WebMO Job Summary

153781: 2-​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	-3109.0203183 Hartree
Dipole Moment	6.3846 Debye
Server	batch (156230)
CPU time	2698.2 sec

Rotational Constants

Constant	Frequency (GHz)	Frequency (cm-1)
a	1.2608675	0.04205801268
b	0.4040552	0.01347783072
c	0.3065951	0.01022691171

Partial Charges

Atom	Symbol	Charge
1	C	-0.135941
2	O	-0.574666
3	C	0.348339
4	C	-0.911459
5	C	0.527104
6	C	0.456276
7	C	-0.172021
8	C	0.109043
9	O	-0.448079
10	H	0.312953
11	H	0.134269
12	Br	-0.027405
13	C	0.139760
14	O	-0.361113
15	H	0.072139
16	H	0.097135
17	H	0.145809
18	H	0.143929
19	H	0.143929

Molecular Orbitals

Display Range		- / 392
Orbital	Symmetry	Occupancy	Energy	Actions
1	-	2	-482.81742 Hartree
2	-	2	-62.47154 Hartree
3	-	2	-56.29156 Hartree
4	-	2	-56.28757 Hartree
5	-	2	-56.28717 Hartree
6	-	2	-19.19325 Hartree
7	-	2	-19.18232 Hartree
8	-	2	-19.12143 Hartree
9	-	2	-10.26758 Hartree
10	-	2	-10.26447 Hartree
11	-	2	-10.26199 Hartree
12	-	2	-10.25412 Hartree
13	-	2	-10.24947 Hartree
14	-	2	-10.20938 Hartree
15	-	2	-10.20649 Hartree
16	-	2	-10.19889 Hartree
17	-	2	-8.68987 Hartree
18	-	2	-6.52139 Hartree
19	-	2	-6.50866 Hartree
20	-	2	-6.50741 Hartree
21	-	2	-2.63172 Hartree
22	-	2	-2.62819 Hartree
23	-	2	-2.62730 Hartree
24	-	2	-2.61709 Hartree
25	-	2	-2.61708 Hartree
26	-	2	-1.11471 Hartree
27	-	2	-1.08615 Hartree
28	-	2	-1.05303 Hartree
29	-	2	-0.89661 Hartree
30	-	2	-0.82012 Hartree
31	-	2	-0.79385 Hartree
32	-	2	-0.76746 Hartree
33	-	2	-0.72160 Hartree
34	-	2	-0.67123 Hartree
35	-	2	-0.64392 Hartree
36	-	2	-0.60261 Hartree
37	-	2	-0.57954 Hartree
38	-	2	-0.53452 Hartree
39	-	2	-0.52278 Hartree
40	-	2	-0.50636 Hartree
41	-	2	-0.49321 Hartree
42	-	2	-0.47668 Hartree
43	-	2	-0.46148 Hartree
44	-	2	-0.44906 Hartree
45	-	2	-0.44125 Hartree
46	-	2	-0.43582 Hartree
47	-	2	-0.41422 Hartree
48	-	2	-0.40855 Hartree
49	-	2	-0.38149 Hartree
50	-	2	-0.37748 Hartree
51	-	2	-0.37690 Hartree
52	-	2	-0.36358 Hartree
53	-	2	-0.30879 Hartree
54	-	2	-0.29794 Hartree
55	-	2	-0.26679 Hartree
56	-	2	-0.25617 Hartree
57	-	2	-0.24058 Hartree
58	-	0	-0.07358 Hartree
59	-	0	-0.03534 Hartree
60	-	0	-0.01694 Hartree
61	-	0	-0.01577 Hartree
62	-	0	-0.00729 Hartree
63	-	0	0.01139 Hartree
64	-	0	0.01813 Hartree
65	-	0	0.01981 Hartree
66	-	0	0.03401 Hartree
67	-	0	0.03477 Hartree
68	-	0	0.04019 Hartree
69	-	0	0.05088 Hartree
70	-	0	0.05456 Hartree
71	-	0	0.06464 Hartree
72	-	0	0.06531 Hartree
73	-	0	0.07057 Hartree
74	-	0	0.08273 Hartree
75	-	0	0.08627 Hartree
76	-	0	0.09528 Hartree
77	-	0	0.10234 Hartree
78	-	0	0.10297 Hartree
79	-	0	0.10850 Hartree
80	-	0	0.11022 Hartree
81	-	0	0.11751 Hartree
82	-	0	0.12153 Hartree
83	-	0	0.13009 Hartree
84	-	0	0.13794 Hartree
85	-	0	0.14615 Hartree
86	-	0	0.14753 Hartree
87	-	0	0.15108 Hartree
88	-	0	0.15659 Hartree
89	-	0	0.16386 Hartree
90	-	0	0.16659 Hartree
91	-	0	0.17321 Hartree
92	-	0	0.17764 Hartree
93	-	0	0.18012 Hartree
94	-	0	0.19011 Hartree
95	-	0	0.19696 Hartree
96	-	0	0.20647 Hartree
97	-	0	0.20943 Hartree
98	-	0	0.21001 Hartree
99	-	0	0.21428 Hartree
100	-	0	0.22015 Hartree
101	-	0	0.22831 Hartree
102	-	0	0.23265 Hartree
103	-	0	0.23489 Hartree
104	-	0	0.25031 Hartree
105	-	0	0.25516 Hartree
106	-	0	0.25660 Hartree
107	-	0	0.26483 Hartree
108	-	0	0.27223 Hartree
109	-	0	0.27418 Hartree
110	-	0	0.27998 Hartree
111	-	0	0.28788 Hartree
112	-	0	0.29352 Hartree
113	-	0	0.30290 Hartree
114	-	0	0.30784 Hartree
115	-	0	0.31168 Hartree
116	-	0	0.31681 Hartree
117	-	0	0.33312 Hartree
118	-	0	0.34237 Hartree
119	-	0	0.34936 Hartree
120	-	0	0.35995 Hartree
121	-	0	0.36025 Hartree
122	-	0	0.36511 Hartree
123	-	0	0.36903 Hartree
124	-	0	0.37251 Hartree
125	-	0	0.37583 Hartree
126	-	0	0.40320 Hartree
127	-	0	0.40527 Hartree
128	-	0	0.41671 Hartree
129	-	0	0.43606 Hartree
130	-	0	0.44007 Hartree
131	-	0	0.44184 Hartree
132	-	0	0.45511 Hartree
133	-	0	0.47889 Hartree
134	-	0	0.48833 Hartree
135	-	0	0.50160 Hartree
136	-	0	0.50218 Hartree
137	-	0	0.50939 Hartree
138	-	0	0.51825 Hartree
139	-	0	0.52524 Hartree
140	-	0	0.52642 Hartree
141	-	0	0.53688 Hartree
142	-	0	0.54705 Hartree
143	-	0	0.56058 Hartree
144	-	0	0.56577 Hartree
145	-	0	0.57748 Hartree
146	-	0	0.58938 Hartree
147	-	0	0.59032 Hartree
148	-	0	0.59293 Hartree
149	-	0	0.60472 Hartree
150	-	0	0.61199 Hartree
151	-	0	0.62259 Hartree
152	-	0	0.63499 Hartree
153	-	0	0.64765 Hartree
154	-	0	0.65480 Hartree
155	-	0	0.65689 Hartree
156	-	0	0.67146 Hartree
157	-	0	0.68370 Hartree
158	-	0	0.69613 Hartree
159	-	0	0.70459 Hartree
160	-	0	0.70594 Hartree
161	-	0	0.71320 Hartree
162	-	0	0.72142 Hartree
163	-	0	0.72694 Hartree
164	-	0	0.75421 Hartree
165	-	0	0.77373 Hartree
166	-	0	0.77407 Hartree
167	-	0	0.79236 Hartree
168	-	0	0.79681 Hartree
169	-	0	0.81132 Hartree
170	-	0	0.82390 Hartree
171	-	0	0.83189 Hartree
172	-	0	0.84083 Hartree
