18.99%)	0.000005538	9.039429637 Hartree
252	RY(18)C8 s(43.28%)p0.20(8.87%)d1.11(47.85%)	0.000006247	1.922450410 Hartree
253	RY(19)C8 s(0.00%)p1.00(40.19%)d1.49(59.81%)	0.000002031	1.889578652 Hartree
254	RY(20)C8 s(1.65%)p12.40(20.46%)d47.19(77.89%)	0.000001256	3.687749362 Hartree
255	RY(21)C8 s(5.88%)p2.34(13.76%)d13.66(80.36%)	0.000001752	4.415595759 Hartree
256	RY(22)C8 s(0.00%)p1.00(98.38%)d0.02(1.62%)	0.000000185	2.578822259 Hartree
257	RY(1)O9 s(0.00%)p1.00(95.63%)d0.05(4.37%)	0.002986620	0.520134872 Hartree
258	RY(2)O9 s(0.81%)p99.99(95.37%)d4.72(3.82%)	0.001734971	0.779253209 Hartree
259	RY(3)O9 s(2.97%)p28.85(85.71%)d3.81(11.32%)	0.000429906	0.718075964 Hartree
260	RY(4)O9 s(15.42%)p2.92(45.06%)d2.56(39.52%)	0.000179151	1.581767787 Hartree
261	RY(5)O9 s(47.13%)p0.09(4.46%)d1.03(48.41%)	0.000108332	3.854448959 Hartree
262	RY(6)O9 s(2.18%)p24.67(53.83%)d20.16(43.98%)	0.000075792	1.841964154 Hartree
263	RY(7)O9 s(7.31%)p7.12(52.07%)d5.55(40.62%)	0.000067885	2.025410683 Hartree
264	RY(8)O9 s(0.00%)p1.00(13.77%)d6.26(86.23%)	0.000066556	1.582534854 Hartree
265	RY(9)O9 s(40.86%)p0.33(13.62%)d1.11(45.52%)	0.000024980	2.441646578 Hartree
266	RY(10)O9 s(0.00%)p1.00(61.48%)d0.63(38.52%)	0.000024461	1.379101138 Hartree
267	RY(11)O9 s(12.88%)p4.24(54.58%)d2.53(32.54%)	0.000017554	2.462670048 Hartree
268	RY(12)O9 s(49.45%)p0.33(16.35%)d0.69(34.20%)	0.000007222	2.499861436 Hartree
269	RY(13)O9 s(14.22%)p3.76(53.49%)d2.27(32.29%)	0.000003774	4.184363144 Hartree
270	RY(14)O9 s(4.27%)p7.36(31.44%)d15.04(64.28%)	0.000001151	5.989151898 Hartree
271	RY(15)O9 s(0.00%)p1.00(71.06%)d0.41(28.94%)	0.000000055	5.318488459 Hartree
272	RY(16)O9 s(8.29%)p8.32(68.96%)d2.75(22.76%)	0.000000798	7.097565175 Hartree
273	RY(17)O9 s(0.00%)p1.00(27.59%)d2.62(72.41%)	0.000001359	3.403623923 Hartree
274	RY(18)O9 s(0.00%)p1.00(12.45%)d7.03(87.55%)	0.000000404	4.835605569 Hartree
275	RY(19)O9 s(90.08%)p0.06(5.57%)d0.05(4.36%)	0.000000085	43.988845397 Hartree
276	RY(20)O9 s(0.00%)p1.00(18.21%)d4.49(81.79%)	0.000000003	6.287360842 Hartree
277	RY(21)O9 s(1.21%)p14.19(17.22%)d67.21(81.56%)	0.000000270	6.725193419 Hartree
278	RY(22)O9 s(2.97%)p0.98(2.90%)d31.66(94.13%)	0.000000026	7.816005035 Hartree
279	RY(1)H10 s(88.28%)p0.13(11.72%)	0.001236428	1.701385095 Hartree
280	RY(2)H10 s(0.00%)p1.00(100.00%)	0.000902457	1.753875274 Hartree
281	RY(3)H10 s(16.51%)p5.06(83.49%)	0.000352861	2.051650263 Hartree
282	RY(4)H10 s(72.77%)p0.37(27.23%)	0.000176836	2.090550141 Hartree
283	RY(5)H10 s(22.53%)p3.44(77.47%)	0.000008423	2.371560154 Hartree
284	RY(1)Br11 s(0.00%)p1.00(35.04%)d1.85(64.96%)	0.003177196	0.523622626 Hartree
285	RY(2)Br11 s(0.66%)p99.99(77.19%)d33.60(22.15%)	0.001138340	0.806788260 Hartree
286	RY(3)Br11 s(14.68%)p3.84(56.35%)d1.97(28.96%)	0.000687397	0.700390746 Hartree
287	RY(4)Br11 s(17.85%)p0.90(16.08%)d3.70(66.07%)	0.000190990	0.674576309 Hartree
288	RY(5)Br11 s(0.00%)p1.00(6.04%)d15.55(93.96%)	0.000129479	0.408476875 Hartree
289	RY(6)Br11 s(8.39%)p0.94(7.89%)d9.98(83.72%)	0.000054832	1.413013788 Hartree
290	RY(7)Br11 s(29.89%)p0.74(21.97%)d1.61(48.14%)	0.000042553	2.263225587 Hartree
291	RY(8)Br11 s(15.79%)p2.15(33.98%)d3.18(50.22%)	0.000038331	1.628699308 Hartree
292	RY(9)Br11 s(0.00%)p1.00(64.96%)d0.54(35.04%)	0.000038924	0.638788600 Hartree
293	RY(10)Br11 s(0.00%)p1.00(72.22%)d0.38(27.78%)	0.000020320	0.601679412 Hartree
294	RY(11)Br11 s(15.04%)p4.35(65.48%)d1.30(19.48%)	0.000014140	3.829131384 Hartree
295	RY(12)Br11 s(9.54%)p4.69(44.75%)d4.79(45.71%)	0.000012922	1.851313970 Hartree
296	RY(13)Br11 s(55.62%)p0.15(8.32%)d0.65(36.06%)	0.000008095	1.108346140 Hartree
297	RY(14)Br11 s(10.89%)p6.40(69.63%)d1.79(19.48%)	0.000006958	1.832450055 Hartree
298	RY(15)Br11 s(1.60%)p28.76(46.10%)d32.63(52.30%)	0.000005249	2.512651278 Hartree
299	RY(16)Br11 s(0.00%)p1.00(45.07%)d1.22(54.93%)	0.000002156	2.778470312 Hartree