173	-	0	0.85011 Hartree
174	-	0	0.85548 Hartree
175	-	0	0.86977 Hartree
176	-	0	0.88206 Hartree
177	-	0	0.90930 Hartree
178	-	0	0.92979 Hartree
179	-	0	0.94106 Hartree
180	-	0	0.95323 Hartree
181	-	0	0.96557 Hartree
182	-	0	0.98134 Hartree
183	-	0	0.99850 Hartree
184	-	0	1.01680 Hartree
185	-	0	1.01986 Hartree
186	-	0	1.04162 Hartree
187	-	0	1.04389 Hartree
188	-	0	1.06878 Hartree
189	-	0	1.07046 Hartree
190	-	0	1.08724 Hartree
191	-	0	1.09430 Hartree
192	-	0	1.10546 Hartree
193	-	0	1.10771 Hartree
194	-	0	1.12202 Hartree
195	-	0	1.12801 Hartree
196	-	0	1.14548 Hartree
197	-	0	1.17361 Hartree
198	-	0	1.18301 Hartree
199	-	0	1.18974 Hartree
200	-	0	1.19783 Hartree
201	-	0	1.21769 Hartree
202	-	0	1.21951 Hartree
203	-	0	1.23624 Hartree
204	-	0	1.24700 Hartree
205	-	0	1.26448 Hartree
206	-	0	1.28069 Hartree
207	-	0	1.31255 Hartree
208	-	0	1.33154 Hartree
209	-	0	1.33343 Hartree
210	-	0	1.34654 Hartree
211	-	0	1.35260 Hartree
212	-	0	1.36158 Hartree
213	-	0	1.37792 Hartree
214	-	0	1.39773 Hartree
215	-	0	1.41309 Hartree
216	-	0	1.45507 Hartree
217	-	0	1.49008 Hartree
218	-	0	1.50059 Hartree
219	-	0	1.54845 Hartree
220	-	0	1.56042 Hartree
221	-	0	1.56237 Hartree
222	-	0	1.58078 Hartree
223	-	0	1.62118 Hartree
224	-	0	1.64865 Hartree
225	-	0	1.65397 Hartree
226	-	0	1.66943 Hartree
227	-	0	1.68338 Hartree
228	-	0	1.70453 Hartree
229	-	0	1.73786 Hartree
230	-	0	1.74446 Hartree
231	-	0	1.78370 Hartree
232	-	0	1.78514 Hartree
233	-	0	1.80824 Hartree
234	-	0	1.81247 Hartree
235	-	0	1.82725 Hartree
236	-	0	1.84100 Hartree
237	-	0	1.85940 Hartree
238	-	0	1.87236 Hartree
239	-	0	1.88925 Hartree
240	-	0	1.91915 Hartree
241	-	0	1.92591 Hartree
242	-	0	1.96239 Hartree
243	-	0	1.98858 Hartree
244	-	0	1.99906 Hartree
245	-	0	2.01921 Hartree
246	-	0	2.04707 Hartree
247	-	0	2.05801 Hartree
248	-	0	2.09889 Hartree
249	-	0	2.11624 Hartree
250	-	0	2.13070 Hartree
251	-	0	2.14045 Hartree
252	-	0	2.17671 Hartree
253	-	0	2.20367 Hartree
254	-	0	2.21816 Hartree
255	-	0	2.23455 Hartree
256	-	0	2.25697 Hartree
257	-	0	2.28065 Hartree
258	-	0	2.30655 Hartree
259	-	0	2.32836 Hartree
260	-	0	2.36669 Hartree
261	-	0	2.37317 Hartree
262	-	0	2.40269 Hartree
263	-	0	2.42989 Hartree
264	-	0	2.49949 Hartree
265	-	0	2.53098 Hartree
266	-	0	2.54456 Hartree
267	-	0	2.58761 Hartree
268	-	0	2.59755 Hartree
269	-	0	2.61152 Hartree
270	-	0	2.62404 Hartree
271	-	0	2.65049 Hartree
272	-	0	2.69081 Hartree
273	-	0	2.70813 Hartree
274	-	0	2.72360 Hartree
275	-	0	2.72431 Hartree
276	-	0	2.78736 Hartree
277	-	0	2.82181 Hartree
278	-	0	2.82567 Hartree
279	-	0	2.85649 Hartree
280	-	0	2.87106 Hartree
281	-	0	2.87352 Hartree
282	-	0	2.89050 Hartree
283	-	0	2.90659 Hartree
284	-	0	3.00429 Hartree
285	-	0	3.03089 Hartree
286	-	0	3.05871 Hartree
287	-	0	3.05895 Hartree
288	-	0	3.07994 Hartree
289	-	0	3.09166 Hartree
290	-	0	3.09925 Hartree
291	-	0	3.15996 Hartree
292	-	0	3.16011 Hartree
293	-	0	3.18629 Hartree
294	-	0	3.22293 Hartree
295	-	0	3.25109 Hartree
296	-	0	3.26651 Hartree
297	-	0	3.27843 Hartree
298	-	0	3.31926 Hartree
299	-	0	3.33552 Hartree
300	-	0	3.34392 Hartree
301	-	0	3.36109 Hartree
302	-	0	3.36683 Hartree
303	-	0	3.40155 Hartree
304	-	0	3.41623 Hartree
305	-	0	3.42988 Hartree
306	-	0	3.43685 Hartree
307	-	0	3.45554 Hartree
308	-	0	3.46725 Hartree
309	-	0	3.48409 Hartree
310	-	0	3.51184 Hartree
311	-	0	3.55539 Hartree
312	-	0	3.56234 Hartree
313	-	0	3.57714 Hartree
314	-	0	3.58784 Hartree
315	-	0	3.60557 Hartree
316	-	0	3.60858 Hartree
317	-	0	3.62119 Hartree
318	-	0	3.64663 Hartree
319	-	0	3.67075 Hartree
320	-	0	3.67268 Hartree
321	-	0	3.70268 Hartree
322	-	0	3.72780 Hartree
323	-	0	3.76212 Hartree
324	-	0	3.81928 Hartree
325	-	0	3.84611 Hartree
326	-	0	3.90644 Hartree
327	-	0	3.94329 Hartree
328	-	0	3.96057 Hartree
329	-	0	3.98407 Hartree
330	-	0	3.99812 Hartree
331	-	0	4.04160 Hartree
332	-	0	4.05663 Hartree
333	-	0	4.07706 Hartree
334	-	0	4.13506 Hartree
335	-	0	4.14449 Hartree
336	-	0	4.19771 Hartree
337	-	0	4.22404 Hartree
338	-	0	4.39418 Hartree
339	-	0	4.47711 Hartree
340	-	0	4.61213 Hartree
341	-	0	4.75396 Hartree
342	-	0	4.83382 Hartree
343	-	0	4.96974 Hartree
344	-	0	5.02945 Hartree
345	-	0	5.04667 Hartree
346	-	0	5.20692 Hartree
347	-	0	5.25884 Hartree
348	-	0	5.43114 Hartree
349	-	0	5.59917 Hartree
350	-	0	5.84212 Hartree
351	-	0	6.00925 Hartree
352	-	0	6.05579 Hartree
353	-	0	6.20379 Hartree
354	-	0	6.25203 Hartree
355	-	0	6.28328 Hartree
356	-	0	6.43571 Hartree
357	-	0	6.45054 Hartree
358	-	0	6.79431 Hartree
359	-	0	6.81929 Hartree
360	-	0	6.87779 Hartree
361	-	0	6.89666 Hartree
362	-	0	6.97137 Hartree
363	-	0	7.01215 Hartree
364	-	0	7.01418 Hartree
365	-	0	7.02071 Hartree
366	-	0	7.02327 Hartree
367	-	0	7.06112 Hartree
368	-	0	7.23767 Hartree
369	-	0	7.25158 Hartree
370	-	0	7.28630 Hartree
371	-	0	7.33339 Hartree
372	-	0	7.44029 Hartree
373	-	0	7.50941 Hartree