300	RY(17)Br11 s(28.90%)p1.95(56.28%)d0.51(14.82%)	0.000001785	3.958298781 Hartree
301	RY(18)Br11 s(0.00%)p1.00(16.20%)d5.17(83.80%)	0.000002301	2.392622949 Hartree
302	RY(19)Br11 s(8.43%)p4.55(38.34%)d6.31(53.23%)	0.000001270	3.313083171 Hartree
303	RY(20)Br11 s(23.75%)p1.63(38.77%)d1.58(37.48%)	0.000002089	4.956066503 Hartree
304	RY(21)Br11 s(6.63%)p11.89(78.85%)d2.19(14.52%)	0.000000113	9.084197996 Hartree
305	RY(22)Br11 s(16.97%)p4.89(82.96%)d0.00(0.07%)	0.000000001	260.665614065 Hartree
306	RY(23)Br11 s(39.37%)p0.31(12.40%)d1.23(48.23%)	0.000000005	66.942503332 Hartree
307	RY(24)Br11 s(0.00%)p1.00(71.10%)d0.41(28.90%)	0.000000001	6.959738779 Hartree
308	RY(25)Br11 s(0.00%)p1.00(99.88%)d0.00(0.12%)	0.000000000	287.635531196 Hartree
309	RY(26)Br11 s(1.56%)p6.88(10.77%)d56.03(87.66%)	0.000000193	6.267955858 Hartree
310	RY(27)Br11 s(0.00%)p1.00(2.69%)d36.20(97.31%)	0.000000003	5.968173740 Hartree
311	RY(28)Br11 s(3.24%)p14.71(47.73%)d15.11(49.02%)	0.000000045	9.124460030 Hartree
312	RY(29)Br11 s(0.00%)p1.00(57.64%)d0.73(42.36%)	0.000000339	3.537921838 Hartree
313	RY(30)Br11 s(0.00%)p1.00(29.17%)d2.43(70.83%)	0.000000168	5.409372349 Hartree
314	RY(31)Br11 s(0.01%)p1.00(99.72%)d0.00(0.27%)	0.000000000	285.390324337 Hartree
315	RY(32)Br11 s(99.71%)p0.00(0.23%)d0.00(0.07%)	0.000000000	967.507393403 Hartree
316	RY(33)Br11 s(29.76%)p1.01(29.95%)d1.35(40.29%)	0.000000304	9.176544580 Hartree
317	RY(34)Br11 s(19.32%)p2.45(47.28%)d1.73(33.40%)	0.000000654	3.786162217 Hartree
318	RY(35)Br11 s(42.29%)p0.22(9.50%)d1.14(48.20%)	0.000000007	56.198080543 Hartree
319	RY(1)H12 s(98.53%)p0.01(1.47%)	0.001654754	0.797485789 Hartree
320	RY(2)H12 s(67.55%)p0.48(32.45%)	0.000363963	2.633606162 Hartree
321	RY(3)H12 s(0.00%)p1.00(100.00%)	0.000123054	1.805245870 Hartree
322	RY(4)H12 s(3.01%)p32.20(96.99%)	0.000063437	2.197936646 Hartree
323	RY(5)H12 s(30.97%)p2.23(69.03%)	0.000051629	2.261300598 Hartree
324	RY(1)C13 s(17.61%)p4.64(81.77%)d0.03(0.62%)	0.011448195	1.115971484 Hartree
325	RY(2)C13 s(39.76%)p0.31(12.50%)d1.20(47.74%)	0.004272729	1.807111653 Hartree
326	RY(3)C13 s(6.66%)p11.24(74.82%)d2.78(18.52%)	0.002009369	1.302687150 Hartree
327	RY(4)C13 s(0.00%)p1.00(0.18%)d99.99(99.82%)	0.001441024	1.715204174 Hartree
328	RY(5)C13 s(27.30%)p1.23(33.61%)d1.43(39.08%)	0.000277936	2.332547188 Hartree
329	RY(6)C13 s(0.00%)p1.00(86.05%)d0.16(13.95%)	0.000221740	0.586426689 Hartree
330	RY(7)C13 s(8.15%)p4.15(33.79%)d7.12(58.05%)	0.000219629	3.438805936 Hartree
331	RY(8)C13 s(0.02%)p99.99(4.28%)d99.99(95.71%)	0.000134175	2.015967028 Hartree
332	RY(9)C13 s(0.00%)p1.00(16.12%)d5.20(83.88%)	0.000068252	1.045350453 Hartree
333	RY(10)C13 s(30.78%)p1.08(33.14%)d1.17(36.07%)	0.000019639	1.971688631 Hartree
334	RY(11)C13 s(41.92%)p0.78(32.60%)d0.61(25.48%)	0.000012787	4.867750931 Hartree
335	RY(12)C13 s(20.09%)p2.84(56.95%)d1.14(22.96%)	0.000007980	5.283008901 Hartree
336	RY(13)C13 s(18.05%)p3.20(57.69%)d1.34(24.26%)	0.000004782	2.415064344 Hartree
337	RY(14)C13 s(31.13%)p1.58(49.03%)d0.64(19.83%)	0.000005340	7.399779259 Hartree
338	RY(15)C13 s(0.00%)p1.00(93.43%)d0.07(6.57%)	0.000002920	0.435357328 Hartree
339	RY(16)C13 s(20.24%)p0.27(5.54%)d3.67(74.22%)	0.000002978	3.617791615 Hartree
340	RY(17)C13 s(1.88%)p6.02(11.31%)d46.17(86.81%)	0.000000504	3.080930827 Hartree
341	RY(18)C13 s(12.44%)p4.83(60.12%)d2.20(27.43%)	0.000000750	1.558890579 Hartree
342	RY(19)C13 s(0.00%)p1.00(12.73%)d6.86(87.27%)	0.000000358	2.626899183 Hartree
343	RY(20)C13 s(23.64%)p2.26(53.45%)d0.97(22.91%)	0.000001175	3.954268003 Hartree
344	RY(21)C13 s(0.00%)p1.00(14.54%)d5.88(85.46%)	0.000000012	3.166954485 Hartree
345	RY(22)C13 s(0.00%)p1.00(77.09%)d0.30(22.91%)	0.000000030	2.681280733 Hartree
346	RY(1)O14 s(0.13%)p99.99(98.49%)d11.00(1.38%)	0.004038123	0.794597415 Hartree
347	RY(2)O14 s(0.00%)p1.00(95.73%)d0.04(4.27%)	0.000789145	0.630995237 Hartree
348	RY(3)O14 s(46.83%)p1.11(51.91%)d0.03(1.26%)	0.000576208	1.168714416 Hartree
349	RY(4)O14 s(10.35%)p0.98(10.18%)d7.68(79.47%)	0.000062076	2.465091897 Hartree
350	RY(5)O14 s(25.49%)p1.18(30.05%)d1.74(44.46%)	0.000023470	1.747258138 Hartree
351	RY(6)O14 s(0.00%)p1.00(51.41%)d0.95(48.59%)	0.000019278	1.236645621 Hartree
352	RY(7)O14 s(19.28%)p2.01(38.83%)d2.17(41.88%)	0.000011129	1.659665553 Hartree
353	RY(8)O14 s(13.06%)p3.99(52.14%)d2.67(34.80%)	0.000007979	2.181504936 Hartree
354	RY(9)O14 s(4.36%)p21.70(94.67%)d0.22(0.97%)	0.000004423	3.449181366 Hartree
355	RY(10)O14 s(0.00%)p1.00(49.84%)d1.01(50.16%)	0.000004946	1.344058543 Hartree
356	RY(11)O14 s(66.38%)p0.23(15.58%)d0.27(18.04%)	0.000002752	2.201277822 Hartree
357	RY(12)O14 s(6.71%)p12.04(80.79%)d1.86(12.50%)	0.000000223	5.238082328 Hartree
358	RY(13)O14 s(0.00%)p1.00(97.10%)d0.03(2.90%)	0.000000013	4.913393349 Hartree
359	RY(14)O14 s(5.35%)p15.62(83.60%)d2.06(11.05%)	0.000000880	4.106264318 Hartree
360	RY(15)O14 s(4.46%)p5.20(23.19%)d16.23(72.36%)	0.000001412	2.118967903 Hartree
361	RY(16)O14 s(3.73%)p4.55(16.99%)d21.23(79.28%)	0.000000024	7.851548653 Hartree
362	RY(17)O14 s(0.00%)p1.00(1.16%)d85.01(98.84%)	0.000000000	6.648526319 Hartree
363	RY(18)O14 s(0.00%)p1.00(4.74%)d20.09(95.26%)	0.000000043	2.011938029 Hartree
364	RY(19)O14 s(0.00%)p1.00(0.33%)d99.99(99.67%)	0.000000000	6.720007392 Hartree
365	RY(20)O14 s(70.02%)p0.02(1.24%)d0.41(28.73%)	0.000000139	34.932603345 Hartree
366	RY(21)O14 s(22.71%)p0.12(2.83%)d3.28(74.46%)	0.000000067	16.414251174 Hartree
367	RY(22)O14 s(1.14%)p0.27(0.30%)d86.82(98.56%)	0.000000005	7.129798781 Hartree
368	RY(1)H15 s(97.92%)p0.02(2.08%)	0.002841938	0.531398924 Hartree
369	RY(2)H15 s(34.59%)p1.89(65.41%)	0.000131212	2.581474719 Hartree
370	RY(3)H15 s(0.00%)p1.00(100.00%)	0.000074053	1.735509152 Hartree
371	RY(4)H15 s(55.92%)p0.79(44.08%)	0.000070385	2.179747992 Hartree
372	RY(5)H15 s(11.66%)p7.58(88.34%)	0.000043800	2.286241684 Hartree
373	RY(1)H16 s(99.96%)p0.00(0.04%)	0.001682456	0.833731142 Hartree
374	RY(2)H16 s(71.75%)p0.39(28.25%)	0.000289217	2.530886451 Hartree
375	RY(3)H16 s(0.00%)p1.00(100.00%)	0.000197182	1.801930489 Hartree
376	RY(4)H16 s(20.95%)p3.77(79.05%)	0.000048575	2.276789391 Hartree
377	RY(5)H16 s(7.42%)p12.48(92.58%)	0.000033548	2.259222520 Hartree
378	RY(1)H17 s(98.50%)p0.02(1.50%)	0.000280102	0.526078588 Hartree
379	RY(2)H17 s(0.00%)p1.00(100.00%)	0.000059601	1.812944624 Hartree
380	RY(3)H17 s(3.36%)p28.74(96.64%)	0.000057668	2.254964102 Hartree
381	RY(4)H17 s(97.83%)p0.02(2.17%)	0.000023016	2.350675545 Hartree
382	RY(5)H17 s(0.38%)p99.99(99.62%)	0.000003373	2.179386128 Hartree
383	RY(1)H18 s(99.45%)p0.01(0.55%)	0.001326370	0.430276606 Hartree
384	RY(2)H18 s(32.70%)p2.06(67.30%)	0.000091092	2.054495090 Hartree
385	RY(3)H18 s(7.54%)p12.27(92.46%)	0.000068561	2.235810417 Hartree
386	RY(4)H18 s(30.04%)p2.33(69.96%)	0.000038082	2.247992171 Hartree
387	RY(5)H18 s(30.33%)p2.30(69.67%)	0.000015240	2.187038923 Hartree
388	RY(1)H19 s(99.45%)p0.01(0.55%)	0.001326370	0.430276606 Hartree
389	RY(2)H19 s(32.70%)p2.06(67.30%)	0.000091092	2.054495090 Hartree
390	RY(3)H19 s(7.54%)p12.27(92.46%)	0.000068561	2.235810417 Hartree
391	RY(4)H19 s(30.04%)p2.33(69.96%)	0.000038082	2.247992171 Hartree
392	RY(5)H19 s(30.33%)p2.30(69.67%)	0.000015240	2.187038923 Hartree

Natural Bond Orbitals

Display Range		- / 392
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	CR(1)C1	346	1.999984699	-10.254852810 Hartree
2	CR(1)O2	347	1.999993398	-19.194333448 Hartree
3	CR(1)C3	348	1.999984494	-10.265337871 Hartree
4	CR(1)C4	349	1.999983768	-10.207362010 Hartree
5	CR(1)C5	350	1.999985597	-10.200835058 Hartree
6	CR(1)C6	351	1.999984642	-10.199760392 Hartree
7	CR(1)C7	352	1.999985068	-10.245311222 Hartree
8	CR(1)C8	353	1.999985437	-10.271015349 Hartree