374	-	0	7.57206 Hartree
375	-	0	7.73461 Hartree
376	-	0	7.92825 Hartree
377	-	0	23.65946 Hartree
378	-	0	23.94781 Hartree
379	-	0	23.97507 Hartree
380	-	0	24.03018 Hartree
381	-	0	24.06708 Hartree
382	-	0	24.14123 Hartree
383	-	0	24.15220 Hartree
384	-	0	24.18100 Hartree
385	-	0	48.13836 Hartree
386	-	0	49.96700 Hartree
387	-	0	50.01133 Hartree
388	-	0	50.04586 Hartree
389	-	0	289.77909 Hartree
390	-	0	289.94018 Hartree
391	-	0	290.148271020.98253 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	-0.20373
2	O	-0.57085
3	C	0.25519
4	C	-0.21732
5	C	-0.21191
6	C	-0.05936
7	C	-0.26785
8	C	0.33226
9	O	-0.66750
10	H	0.49563
11	H	0.23935
12	Br	0.11502
13	C	0.42212
14	O	-0.52692
15	H	0.09964
16	H	0.21575
17	H	0.19648
18	H	0.17701
19	H	0.17701

Natural Atomic Orbitals

Display Range		- / 392
Orbital	Description	Occupancy	Energy	Actions
1	C1 Cor(1s)	1.999984726	-10.253993268 Hartree
2	C1 Val(2s)	1.089795019	-0.234954717 Hartree
3	C1 Ryd(3s)	0.001927848	0.913816165 Hartree
4	C1 Ryd(4s)	0.000028663	8.532198561 Hartree
5	C1 Ryd(5s)	0.000009450	13.930135670 Hartree
6	C1 Val(2p)	1.017756822	-0.121970023 Hartree
7	C1 Ryd(3p)	0.003066114	0.726197761 Hartree
8	C1 Ryd(4p)	0.000105828	1.551238845 Hartree
9	C1 Ryd(5p)	0.000049015	1.764842141 Hartree
10	C1 Val(2p)	0.895203744	-0.116012595 Hartree
11	C1 Ryd(3p)	0.002203899	0.877499650 Hartree
12	C1 Ryd(4p)	0.000184632	2.228586889 Hartree
13	C1 Ryd(5p)	0.000080489	2.007984123 Hartree
14	C1 Val(2p)	1.186540110	-0.141817688 Hartree
15	C1 Ryd(3p)	0.000314612	0.651652652 Hartree
16	C1 Ryd(4p)	0.000076245	1.490892069 Hartree
17	C1 Ryd(5p)	0.000024825	1.700329398 Hartree
18	C1 Ryd(3d)	0.001687109	2.317313598 Hartree
19	C1 Ryd(4d)	0.000062652	3.005427278 Hartree
20	C1 Ryd(3d)	0.001710677	2.110489752 Hartree
21	C1 Ryd(4d)	0.000020377	2.758317465 Hartree
22	C1 Ryd(3d)	0.000673433	1.670719534 Hartree
23	C1 Ryd(4d)	0.000041734	2.531315343 Hartree
24	C1 Ryd(3d)	0.000946499	1.865549314 Hartree
25	C1 Ryd(4d)	0.000080655	2.818053133 Hartree
26	C1 Ryd(3d)	0.001124460	2.114850680 Hartree
27	C1 Ryd(4d)	0.000033210	2.909554378 Hartree
28	O2 Cor(1s)	1.999993407	-19.193167944 Hartree
29	O2 Val(2s)	1.594549425	-0.748596615 Hartree
30	O2 Ryd(3s)	0.001676461	1.923015087 Hartree
31	O2 Ryd(4s)	0.000137083	1.609704195 Hartree
32	O2 Ryd(5s)	0.000000302	48.740309774 Hartree
33	O2 Val(2p)	1.722055974	-0.363891660 Hartree
34	O2 Ryd(3p)	0.003780302	0.857465882 Hartree
35	O2 Ryd(4p)	0.000444756	1.005380892 Hartree
36	O2 Ryd(5p)	0.000014931	5.184379521 Hartree
37	O2 Val(2p)	1.371436115	-0.325344493 Hartree
38	O2 Ryd(3p)	0.001467110	1.397889518 Hartree
39	O2 Ryd(4p)	0.000640163	0.949550427 Hartree
40	O2 Ryd(5p)	0.000008871	4.972293976 Hartree
41	O2 Val(2p)	1.859964208	-0.351946124 Hartree
42	O2 Ryd(3p)	0.005058769	0.469399425 Hartree
43	O2 Ryd(4p)	0.000225204	0.874670276 Hartree
44	O2 Ryd(5p)	0.000001645	4.937396808 Hartree
45	O2 Ryd(3d)	0.003447131	2.353032561 Hartree
46	O2 Ryd(4d)	0.000033639	7.219136436 Hartree
47	O2 Ryd(3d)	0.001784612	1.734260147 Hartree
48	O2 Ryd(4d)	0.000013547	6.873279330 Hartree
49	O2 Ryd(3d)	0.000314678	1.819616258 Hartree
50	O2 Ryd(4d)	0.000044155	6.936195294 Hartree
51	O2 Ryd(3d)	0.001727737	2.101871881 Hartree
52	O2 Ryd(4d)	0.000059713	7.161635762 Hartree
53	O2 Ryd(3d)	0.001965747	1.930881823 Hartree
54	O2 Ryd(4d)	0.000006278	6.952819049 Hartree
55	C3 Cor(1s)	1.999984280	-10.261878459 Hartree
56	C3 Val(2s)	0.821979237	-0.089789992 Hartree
57	C3 Ryd(3s)	0.001050181	1.261960323 Hartree
58	C3 Ryd(4s)	0.000283091	4.025239561 Hartree
59	C3 Ryd(5s)	0.000021446	16.645051959 Hartree
60	C3 Val(2p)	1.063636191	-0.054197119 Hartree
61	C3 Ryd(3p)	0.004606395	1.386224870 Hartree
62	C3 Ryd(4p)	0.000463050	1.118144783 Hartree
63	C3 Ryd(5p)	0.000197688	3.081405022 Hartree
64	C3 Val(2p)	0.794929909	-0.034789290 Hartree
65	C3 Ryd(3p)	0.005560808	1.310222712 Hartree
66	C3 Ryd(4p)	0.000284324	1.131594745 Hartree
67	C3 Ryd(5p)	0.000178901	3.537768313 Hartree
68	C3 Val(2p)	1.044024287	-0.151523049 Hartree
69	C3 Ryd(3p)	0.000823675	0.584680700 Hartree
70	C3 Ryd(4p)	0.000295655	0.509313310 Hartree
71	C3 Ryd(5p)	0.000024705	2.541277894 Hartree
72	C3 Ryd(3d)	0.001120872	2.991638033 Hartree
73	C3 Ryd(4d)	0.000385667	3.818214469 Hartree
74	C3 Ryd(3d)	0.000609977	1.940571678 Hartree
75	C3 Ryd(4d)	0.000069832	2.644033589 Hartree
76	C3 Ryd(3d)	0.001490441	1.990963408 Hartree
77	C3 Ryd(4d)	0.000138372	2.607995928 Hartree
78	C3 Ryd(3d)	0.000930244	2.891184064 Hartree
79	C3 Ryd(4d)	0.000479375	3.727234756 Hartree
80	C3 Ryd(3d)	0.000980023	2.801596821 Hartree
81	C3 Ryd(4d)	0.000263973	3.342840350 Hartree
82	C4 Cor(1s)	1.999984275	-10.209241565 Hartree
83	C4 Val(2s)	0.932662420	-0.118563814 Hartree
84	C4 Ryd(3s)	0.000573522	1.771178192 Hartree
85	C4 Ryd(4s)	0.000010862	19.446004674 Hartree
86	C4 Val(2p)	1.114293155	-0.059906946 Hartree