9	CR(1)O9	354	1.999993596	-19.182782061 Hartree
10	CR(1)Br11	355	2.000000000	-481.642838401 Hartree
11	CR(2)Br11	356	1.999999966	-62.117335987 Hartree
12	CR(3)Br11	357	1.999992413	-10.238866917 Hartree
13	CR(4)Br11	358	1.999999851	-53.750518886 Hartree
14	CR(5)Br11	359	1.999999654	-9.058660989 Hartree
15	CR(6)Br11	360	1.999999729	-53.754237478 Hartree
16	CR(7)Br11	361	1.999999078	-9.071628152 Hartree
17	CR(8)Br11	362	1.999999951	-53.750568803 Hartree
18	CR(9)Br11	363	1.999999787	-9.058836732 Hartree
19	CR(10)Br11	364	1.999925709	-2.634203852 Hartree
20	CR(11)Br11	365	1.999989406	-2.624260096 Hartree
21	CR(12)Br11	366	1.999971166	-2.634301309 Hartree
22	CR(13)Br11	367	1.999919148	-2.634349251 Hartree
23	CR(14)Br11	368	1.999946612	-2.627725768 Hartree
24	CR(1)C13	369	1.999984562	-10.265469718 Hartree
25	CR(1)O14	370	1.999994824	-19.123610091 Hartree
26	LP(1)O2	371	1.960102694	-0.531077190 Hartree
27	LP(2)O2	372	1.861634228	-0.354661162 Hartree
28	LP(1)O9	373	1.976924472	-0.548914028 Hartree
29	LP(2)O9	374	1.849548157	-0.348143972 Hartree
30	LP(1)Br11	375	1.994802000	-0.676234385 Hartree
31	LP(2)Br11	376	1.972719718	-0.293032785 Hartree
32	LP(3)Br11	377	1.933033595	-0.293141442 Hartree
33	LP(1)O14	378	1.985115501	-0.570191283 Hartree
34	LP(2)O14	379	1.876484026	-0.275051069 Hartree
35	BD(1)C1-O2	380, 381	1.991721304	-0.768236408 Hartree
36	BD(1)C1-H17	382, 383	1.991762215	-0.528348799 Hartree
37	BD(1)C1-H18	384, 385	1.994782852	-0.530987994 Hartree
38	BD(1)C1-H19	386, 387	1.994782852	-0.530987994 Hartree
39	BD(1)O2-C3	388, 389	1.990714869	-0.826453584 Hartree
40	BD(1)C3-C4	390, 391	1.977837310	-0.647032928 Hartree
41	BD(2)C3-C4	392, 393	1.705554835	-0.295334219 Hartree
42	BD(1)C3-C8	394, 395	1.965032909	-0.645037640 Hartree
43	BD(1)C4-C5	396, 397	1.970632240	-0.614307224 Hartree
44	BD(1)C4-H16	398, 399	1.975962165	-0.518499412 Hartree
45	BD(1)C5-C6	400, 401	1.964172146	-0.610030568 Hartree
46	BD(2)C5-C6	402, 403	1.639545827	-0.269222710 Hartree
47	BD(1)C5-C13	404, 405	1.980144906	-0.597030596 Hartree
48	BD(1)C6-C7	406, 407	1.978589123	-0.639901877 Hartree
49	BD(1)C6-H12	408, 409	1.976564179	-0.495112204 Hartree
50	BD(1)C7-C8	410, 411	1.976002665	-0.656346854 Hartree
51	BD(2)C7-C8	412, 413	1.650800233	-0.296640739 Hartree
52	BD(1)C7-Br11	414, 415	1.981864400	-0.553698842 Hartree
53	BD(1)C8-O9	416, 417	1.992905587	-0.840974956 Hartree
54	BD(1)O9-H10	418, 419	1.986999602	-0.713643556 Hartree
55	BD(1)C13-O14	420, 421	1.995587004	-0.919109506 Hartree
56	BD(2)C13-O14	422, 423	1.980779262	-0.388923808 Hartree
57	BD(1)C13-H15	424, 425	1.985668470	-0.514298515 Hartree
58	BD*(1)C1-O2		0.008968896	0.246265644 Hartree
59	BD*(1)C1-H17		0.008194699	0.363763664 Hartree
60	BD*(1)C1-H18		0.017554573	0.347730554 Hartree
61	BD*(1)C1-H19		0.017554573	0.347730554 Hartree
62	BD*(1)O2-C3		0.027546428	0.325224671 Hartree
63	BD*(1)C3-C4		0.023395203	0.549925896 Hartree
64	BD*(2)C3-C4		0.377284881	-0.002680043 Hartree
65	BD*(1)C3-C8		0.037460123	0.504624358 Hartree
66	BD*(1)C4-C5		0.019656271	0.546463228 Hartree
67	BD*(1)C4-H16		0.016228109	0.408602105 Hartree
68	BD*(1)C5-C6		0.024559601	0.560201114 Hartree
69	BD*(2)C5-C6		0.384911440	0.013443521 Hartree
70	BD*(1)C5-C13		0.059523887	0.439993356 Hartree
71	BD*(1)C6-C7		0.019394036	0.563401442 Hartree
72	BD*(1)C6-H12		0.015708796	0.427565317 Hartree
73	BD*(1)C7-C8		0.034574928	0.526880590 Hartree
74	BD*(2)C7-C8		0.434014742	-0.013100517 Hartree
75	BD*(1)C7-Br11		0.031982143	0.087005868 Hartree
76	BD*(1)C8-O9		0.018072865	0.346000048 Hartree
77	BD*(1)O9-H10		0.013770772	0.383939283 Hartree
78	BD*(1)C13-O14		0.003058471	0.608984501 Hartree
79	BD*(2)C13-O14		0.125397617	0.000170544 Hartree
80	BD*(1)C13-H15		0.068358043	0.340587295 Hartree
81	RY(1)C1	426	0.002395298	1.274502107 Hartree
82	RY(2)C1	427	0.001389949	0.933273716 Hartree