87	C4 Ryd(3p)	0.004153501	1.280224671 Hartree
88	C4 Ryd(4p)	0.000255531	0.863082554 Hartree
89	C4 Ryd(5p)	0.000110891	3.594562996 Hartree
90	C4 Val(2p)	1.119117482	-0.063027023 Hartree
91	C4 Ryd(3p)	0.002982186	1.238089539 Hartree
92	C4 Ryd(4p)	0.000504140	0.949372349 Hartree
93	C4 Ryd(5p)	0.000109909	3.550488854 Hartree
94	C4 Val(2p)	1.035248158	-0.145385629 Hartree
95	C4 Ryd(3p)	0.001199106	0.468243604 Hartree
96	C4 Ryd(4p)	0.000399652	0.382000029 Hartree
97	C4 Ryd(5p)	0.000008014	2.796792216 Hartree
98	C4 Ryd(3d)	0.000557259	2.478444744 Hartree
99	C4 Ryd(4d)	0.000470275	3.893141498 Hartree
100	C4 Ryd(3d)	0.000817504	1.316945974 Hartree
101	C4 Ryd(4d)	0.000035532	3.130519086 Hartree
102	C4 Ryd(3d)	0.000410757	1.301771768 Hartree
103	C4 Ryd(4d)	0.000072720	3.136466857 Hartree
104	C4 Ryd(3d)	0.000952530	2.565158263 Hartree
105	C4 Ryd(4d)	0.000210200	3.884530868 Hartree
106	C4 Ryd(3d)	0.002098602	1.980118855 Hartree
107	C4 Ryd(4d)	0.000081832	3.476137459 Hartree
108	C5 Cor(1s)	1.999985880	-10.206409857 Hartree
109	C5 Val(2s)	0.909754958	-0.089224135 Hartree
110	C5 Ryd(3s)	0.001177554	1.202490161 Hartree
111	C5 Ryd(4s)	0.000621636	7.907908145 Hartree
112	C5 Ryd(5s)	0.000015060	9.933550793 Hartree
113	C5 Val(2p)	1.114350869	-0.066537493 Hartree
114	C5 Ryd(3p)	0.005140954	1.297318198 Hartree
115	C5 Ryd(4p)	0.000363447	2.598868716 Hartree
116	C5 Ryd(5p)	0.000049641	4.093630612 Hartree
117	C5 Val(2p)	1.090362384	-0.057552867 Hartree
118	C5 Ryd(3p)	0.005696987	1.074629385 Hartree
119	C5 Ryd(4p)	0.000608579	1.829559596 Hartree
120	C5 Ryd(5p)	0.000059398	2.716383995 Hartree
121	C5 Val(2p)	1.077696241	-0.132637874 Hartree
122	C5 Ryd(3p)	0.001111068	0.503802432 Hartree
123	C5 Ryd(4p)	0.000140009	0.915317751 Hartree
124	C5 Ryd(5p)	0.000010046	2.226454256 Hartree
125	C5 Ryd(3d)	0.000684429	2.409015184 Hartree
126	C5 Ryd(4d)	0.000427078	3.802798124 Hartree
127	C5 Ryd(3d)	0.000393087	1.700591095 Hartree
128	C5 Ryd(4d)	0.000092059	2.882539468 Hartree
129	C5 Ryd(3d)	0.000446135	1.705601607 Hartree
130	C5 Ryd(4d)	0.000083288	2.871656915 Hartree
131	C5 Ryd(3d)	0.000924603	2.685979247 Hartree
132	C5 Ryd(4d)	0.000415101	3.698744703 Hartree
133	C5 Ryd(3d)	0.001136157	2.287243898 Hartree
134	C5 Ryd(4d)	0.000167186	3.346716866 Hartree
135	C6 Cor(1s)	1.999984699	-10.249354804 Hartree
136	C6 Val(2s)	0.944762534	-0.155679646 Hartree
137	C6 Ryd(3s)	0.001385440	1.930188853 Hartree
138	C6 Ryd(4s)	0.000476386	4.223155181 Hartree
139	C6 Ryd(5s)	0.000008580	18.431876536 Hartree
140	C6 Val(2p)	1.055718371	-0.045818025 Hartree
141	C6 Ryd(3p)	0.005213710	0.848229385 Hartree
142	C6 Ryd(4p)	0.000119803	1.745643761 Hartree
143	C6 Ryd(5p)	0.000090294	3.727919887 Hartree
144	C6 Val(2p)	0.993380522	-0.119856942 Hartree
145	C6 Ryd(3p)	0.006146577	1.086922677 Hartree
146	C6 Ryd(4p)	0.000282798	1.557875688 Hartree
147	C6 Ryd(5p)	0.000114427	3.902366323 Hartree
148	C6 Val(2p)	1.039586677	-0.155388022 Hartree
149	C6 Ryd(3p)	0.001396254	0.533000044 Hartree
150	C6 Ryd(4p)	0.000259554	0.557087378 Hartree
151	C6 Ryd(5p)	0.000002750	2.722566081 Hartree
152	C6 Ryd(3d)	0.001782647	1.843647093 Hartree
153	C6 Ryd(4d)	0.000343646	3.807444293 Hartree
154	C6 Ryd(3d)	0.000541987	1.166949990 Hartree
155	C6 Ryd(4d)	0.000155498	3.318099408 Hartree
156	C6 Ryd(3d)	0.001581118	1.065688010 Hartree
157	C6 Ryd(4d)	0.000107680	3.325161546 Hartree
158	C6 Ryd(3d)	0.002362269	1.935481814 Hartree
159	C6 Ryd(4d)	0.000445004	3.840764600 Hartree
160	C6 Ryd(3d)	0.002961862	1.739647009 Hartree
161	C6 Ryd(4d)	0.000150771	3.555452910 Hartree
162	C7 Cor(1s)	1.999985469	-10.198787219 Hartree
163	C7 Val(2s)	0.949638002	-0.103322354 Hartree
164	C7 Ryd(3s)	0.002036327	1.168784469 Hartree
165	C7 Ryd(4s)	0.000080593	7.862221952 Hartree
166	C7 Ryd(5s)	0.000019915	13.685911865 Hartree
167	C7 Val(2p)	1.143959855	-0.072754798 Hartree
168	C7 Ryd(3p)	0.005127583	1.038009087 Hartree
169	C7 Ryd(4p)	0.000366459	1.247890664 Hartree
170	C7 Ryd(5p)	0.000045670	3.184878681 Hartree
171	C7 Val(2p)	1.116494150	-0.063436832 Hartree
172	C7 Ryd(3p)	0.006058905	1.174402125 Hartree
173	C7 Ryd(4p)	0.000243612	1.323445285 Hartree
174	C7 Ryd(5p)	0.000091155	3.065186198 Hartree
175	C7 Val(2p)	1.035641799	-0.134532400 Hartree
176	C7 Ryd(3p)	0.001546557	0.483718731 Hartree
177	C7 Ryd(4p)	0.000436551	0.580180762 Hartree
178	C7 Ryd(5p)	0.000009568	2.515115889 Hartree
179	C7 Ryd(3d)	0.000881561	2.278862559 Hartree
180	C7 Ryd(4d)	0.000454897	3.774117643 Hartree
181	C7 Ryd(3d)	0.000510205	1.339001724 Hartree
182	C7 Ryd(4d)	0.000094963	3.078339319 Hartree
183	C7 Ryd(3d)	0.000842801	1.346951018 Hartree
184	C7 Ryd(4d)	0.000053798	3.051984296 Hartree
185	C7 Ryd(3d)	0.001455351	2.331882229 Hartree
186	C7 Ryd(4d)	0.000154099	3.783131309 Hartree
187	C7 Ryd(3d)	0.001569546	1.883451729 Hartree
188	C7 Ryd(4d)	0.000055515	3.415630402 Hartree
189	C8 Cor(1s)	1.999985219	-10.267452942 Hartree
190	C8 Val(2s)	0.829641310	-0.095968500 Hartree
191	C8 Ryd(3s)	0.001388230	1.350530698 Hartree
192	C8 Ryd(4s)	0.000182795	6.586768685 Hartree
193	C8 Ryd(5s)	0.000012979	12.590204365 Hartree
194	C8 Val(2p)	0.782333460	-0.032786378 Hartree
195	C8 Ryd(3p)	0.008987203	1.227791018 Hartree
196	C8 Ryd(4p)	0.000323052	0.745110022 Hartree
197	C8 Ryd(5p)	0.000133086	3.589554940 Hartree
198	C8 Val(2p)	1.070479431	-0.055655287 Hartree
199	C8 Ryd(3p)	0.003160418	1.438826817 Hartree
200	C8 Ryd(4p)	0.000314861	0.893984057 Hartree
201	C8 Ryd(5p)	0.000254495	2.904304118 Hartree
202	C8 Val(2p)	0.962637712	-0.146121373 Hartree
203	C8 Ryd(3p)	0.000497358	0.642397242 Hartree
204	C8 Ryd(4p)	0.000390533	0.293351528 Hartree
205	C8 Ryd(5p)	0.000036479	2.655858173 Hartree
206	C8 Ryd(3d)	0.001176458	2.900423693 Hartree
207	C8 Ryd(4d)	0.000359908	3.737056774 Hartree
208	C8 Ryd(3d)	0.001789187	1.885901701 Hartree
209	C8 Ryd(4d)	0.000125561	2.704062884 Hartree
210	C8 Ryd(3d)	0.000738686	1.822508844 Hartree
211	C8 Ryd(4d)	0.000060962	2.705694894 Hartree
212	C8 Ryd(3d)	0.000912037	2.763969123 Hartree
213	C8 Ryd(4d)	0.000596239	3.744283346 Hartree
214	C8 Ryd(3d)	0.001000187	2.613778633 Hartree
215	C8 Ryd(4d)	0.000217598	3.291262079 Hartree
216	O9 Cor(1s)	1.999993754	-19.182137048 Hartree
217	O9 Val(2s)	1.654612607	-0.762517895 Hartree
218	O9 Ryd(3s)	0.000187514	2.771700685 Hartree
219	O9 Ryd(4s)	0.000040335	2.225492596 Hartree
220	O9 Ryd(5s)	0.000000709	47.378550540 Hartree
221	O9 Val(2p)	1.557258084	-0.338985218 Hartree
222	O9 Ryd(3p)	0.001186204	0.539015694 Hartree
223	O9 Ryd(4p)	0.000304423	0.958354998 Hartree
224	O9 Ryd(5p)	0.000013465	5.384137931 Hartree
225	O9 Val(2p)	1.583494994	-0.333898781 Hartree
226	O9 Ryd(3p)	0.002380349	0.770261090 Hartree
227	O9 Ryd(4p)	0.000145980	1.159279926 Hartree
228	O9 Ryd(5p)	0.000009871	5.488555130 Hartree
229	O9 Val(2p)	1.849918192	-0.345728749 Hartree
230	O9 Ryd(3p)	0.003184829	0.432362218 Hartree
231	O9 Ryd(4p)	0.000087055	0.962014988 Hartree
232	O9 Ryd(5p)	0.000004242	4.914168242 Hartree
233	O9 Ryd(3d)	0.002637048	1.983413787 Hartree
234	O9 Ryd(4d)	0.000033338	7.125873798 Hartree
235	O9 Ryd(3d)	0.002426786	1.753540951 Hartree
236	O9 Ryd(4d)	0.000022083	6.894871389 Hartree
237	O9 Ryd(3d)	0.001252775	1.561589652 Hartree
238	O9 Ryd(4d)	0.000003852	6.772307920 Hartree
239	O9 Ryd(3d)	0.005441839	2.263255784 Hartree
240	O9 Ryd(4d)	0.000030902	7.045815384 Hartree
241	O9 Ryd(3d)	0.002826402	1.887531097 Hartree
242	O9 Ryd(4d)	0.000005913	6.911722723 Hartree
243	H10 Val(1s)	0.501348061	0.101690153 Hartree
244	H10 Ryd(2s)	0.001033724	1.729803317 Hartree
245	H10 Ryd(3s)	0.000174357	1.513586541 Hartree
246	H10 Ryd(2p)	0.000368742	2.039677317 Hartree
247	H10 Ryd(2p)	0.000534788	2.855281400 Hartree
248	H10 Ryd(2p)	0.000905440	1.752756503 Hartree
249	H11 Val(1s)	0.757770257	0.050195085 Hartree
250	H11 Ryd(2s)	0.001810246	0.543691476 Hartree
251	H11 Ryd(3s)	0.000219712	2.353488823 Hartree
252	H11 Ryd(2p)	0.000357045	2.407953382 Hartree
253	H11 Ryd(2p)	0.000356429	2.391738579 Hartree
254	H11 Ryd(2p)	0.000133054	1.797769440 Hartree
255	Br12 Cor(1s)	2.000000000	-481.634561272 Hartree
256	Br12 Cor(2s)	1.999999965	-62.116614369 Hartree
257	Br12 Cor(3s)	1.999992386	-10.227506512 Hartree
258	Br12 Val(4s)	1.868594057	-0.688312113 Hartree
259	Br12 Ryd(5s)	0.001878786	1.290987459 Hartree
260	Br12 Ryd(6s)	0.000093936	2.265525821 Hartree
261	Br12 Ryd(7s)	0.000004105	8.155080685 Hartree
262	Br12 Ryd(9s)	0.000000001	960.964708049 Hartree
263	Br12 Ryd(8s)	0.000000048	104.688405231 Hartree
264	Br12 Cor(2p)	1.999999850	-53.635229551 Hartree
265	Br12 Cor(3p)	1.999999627	-9.159920347 Hartree
266	Br12 Val(4p)	1.939966918	-0.280811619 Hartree
267	Br12 Ryd(5p)	0.001434660	0.536878926 Hartree
268	Br12 Ryd(6p)	0.000058863	1.391230035 Hartree
269	Br12 Ryd(7p)	0.000012763	1.733981052 Hartree
270	Br12 Ryd(8p)	0.000001348	11.856950936 Hartree
271	Br12 Ryd(9p)	0.000000002	284.552685759 Hartree
272	Br12 Cor(2p)	1.999999720	-53.639077628 Hartree
273	Br12 Cor(3p)	1.999999079	-9.173282210 Hartree
274	Br12 Val(4p)	1.143159202	-0.230494691 Hartree
275	Br12 Ryd(5p)	0.003148302	0.624248737 Hartree
276	Br12 Ryd(6p)	0.000047473	1.646154742 Hartree
277	Br12 Ryd(7p)	0.000021493	2.102070230 Hartree
278	Br12 Ryd(8p)	0.000003370	10.962488304 Hartree
279	Br12 Ryd(9p)	0.000000007	284.645815952 Hartree
280	Br12 Cor(2p)	1.999999952	-53.635470579 Hartree
281	Br12 Cor(3p)	1.999999802	-9.160732296 Hartree
282	Br12 Val(4p)	1.916878900	-0.286437867 Hartree
283	Br12 Ryd(5p)	0.001434451	0.427176840 Hartree
284	Br12 Ryd(6p)	0.000021214	0.991808041 Hartree
285	Br12 Ryd(7p)	0.000010931	1.680976019 Hartree
286	Br12 Ryd(8p)	0.000001436	12.179159538 Hartree
287	Br12 Ryd(9p)	0.000000002	284.538191902 Hartree
288	Br12 Cor(3d)	1.999927641	-2.627200716 Hartree