83	RY(3)C1	428	0.001197952	1.482284385 Hartree
84	RY(4)C1	429	0.000199438	0.904602372 Hartree
85	RY(5)C1	430	0.000185008	2.305691033 Hartree
86	RY(6)C1	431	0.000106229	1.931829056 Hartree
87	RY(7)C1	432	0.000042590	1.317849242 Hartree
88	RY(8)C1	433	0.000035967	1.441984244 Hartree
89	RY(9)C1	434	0.000013220	1.704979073 Hartree
90	RY(10)C1	435	0.000008110	2.692978112 Hartree
91	RY(11)C1	436	0.000004580	1.449145198 Hartree
92	RY(12)C1	437	0.000003758	2.655714087 Hartree
93	RY(13)C1	438	0.000004101	5.680291634 Hartree
94	RY(14)C1	439	0.000002382	5.567048306 Hartree
95	RY(15)C1	440	0.000001678	1.110061724 Hartree
96	RY(16)C1	441	0.000000285	1.069899141 Hartree
97	RY(17)C1	442	0.000000001	3.369804178 Hartree
98	RY(18)C1	443	0.000000038	2.110335262 Hartree
99	RY(19)C1	444	0.000000308	5.657526023 Hartree
100	RY(20)C1	445	0.000000234	4.686738489 Hartree
101	RY(21)C1	446	0.000000143	7.930943423 Hartree
102	RY(22)C1	447	0.000000027	3.248223123 Hartree
103	RY(1)O2	448	0.004961900	0.529956115 Hartree
104	RY(2)O2	449	0.003563290	0.813281711 Hartree
105	RY(3)O2	450	0.000870832	1.371138249 Hartree
106	RY(4)O2	451	0.000342683	1.652371773 Hartree
107	RY(5)O2	452	0.000229679	2.294498955 Hartree
108	RY(6)O2	453	0.000149186	3.444898904 Hartree
109	RY(7)O2	454	0.000143144	1.837207522 Hartree
110	RY(8)O2	455	0.000105284	1.295587270 Hartree
111	RY(9)O2	456	0.000063740	2.495796417 Hartree
112	RY(10)O2	457	0.000037810	2.125934063 Hartree
113	RY(11)O2	458	0.000018840	1.564236096 Hartree
114	RY(12)O2	459	0.000015689	1.499851191 Hartree
115	RY(13)O2	460	0.000006587	2.602386451 Hartree
116	RY(14)O2	461	0.000003286	5.356547126 Hartree
117	RY(15)O2	462	0.000001283	6.150960662 Hartree
118	RY(16)O2	463	0.000001778	5.261357179 Hartree
119	RY(17)O2	464	0.000000291	7.424570846 Hartree
120	RY(18)O2	465	0.000000020	34.960180455 Hartree
121	RY(19)O2	466	0.000000003	6.339143084 Hartree
122	RY(20)O2	467	0.000000888	5.353096586 Hartree
123	RY(21)O2	468	0.000000025	5.171239078 Hartree
124	RY(22)O2	469	0.000000069	18.536084490 Hartree
125	RY(1)C3	470	0.005602279	1.482112039 Hartree
126	RY(2)C3	471	0.003289766	1.683437836 Hartree
127	RY(3)C3	472	0.001492200	1.873500782 Hartree
128	RY(4)C3	473	0.001261354	1.669092786 Hartree
129	RY(5)C3	474	0.000937615	1.339406752 Hartree
130	RY(6)C3	475	0.000493046	3.043595154 Hartree
131	RY(7)C3	476	0.000302047	2.427483590 Hartree
132	RY(8)C3	477	0.000290527	1.049573364 Hartree
133	RY(9)C3	478	0.000255582	4.275813328 Hartree
134	RY(10)C3	479	0.000158519	2.978089402 Hartree
135	RY(11)C3	480	0.000112780	3.003463177 Hartree
136	RY(12)C3	481	0.000094499	1.725594083 Hartree
137	RY(13)C3	482	0.000073609	3.125168233 Hartree
138	RY(14)C3	483	0.000044131	3.556055847 Hartree
139	RY(15)C3	484	0.000042497	2.244693326 Hartree
140	RY(16)C3	485	0.000033974	3.393754713 Hartree
141	RY(17)C3	486	0.000018408	11.149219788 Hartree
142	RY(18)C3	487	0.000015726	2.638242331 Hartree
143	RY(19)C3	488	0.000004597	4.201788466 Hartree
144	RY(20)C3	489	0.000003248	1.789583063 Hartree
145	RY(21)C3	490	0.000001736	3.580698951 Hartree
146	RY(22)C3	491	0.000000619	2.795156178 Hartree
147	RY(1)C4	492	0.004250186	1.503622360 Hartree
148	RY(2)C4	493	0.001919520	1.215240027 Hartree
149	RY(3)C4	494	0.001261760	0.414333211 Hartree
150	RY(4)C4	495	0.000769607	1.756375987 Hartree
151	RY(5)C4	496	0.000453505	2.987993102 Hartree
152	RY(6)C4	497	0.000276808	1.525609359 Hartree
153	RY(7)C4	498	0.000233412	2.251006276 Hartree
154	RY(8)C4	499	0.000221045	2.493983165 Hartree
155	RY(9)C4	500	0.000167201	1.085154482 Hartree
156	RY(10)C4	501	0.000121202	5.719842114 Hartree
157	RY(11)C4	502	0.000086518	2.245969494 Hartree
158	RY(12)C4	503	0.000041624	2.274678455 Hartree
159	RY(13)C4	504	0.000030554	5.415883589 Hartree
160	RY(14)C4	505	0.000019388	0.840198835 Hartree
161	RY(15)C4	506	0.000013742	5.346948307 Hartree