289	Br12 Ryd(4d)	0.001017591	1.125746219 Hartree
290	Br12 Ryd(5d)	0.000094757	2.240870437 Hartree
291	Br12 Ryd(6d)	0.000002583	6.156494006 Hartree
292	Br12 Cor(3d)	1.999987101	-2.617429498 Hartree
293	Br12 Ryd(4d)	0.000359849	0.531129424 Hartree
294	Br12 Ryd(5d)	0.000024152	1.729117936 Hartree
295	Br12 Ryd(6d)	0.000000339	6.147836282 Hartree
296	Br12 Cor(3d)	1.999972347	-2.627781077 Hartree
297	Br12 Ryd(4d)	0.002218763	0.666953553 Hartree
298	Br12 Ryd(5d)	0.000011694	1.870329169 Hartree
299	Br12 Ryd(6d)	0.000003811	6.145452741 Hartree
300	Br12 Cor(3d)	1.999919625	-2.627327496 Hartree
301	Br12 Ryd(4d)	0.003214173	1.396854329 Hartree
302	Br12 Ryd(5d)	0.000094566	2.218466614 Hartree
303	Br12 Ryd(6d)	0.000004199	6.121263219 Hartree
304	Br12 Cor(3d)	1.999945429	-2.621159581 Hartree
305	Br12 Ryd(4d)	0.001388537	0.861341647 Hartree
306	Br12 Ryd(5d)	0.000032258	1.949105021 Hartree
307	Br12 Ryd(6d)	0.000001611	6.158639406 Hartree
308	C13 Cor(1s)	1.999984616	-10.264354434 Hartree
309	C13 Val(2s)	0.907162872	-0.133264015 Hartree
310	C13 Ryd(3s)	0.010121050	0.896052713 Hartree
311	C13 Ryd(4s)	0.000153347	14.139015166 Hartree
312	C13 Ryd(5s)	0.000022000	3.059456082 Hartree
313	C13 Val(2p)	0.962822974	-0.023152491 Hartree
314	C13 Ryd(3p)	0.005620622	1.174293181 Hartree
315	C13 Ryd(4p)	0.000174572	1.984741008 Hartree
316	C13 Ryd(5p)	0.000127542	2.894301618 Hartree
317	C13 Val(2p)	0.927339136	-0.021805453 Hartree
318	C13 Ryd(3p)	0.010942545	1.241198830 Hartree
319	C13 Ryd(4p)	0.000230701	1.903729939 Hartree
320	C13 Ryd(5p)	0.000075118	1.957633359 Hartree
321	C13 Val(2p)	0.745376592	-0.129570965 Hartree
322	C13 Ryd(3p)	0.000639867	0.721233500 Hartree
323	C13 Ryd(4p)	0.000273560	1.118963955 Hartree
324	C13 Ryd(5p)	0.000013283	1.644548485 Hartree
325	C13 Ryd(3d)	0.001388995	2.848485146 Hartree
326	C13 Ryd(4d)	0.000292195	3.066409404 Hartree
327	C13 Ryd(3d)	0.000796549	2.231247567 Hartree
328	C13 Ryd(4d)	0.000073092	2.219480278 Hartree
329	C13 Ryd(3d)	0.000914389	2.269225154 Hartree
330	C13 Ryd(4d)	0.000100163	2.095878221 Hartree
331	C13 Ryd(3d)	0.002471354	2.773021321 Hartree
332	C13 Ryd(4d)	0.000128821	3.121494472 Hartree
333	C13 Ryd(3d)	0.000521859	2.503806168 Hartree
334	C13 Ryd(4d)	0.000108940	2.679455843 Hartree
335	O14 Cor(1s)	1.999994703	-19.120672505 Hartree
336	O14 Val(2s)	1.702393822	-0.676355834 Hartree
337	O14 Ryd(3s)	0.001116977	2.702254746 Hartree
338	O14 Ryd(4s)	0.000050933	1.527368883 Hartree
339	O14 Ryd(5s)	0.000000451	47.558475961 Hartree
340	O14 Val(2p)	1.792384067	-0.271922153 Hartree
341	O14 Ryd(3p)	0.003611385	0.821919728 Hartree
342	O14 Ryd(4p)	0.000157014	1.083507514 Hartree
343	O14 Ryd(5p)	0.000007769	5.283927176 Hartree
344	O14 Val(2p)	1.648953821	-0.276628191 Hartree
345	O14 Ryd(3p)	0.001150646	0.702130926 Hartree
346	O14 Ryd(4p)	0.000209648	1.267446028 Hartree
347	O14 Ryd(5p)	0.000023654	5.586497492 Hartree
348	O14 Val(2p)	1.358508913	-0.253862694 Hartree
349	O14 Ryd(3p)	0.001056111	0.479105071 Hartree
350	O14 Ryd(4p)	0.000010180	1.051838205 Hartree
351	O14 Ryd(5p)	0.000007810	4.878447836 Hartree
352	O14 Ryd(3d)	0.005676296	2.111929976 Hartree
353	O14 Ryd(4d)	0.000017160	7.062731460 Hartree
354	O14 Ryd(3d)	0.001145953	1.655337597 Hartree
355	O14 Ryd(4d)	0.000001299	6.800562209 Hartree
356	O14 Ryd(3d)	0.003403087	1.768423293 Hartree
357	O14 Ryd(4d)	0.000009951	6.921893484 Hartree
358	O14 Ryd(3d)	0.004988950	1.991899098 Hartree
359	O14 Ryd(4d)	0.000046892	7.134432226 Hartree
360	O14 Ryd(3d)	0.001986232	1.822456918 Hartree
361	O14 Ryd(4d)	0.000001854	6.919075676 Hartree
362	H15 Val(1s)	0.896213845	-0.019840129 Hartree
363	H15 Ryd(2s)	0.002820008	0.507066624 Hartree
364	H15 Ryd(3s)	0.000097373	2.327760873 Hartree
365	H15 Ryd(2p)	0.000525501	2.225760962 Hartree
366	H15 Ryd(2p)	0.000631454	2.525318301 Hartree
367	H15 Ryd(2p)	0.000076637	1.733815815 Hartree
368	H16 Val(1s)	0.780788810	0.032298134 Hartree
369	H16 Ryd(2s)	0.002242025	0.973247762 Hartree
370	H16 Ryd(3s)	0.000273159	2.304888507 Hartree
371	H16 Ryd(2p)	0.000370917	2.422161281 Hartree
372	H16 Ryd(2p)	0.000380585	2.433915292 Hartree
373	H16 Ryd(2p)	0.000197428	1.793114766 Hartree
374	H17 Val(1s)	0.802534381	0.005466383 Hartree
375	H17 Ryd(2s)	0.000276311	0.475332050 Hartree
376	H17 Ryd(3s)	0.000022393	2.292203667 Hartree
377	H17 Ryd(2p)	0.000204786	2.094448613 Hartree
378	H17 Ryd(2p)	0.000420251	2.459193102 Hartree
379	H17 Ryd(2p)	0.000060024	1.813397952 Hartree
380	H18 Val(1s)	0.820964532	-0.007277165 Hartree
381	H18 Ryd(2s)	0.001327077	0.420919089 Hartree
382	H18 Ryd(3s)	0.000050511	2.319561648 Hartree
383	H18 Ryd(2p)	0.000195855	2.133095188 Hartree
384	H18 Ryd(2p)	0.000064843	1.931886395 Hartree
385	H18 Ryd(2p)	0.000391800	2.358763675 Hartree
386	H19 Val(1s)	0.820964532	-0.007277165 Hartree
387	H19 Ryd(2s)	0.001327077	0.420919089 Hartree
388	H19 Ryd(3s)	0.000050511	2.319561648 Hartree