162	RY(16)C4	507	0.000011869	2.347729407 Hartree
163	RY(17)C4	508	0.000009182	3.509033356 Hartree
164	RY(18)C4	509	0.000003802	5.230501599 Hartree
165	RY(19)C4	510	0.000004247	5.448268587 Hartree
166	RY(20)C4	511	0.000001715	4.717982852 Hartree
167	RY(21)C4	512	0.000000042	3.112907173 Hartree
168	RY(22)C4	513	0.000000200	2.946412888 Hartree
169	RY(1)C5	514	0.006872536	1.349048596 Hartree
170	RY(2)C5	515	0.003421490	1.592949901 Hartree
171	RY(3)C5	516	0.000873975	1.273187712 Hartree
172	RY(4)C5	517	0.000769407	1.250696968 Hartree
173	RY(5)C5	518	0.000538871	1.690128289 Hartree
174	RY(6)C5	519	0.000400560	3.660033656 Hartree
175	RY(7)C5	520	0.000357588	1.541441402 Hartree
176	RY(8)C5	521	0.000335179	3.309234938 Hartree
177	RY(9)C5	522	0.000204941	2.864462567 Hartree
178	RY(10)C5	523	0.000165057	4.528207977 Hartree
179	RY(11)C5	524	0.000096891	4.436676739 Hartree
180	RY(12)C5	525	0.000057892	3.455726463 Hartree
181	RY(13)C5	526	0.000037794	1.995469955 Hartree
182	RY(14)C5	527	0.000019542	2.287124853 Hartree
183	RY(15)C5	528	0.000009956	3.318513451 Hartree
184	RY(16)C5	529	0.000007317	4.211277263 Hartree
185	RY(17)C5	530	0.000004444	3.464117911 Hartree
186	RY(18)C5	531	0.000005220	1.862509568 Hartree
187	RY(19)C5	532	0.000003156	7.569193393 Hartree
188	RY(20)C5	533	0.000001616	8.394099003 Hartree
189	RY(21)C5	534	0.000001086	1.477356883 Hartree
190	RY(22)C5	535	0.000000038	2.822169176 Hartree
191	RY(1)C6	536	0.006056231	1.189938339 Hartree
192	RY(2)C6	537	0.004232258	0.919813287 Hartree
193	RY(3)C6	538	0.000965191	0.474706956 Hartree
194	RY(4)C6	539	0.000573382	2.457668390 Hartree
195	RY(5)C6	540	0.000549556	2.335727206 Hartree
196	RY(6)C6	541	0.000505952	1.501880375 Hartree
197	RY(7)C6	542	0.000284426	3.669682206 Hartree
198	RY(8)C6	543	0.000278896	0.990049053 Hartree
199	RY(9)C6	544	0.000260085	3.590811265 Hartree
200	RY(10)C6	545	0.000146666	2.027869901 Hartree
201	RY(11)C6	546	0.000053346	3.468514621 Hartree
202	RY(12)C6	547	0.000033422	7.135012452 Hartree
203	RY(13)C6	548	0.000022200	2.222706375 Hartree
204	RY(14)C6	549	0.000019884	1.295054002 Hartree
205	RY(15)C6	550	0.000006842	3.337467841 Hartree
206	RY(16)C6	551	0.000002781	1.199354588 Hartree
207	RY(17)C6	552	0.000003532	4.693122319 Hartree
208	RY(18)C6	553	0.000000032	2.933813537 Hartree
209	RY(19)C6	554	0.000000264	3.195035604 Hartree
210	RY(20)C6	555	0.000001117	5.776798342 Hartree
211	RY(21)C6	556	0.000000860	5.273115091 Hartree
212	RY(22)C6	557	0.000001770	3.228704670 Hartree
213	RY(1)C7	558	0.006390412	0.945113211 Hartree
214	RY(2)C7	559	0.005109606	0.940462119 Hartree
215	RY(3)C7	560	0.002679608	0.849222580 Hartree
216	RY(4)C7	561	0.000754409	2.333980806 Hartree
217	RY(5)C7	562	0.000734587	1.656666050 Hartree
218	RY(6)C7	563	0.000549848	1.607856832 Hartree
219	RY(7)C7	564	0.000312064	0.835583306 Hartree
220	RY(8)C7	565	0.000207197	3.635505060 Hartree
221	RY(9)C7	566	0.000158335	3.098730401 Hartree
222	RY(10)C7	567	0.000092964	2.176379120 Hartree
223	RY(11)C7	568	0.000076530	5.685892919 Hartree
224	RY(12)C7	569	0.000035268	1.571485236 Hartree
225	RY(13)C7	570	0.000026749	1.330234735 Hartree
226	RY(14)C7	571	0.000023419	3.428988711 Hartree
227	RY(15)C7	572	0.000013804	4.501337513 Hartree
228	RY(16)C7	573	0.000012122	2.158956042 Hartree
229	RY(17)C7	574	0.000009333	2.684070322 Hartree
230	RY(18)C7	575	0.000007895	7.831079314 Hartree
231	RY(19)C7	576	0.000005200	6.262545438 Hartree
232	RY(20)C7	577	0.000003157	6.341910222 Hartree
233	RY(21)C7	578	0.000000061	3.024800457 Hartree
234	RY(22)C7	579	0.000000560	2.275378129 Hartree
235	RY(1)C8	580	0.006962610	1.115268576 Hartree
236	RY(2)C8	581	0.003319996	1.367704207 Hartree
237	RY(3)C8	582	0.002331610	1.551534721 Hartree
238	RY(4)C8	583	0.001504867	2.078065606 Hartree
239	RY(5)C8	584	0.000774555	1.519041867 Hartree
240	RY(6)C8	585	0.000738011	2.346847588 Hartree