389	H19 Ryd(2p)	0.000195855	2.133095188 Hartree
390	H19 Ryd(2p)	0.000064843	1.931886395 Hartree
391	H19 Ryd(2p)	0.000391800	2.358763675 Hartree
392			********** Hartree

Natural Hybrid Orbitals

Display Range		- / 392
Orbital	Description	Occupancy	Energy	Actions
1	CR(1)C1 s(100.00%)	1.999984726	-10.253993268 Hartree
2	CR(1)O2 s(100.00%)	1.999993407	-19.193167944 Hartree
3	CR(1)C3 s(100.00%)	1.999984280	-10.261878459 Hartree
4	CR(1)C4 s(100.00%)	1.999984275	-10.209241565 Hartree
5	CR(1)C5 s(100.00%)	1.999985880	-10.206409857 Hartree
6	CR(1)C6 s(100.00%)	1.999984699	-10.249354804 Hartree
7	CR(1)C7 s(100.00%)	1.999985469	-10.198787219 Hartree
8	CR(1)C8 s(100.00%)	1.999985219	-10.267452942 Hartree
9	CR(1)O9 s(100.00%)	1.999993754	-19.182137048 Hartree
10	CR(1)Br12 s(100.00%)	2.000000000	-481.634561272 Hartree
11	CR(2)Br12 s(100.00%)	1.999999965	-62.116614369 Hartree
12	CR(3)Br12 s(100.00%)	1.999992386	-10.227506512 Hartree
13	CR(4)Br12 s(0.00%)p1.00(100.00%)	1.999999850	-53.635229551 Hartree
14	CR(5)Br12 s(0.00%)p1.00(100.00%)	1.999999627	-9.159920347 Hartree
15	CR(6)Br12 s(0.00%)p1.00(100.00%)	1.999999720	-53.639077628 Hartree
16	CR(7)Br12 s(0.00%)p1.00(100.00%)	1.999999079	-9.173282210 Hartree
17	CR(8)Br12 s(0.00%)p1.00(100.00%)	1.999999952	-53.635470579 Hartree
18	CR(9)Br12 s(0.00%)p1.00(100.00%)	1.999999802	-9.160732296 Hartree
19	CR(10)Br12 s(0.00%)p0.00(0.00%)d1.00(100.00%)	1.999927641	-2.627200716 Hartree
20	CR(11)Br12 s(0.00%)p0.00(0.00%)d1.00(100.00%)	1.999987101	-2.617429498 Hartree
21	CR(12)Br12 s(0.00%)p0.00(0.00%)d1.00(100.00%)	1.999972347	-2.627781077 Hartree
22	CR(13)Br12 s(0.00%)p0.00(0.00%)d1.00(100.00%)	1.999919625	-2.627327496 Hartree
23	CR(14)Br12 s(0.00%)p0.00(0.00%)d1.00(100.00%)	1.999945429	-2.621159581 Hartree
24	CR(1)C13 s(100.00%)	1.999984616	-10.264354434 Hartree
25	CR(1)O14 s(100.00%)	1.999994703	-19.120672505 Hartree
26	LP(1)O2 s(38.50%)p1.60(61.42%)d0.00(0.08%)	1.960684477	-0.529713105 Hartree
27	LP(2)O2 s(0.00%)p1.00(99.90%)d0.00(0.10%)	1.862063502	-0.353308861 Hartree
28	LP(1)O9 s(44.82%)p1.23(55.06%)d0.00(0.12%)	1.978823115	-0.549176385 Hartree
29	LP(2)O9 s(0.00%)p1.00(99.81%)d0.00(0.19%)	1.853994900	-0.348353761 Hartree
30	LP(1)Br12 s(87.05%)p0.15(12.95%)d0.00(0.01%)	1.994420841	-0.666684026 Hartree
31	LP(2)Br12 s(0.44%)p99.99(99.54%)d0.05(0.02%)	1.973218894	-0.285836430 Hartree
32	LP(3)Br12 s(0.00%)p1.00(99.98%)d0.00(0.02%)	1.917751633	-0.286582008 Hartree
33	LP(1)O14 s(58.65%)p0.70(41.27%)d0.00(0.09%)	1.985001102	-0.565180437 Hartree
34	LP(2)O14 s(0.00%)p1.00(99.75%)d0.00(0.24%)	1.869208972	-0.271218923 Hartree
35	BD(1)C1(O2) 1s(20.88%)p3.78(78.91%)d0.01(0.21%)	0.619014294	-0.068345444 Hartree
36	BD(1)O2(C1) 2s(28.75%)p2.47(71.07%)d0.01(0.18%)	1.381774154	-0.451283825 Hartree
37	BD(1)C1(H17) 1s(25.82%)p2.87(74.08%)d0.00(0.09%)	1.196975695	-0.169711925 Hartree
38	BD(1)H17(C1) 17s(99.93%)p0.00(0.07%)	0.803095324	0.006400816 Hartree
39	BD(1)C1(H18) 1s(26.72%)p2.74(73.18%)d0.00(0.10%)	1.191085104	-0.176755068 Hartree
40	BD(1)H18(C1) 18s(99.94%)p0.00(0.06%)	0.821434270	-0.005251881 Hartree
41	BD(1)C1(H19) 1s(26.72%)p2.74(73.18%)d0.00(0.10%)	1.191085104	-0.176755068 Hartree
42	BD(1)H19(C1) 19s(99.94%)p0.00(0.06%)	0.821434270	-0.005251881 Hartree
43	BD(1)O2(C3) 2s(32.75%)p2.05(67.06%)d0.01(0.19%)	1.355518083	-0.454866182 Hartree
44	BD(1)C3(O2) 3s(25.27%)p2.95(74.59%)d0.01(0.14%)	0.663364299	-0.044261395 Hartree
45	BD(1)C3(C4) 3s(39.93%)p1.50(60.00%)d0.00(0.07%)	1.014381738	-0.055712484 Hartree
46	BD(1)C4(C3) 4s(35.31%)p1.83(64.53%)d0.00(0.16%)	0.986753500	-0.038753881 Hartree
47	BD(2)C3(C4) 3s(0.00%)p1.00(99.95%)d0.00(0.05%)	1.044656604	-0.151758200 Hartree
48	BD(2)C4(C3) 4s(0.00%)p1.00(99.94%)d0.00(0.06%)	1.036021498	-0.145485105 Hartree
49	BD(1)C3(C8) 3s(34.53%)p1.89(65.38%)d0.00(0.09%)	1.007915821	-0.065654437 Hartree
50	BD(1)C8(C3) 8s(35.82%)p1.79(64.09%)d0.00(0.09%)	1.000746903	-0.066504035 Hartree
51	BD(1)C4(C5) 4s(36.19%)p1.76(63.67%)d0.00(0.14%)	0.975033933	-0.039003567 Hartree
52	BD(1)C5(C4) 5s(33.27%)p2.00(66.62%)d0.00(0.10%)	1.004468725	-0.050342356 Hartree
53	BD(1)C4(H16) 4s(28.23%)p2.54(71.71%)d0.00(0.06%)	1.209513086	-0.143711975 Hartree
54	BD(1)H16(C4) 16s(99.93%)p0.00(0.07%)	0.781374446	0.035528623 Hartree
55	BD(1)C5(C6) 5s(35.80%)p1.79(64.13%)d0.00(0.08%)	1.024504836	-0.051680677 Hartree
56	BD(1)C6(C5) 6s(39.05%)p1.56(60.85%)d0.00(0.10%)	0.985116913	-0.035868686 Hartree
57	BD(2)C5(C6) 5s(0.00%)p1.00(99.99%)d0.00(0.01%)	1.077815308	-0.132212592 Hartree
58	BD(2)C6(C5) 6s(0.00%)p1.00(99.98%)d0.00(0.02%)	1.039449857	-0.153520991 Hartree
59	BD(1)C5(C13) 5s(30.84%)p2.24(69.10%)d0.00(0.06%)	1.089494114	-0.102331612 Hartree
60	BD(1)C13(C5) 13s(37.17%)p1.69(62.75%)d0.00(0.08%)	0.954440673	-0.062548507 Hartree
61	BD(1)C6(C7) 6s(38.27%)p1.61(61.61%)d0.00(0.11%)	0.994228347	-0.044378321 Hartree