241	RY(7)C8	586	0.000624474	1.672628026 Hartree
242	RY(8)C8	587	0.000467405	5.029432594 Hartree
243	RY(9)C8	588	0.000339007	1.031853388 Hartree
244	RY(10)C8	589	0.000225515	5.282243014 Hartree
245	RY(11)C8	590	0.000173229	2.576551172 Hartree
246	RY(12)C8	591	0.000072081	2.536754231 Hartree
247	RY(13)C8	592	0.000068337	3.113136015 Hartree
248	RY(14)C8	593	0.000027189	1.510951394 Hartree
249	RY(15)C8	594	0.000021079	1.835059573 Hartree
250	RY(16)C8	595	0.000016350	3.439393051 Hartree
251	RY(17)C8	596	0.000005538	9.039429637 Hartree
252	RY(18)C8	597	0.000006247	1.922450410 Hartree
253	RY(19)C8	598	0.000002031	1.889578652 Hartree
254	RY(20)C8	599	0.000001256	3.687749362 Hartree
255	RY(21)C8	600	0.000001752	4.415595759 Hartree
256	RY(22)C8	601	0.000000185	2.578822259 Hartree
257	RY(1)O9	602	0.002986620	0.520134872 Hartree
258	RY(2)O9	603	0.001734971	0.779253209 Hartree
259	RY(3)O9	604	0.000429906	0.718075964 Hartree
260	RY(4)O9	605	0.000179151	1.581767787 Hartree
261	RY(5)O9	606	0.000108332	3.854448959 Hartree
262	RY(6)O9	607	0.000075792	1.841964154 Hartree
263	RY(7)O9	608	0.000067885	2.025410683 Hartree
264	RY(8)O9	609	0.000066556	1.582534854 Hartree
265	RY(9)O9	610	0.000024980	2.441646578 Hartree
266	RY(10)O9	611	0.000024461	1.379101138 Hartree
267	RY(11)O9	612	0.000017554	2.462670048 Hartree
268	RY(12)O9	613	0.000007222	2.499861436 Hartree
269	RY(13)O9	614	0.000003774	4.184363144 Hartree
270	RY(14)O9	615	0.000001151	5.989151898 Hartree
271	RY(15)O9	616	0.000000055	5.318488459 Hartree
272	RY(16)O9	617	0.000000798	7.097565175 Hartree
273	RY(17)O9	618	0.000001359	3.403623923 Hartree
274	RY(18)O9	619	0.000000404	4.835605569 Hartree
275	RY(19)O9	620	0.000000085	43.988845397 Hartree
276	RY(20)O9	621	0.000000003	6.287360842 Hartree
277	RY(21)O9	622	0.000000270	6.725193419 Hartree
278	RY(22)O9	623	0.000000026	7.816005035 Hartree
279	RY(1)H10	624	0.001236428	1.701385095 Hartree
280	RY(2)H10	625	0.000902457	1.753875274 Hartree
281	RY(3)H10	626	0.000352861	2.051650263 Hartree
282	RY(4)H10	627	0.000176836	2.090550141 Hartree
283	RY(5)H10	628	0.000008423	2.371560154 Hartree
284	RY(1)Br11	629	0.003177196	0.523622626 Hartree
285	RY(2)Br11	630	0.001138340	0.806788260 Hartree
286	RY(3)Br11	631	0.000687397	0.700390746 Hartree
287	RY(4)Br11	632	0.000190990	0.674576309 Hartree
288	RY(5)Br11	633	0.000129479	0.408476875 Hartree
289	RY(6)Br11	634	0.000054832	1.413013788 Hartree
290	RY(7)Br11	635	0.000042553	2.263225587 Hartree
291	RY(8)Br11	636	0.000038331	1.628699308 Hartree
292	RY(9)Br11	637	0.000038924	0.638788600 Hartree
293	RY(10)Br11	638	0.000020320	0.601679412 Hartree
294	RY(11)Br11	639	0.000014140	3.829131384 Hartree
295	RY(12)Br11	640	0.000012922	1.851313970 Hartree
296	RY(13)Br11	641	0.000008095	1.108346140 Hartree
297	RY(14)Br11	642	0.000006958	1.832450055 Hartree
298	RY(15)Br11	643	0.000005249	2.512651278 Hartree
299	RY(16)Br11	644	0.000002156	2.778470312 Hartree
300	RY(17)Br11	645	0.000001785	3.958298781 Hartree
301	RY(18)Br11	646	0.000002301	2.392622949 Hartree
302	RY(19)Br11	647	0.000001270	3.313083171 Hartree
303	RY(20)Br11	648	0.000002089	4.956066503 Hartree
304	RY(21)Br11	649	0.000000113	9.084197996 Hartree
305	RY(22)Br11	650	0.000000001	260.665614065 Hartree
306	RY(23)Br11	651	0.000000005	66.942503332 Hartree
307	RY(24)Br11	652	0.000000001	6.959738779 Hartree
308	RY(25)Br11	653	0.000000000	287.635531196 Hartree
309	RY(26)Br11	654	0.000000193	6.267955858 Hartree
310	RY(27)Br11	655	0.000000003	5.968173740 Hartree
311	RY(28)Br11	656	0.000000045	9.124460030 Hartree
312	RY(29)Br11	657	0.000000339	3.537921838 Hartree
313	RY(30)Br11	658	0.000000168	5.409372349 Hartree
314	RY(31)Br11	659	0.000000000	285.390324337 Hartree
315	RY(32)Br11	660	0.000000000	967.507393403 Hartree
316	RY(33)Br11	661	0.000000304	9.176544580 Hartree
317	RY(34)Br11	662	0.000000654	3.786162217 Hartree
318	RY(35)Br11	663	0.000000007	56.198080543 Hartree
319	RY(1)H12	664	0.001654754	0.797485789 Hartree
320	RY(2)H12	665	0.000363963	2.633606162 Hartree
321	RY(3)H12	666	0.000123054	1.805245870 Hartree
322	RY(4)H12	667	0.000063437	2.197936646 Hartree
323	RY(5)H12	668	0.000051629	2.261300598 Hartree
324	RY(1)C13	669	0.011448195	1.115971484 Hartree
325	RY(2)C13	670	0.004272729	1.807111653 Hartree
326	RY(3)C13	671	0.002009369	1.302687150 Hartree
327	RY(4)C13	672	0.001441024	1.715204174 Hartree
328	RY(5)C13	673	0.000277936	2.332547188 Hartree
329	RY(6)C13	674	0.000221740	0.586426689 Hartree
330	RY(7)C13	675	0.000219629	3.438805936 Hartree
331	RY(8)C13	676	0.000134175	2.015967028 Hartree
332	RY(9)C13	677	0.000068252	1.045350453 Hartree
333	RY(10)C13	678	0.000019639	1.971688631 Hartree
334	RY(11)C13	679	0.000012787	4.867750931 Hartree
335	RY(12)C13	680	0.000007980	5.283008901 Hartree
336	RY(13)C13	681	0.000004782	2.415064344 Hartree
337	RY(14)C13	682	0.000005340	7.399779259 Hartree
338	RY(15)C13	683	0.000002920	0.435357328 Hartree
339	RY(16)C13	684	0.000002978	3.617791615 Hartree
340	RY(17)C13	685	0.000000504	3.080930827 Hartree
341	RY(18)C13	686	0.000000750	1.558890579 Hartree
342	RY(19)C13	687	0.000000358	2.626899183 Hartree
343	RY(20)C13	688	0.000001175	3.954268003 Hartree
344	RY(21)C13	689	0.000000012	3.166954485 Hartree
345	RY(22)C13	690	0.000000030	2.681280733 Hartree
346	RY(1)O14	691	0.004038123	0.794597415 Hartree
347	RY(2)O14	692	0.000789145	0.630995237 Hartree
348	RY(3)O14	693	0.000576208	1.168714416 Hartree
349	RY(4)O14	694	0.000062076	2.465091897 Hartree
350	RY(5)O14	695	0.000023470	1.747258138 Hartree
351	RY(6)O14	696	0.000019278	1.236645621 Hartree
352	RY(7)O14	697	0.000011129	1.659665553 Hartree
353	RY(8)O14	698	0.000007979	2.181504936 Hartree
354	RY(9)O14	699	0.000004423	3.449181366 Hartree
355	RY(10)O14	700	0.000004946	1.344058543 Hartree
356	RY(11)O14	701	0.000002752	2.201277822 Hartree
357	RY(12)O14	702	0.000000223	5.238082328 Hartree
358	RY(13)O14	703	0.000000013	4.913393349 Hartree
359	RY(14)O14	704	0.000000880	4.106264318 Hartree
360	RY(15)O14	705	0.000001412	2.118967903 Hartree
361	RY(16)O14	706	0.000000024	7.851548653 Hartree
362	RY(17)O14	707	0.000000000	6.648526319 Hartree
363	RY(18)O14	708	0.000000043	2.011938029 Hartree
364	RY(19)O14	709	0.000000000	6.720007392 Hartree
365	RY(20)O14	710	0.000000139	34.932603345 Hartree
366	RY(21)O14	711	0.000000067	16.414251174 Hartree
367	RY(22)O14	712	0.000000005	7.129798781 Hartree
368	RY(1)H15	713	0.002841938	0.531398924 Hartree
369	RY(2)H15	714	0.000131212	2.581474719 Hartree
370	RY(3)H15	715	0.000074053	1.735509152 Hartree
371	RY(4)H15	716	0.000070385	2.179747992 Hartree
372	RY(5)H15	717	0.000043800	2.286241684 Hartree
373	RY(1)H16	718	0.001682456	0.833731142 Hartree
374	RY(2)H16	719	0.000289217	2.530886451 Hartree
375	RY(3)H16	720	0.000197182	1.801930489 Hartree
376	RY(4)H16	721	0.000048575	2.276789391 Hartree
377	RY(5)H16	722	0.000033548	2.259222520 Hartree
378	RY(1)H17	723	0.000280102	0.526078588 Hartree
379	RY(2)H17	724	0.000059601	1.812944624 Hartree
380	RY(3)H17	725	0.000057668	2.254964102 Hartree
381	RY(4)H17	726	0.000023016	2.350675545 Hartree
382	RY(5)H17	727	0.000003373	2.179386128 Hartree
383	RY(1)H18	728	0.001326370	0.430276606 Hartree
384	RY(2)H18	729	0.000091092	2.054495090 Hartree
385	RY(3)H18	730	0.000068561	2.235810417 Hartree
386	RY(4)H18	731	0.000038082	2.247992171 Hartree
387	RY(5)H18	732	0.000015240	2.187038923 Hartree
388	RY(1)H19	733	0.001326370	0.430276606 Hartree
389	RY(2)H19	734	0.000091092	2.054495090 Hartree
390	RY(3)H19	735	0.000068561	2.235810417 Hartree
391	RY(4)H19	736	0.000038082	2.247992171 Hartree
392	RY(5)H19	737	0.000015240	2.187038923 Hartree

Quote

... THE UNIVERSE IS NOT ONLY QUEERER THAN WE SUPPOSE, BUT QUEERER THAN WE CAN SUPPOSE ... -- J. B. S. HALDANE