62	BD(1)C7(C6) 7s(36.79%)p1.71(63.08%)d0.00(0.13%)	1.002205496	-0.038757304 Hartree
63	BD(1)C6(Br12) 6s(22.48%)p3.43(77.14%)d0.02(0.38%)	1.022341573	-0.230393886 Hartree
64	BD(1)Br12(C6) 12s(12.62%)p6.89(86.94%)d0.03(0.44%)	0.993609687	-0.229456358 Hartree
65	BD(1)C7(C8) 7s(34.38%)p1.90(65.47%)d0.00(0.15%)	0.983471098	-0.036426797 Hartree
66	BD(1)C8(C7) 8s(38.07%)p1.63(61.87%)d0.00(0.05%)	1.008128464	-0.055191852 Hartree
67	BD(2)C7(C8) 7s(0.00%)p1.00(99.91%)d0.00(0.09%)	1.037150775	-0.135808668 Hartree
68	BD(2)C8(C7) 8s(0.00%)p1.00(99.93%)d0.00(0.07%)	0.963220297	-0.146641350 Hartree
69	BD(1)C7(H11) 7s(28.71%)p2.48(71.24%)d0.00(0.05%)	1.231759799	-0.144228366 Hartree
70	BD(1)H11(C7) 11s(99.94%)p0.00(0.06%)	0.758267384	0.052601725 Hartree
71	BD(1)C8(O9) 8s(25.80%)p2.87(74.06%)d0.01(0.14%)	0.679560006	-0.050356133 Hartree
72	BD(1)O9(C8) 9s(33.91%)p1.94(65.83%)d0.01(0.26%)	1.331534891	-0.444853508 Hartree
73	BD(1)O9(H10) 9s(21.20%)p3.70(78.48%)d0.02(0.33%)	1.497389815	-0.441370587 Hartree
74	BD(1)H10(O9) 10s(99.90%)p0.00(0.10%)	0.501774169	0.111526924 Hartree
75	BD(1)C13(O14) 13s(33.25%)p2.00(66.61%)d0.00(0.14%)	0.696059572	0.082327361 Hartree
76	BD(1)O14(C13) 14s(41.34%)p1.41(58.17%)d0.01(0.49%)	1.303698553	-0.385318773 Hartree
77	BD(2)C13(O14) 13s(0.00%)p1.00(99.86%)d0.00(0.14%)	0.746438179	-0.128614194 Hartree
78	BD(2)O14(C13) 14s(0.00%)p1.00(99.67%)d0.00(0.33%)	1.363195870	-0.255506069 Hartree
79	BD(1)C13(H15) 13s(29.93%)p2.34(69.99%)d0.00(0.08%)	1.159960804	-0.154420334 Hartree
80	BD(1)H15(C13) 15s(99.91%)p0.00(0.09%)	0.897041142	-0.014107132 Hartree
81	RY(1)C1 s(25.45%)p2.08(52.85%)d0.85(21.70%)	0.002391101	1.287387512 Hartree
82	RY(2)C1 s(0.17%)p99.99(95.64%)d24.41(4.19%)	0.001390146	0.927625885 Hartree
83	RY(3)C1 s(0.00%)p1.00(17.29%)d4.78(82.71%)	0.001203682	1.481457381 Hartree
84	RY(4)C1 s(0.00%)p1.00(75.18%)d0.33(24.82%)	0.000202203	0.915868113 Hartree
85	RY(5)C1 s(3.86%)p10.42(40.17%)d14.52(55.98%)	0.000186129	2.396319085 Hartree
86	RY(6)C1 s(9.08%)p2.01(18.29%)d8.00(72.63%)	0.000103808	1.867864182 Hartree
87	RY(7)C1 s(0.00%)p1.00(22.70%)d3.41(77.30%)	0.000036898	1.286401397 Hartree
88	RY(8)C1 s(1.54%)p29.00(44.68%)d34.90(53.78%)	0.000033939	1.394324414 Hartree
89	RY(9)C1 s(49.26%)p0.39(19.45%)d0.64(31.29%)	0.000013546	1.321941384 Hartree
90	RY(10)C1 s(21.71%)p2.42(52.60%)d1.18(25.70%)	0.000008375	2.457345016 Hartree
91	RY(11)C1 s(0.00%)p1.00(77.76%)d0.29(22.24%)	0.000004334	2.354316569 Hartree
92	RY(12)C1 s(19.95%)p1.95(38.88%)d2.06(41.17%)	0.000004894	3.487861336 Hartree
93	RY(13)C1 s(26.06%)p1.77(46.19%)d1.06(27.75%)	0.000003221	1.363359059 Hartree
94	RY(14)C1 s(17.65%)p2.01(35.49%)d2.65(46.86%)	0.000002701	1.314546116 Hartree
95	RY(15)C1 s(26.36%)p1.92(50.51%)d0.88(23.14%)	0.000000331	3.108813306 Hartree
96	RY(16)C1 s(0.00%)p1.00(69.45%)d0.44(30.55%)	0.000000349	1.274431909 Hartree
97	RY(17)C1 s(9.40%)p1.18(11.10%)d8.46(79.50%)	0.000000237	3.011760117 Hartree
98	RY(18)C1 s(76.19%)p0.22(16.89%)d0.09(6.92%)	0.000000674	17.240316390 Hartree
99	RY(19)C1 s(11.24%)p4.71(52.89%)d3.19(35.87%)	0.000001269	3.364003315 Hartree
100	RY(20)C1 s(0.00%)p1.00(32.32%)d2.09(67.68%)	0.000000035	2.219135383 Hartree
101	RY(21)C1 s(0.00%)p1.00(5.42%)d17.44(94.58%)	0.000000001	3.378831416 Hartree
102	RY(22)C1 s(1.94%)p12.84(24.90%)d37.71(73.16%)	0.000000053	2.999867596 Hartree
103	RY(1)O2 s(0.00%)p1.00(98.27%)d0.02(1.73%)	0.005065933	0.517967726 Hartree
104	RY(2)O2 s(6.99%)p12.79(89.43%)d0.51(3.58%)	0.003681451	0.753555530 Hartree
105	RY(3)O2 s(16.82%)p4.09(68.84%)d0.85(14.33%)	0.000958653	1.275775669 Hartree
106	RY(4)O2 s(17.84%)p4.37(77.93%)d0.24(4.23%)	0.000338588	1.425590995 Hartree
107	RY(5)O2 s(32.05%)p0.61(19.60%)d1.51(48.35%)	0.000192801	2.499021626 Hartree
108	RY(6)O2 s(13.89%)p5.66(78.60%)d0.54(7.51%)	0.000154248	1.823640979 Hartree
109	RY(7)O2 s(0.00%)p1.00(3.18%)d30.48(96.82%)	0.000147901	3.515020202 Hartree
110	RY(8)O2 s(0.00%)p1.00(82.21%)d0.22(17.79%)	0.000106426	1.112436252 Hartree
111	RY(9)O2 s(4.08%)p2.87(11.70%)d20.65(84.23%)	0.000064289	2.505607990 Hartree
112	RY(10)O2 s(30.86%)p0.58(17.78%)d1.66(51.36%)	0.000044576	1.740449045 Hartree
113	RY(11)O2 s(60.16%)p0.36(21.86%)d0.30(17.98%)	0.000022070	1.990796337 Hartree
114	RY(12)O2 s(0.00%)p1.00(12.78%)d6.82(87.22%)	0.000022330	1.677671333 Hartree
115	RY(13)O2 s(5.15%)p3.06(15.79%)d15.34(79.06%)	0.000010798	2.194252154 Hartree
116	RY(14)O2 s(4.64%)p13.17(61.11%)d7.38(34.25%)	0.000004579	5.244582190 Hartree
117	RY(15)O2 s(0.21%)p99.99(92.86%)d33.64(6.94%)	0.000001511	4.890258437 Hartree
118	RY(16)O2 s(6.49%)p5.35(34.70%)d9.06(58.81%)	0.000001048	7.754332868 Hartree
119	RY(17)O2 s(0.00%)p1.00(17.19%)d4.82(82.81%)	0.000000000	6.375818591 Hartree
120	RY(18)O2 s(0.00%)p1.00(3.77%)d25.54(96.23%)	0.000000710	5.416366936 Hartree
121	RY(19)O2 s(0.00%)p1.00(82.71%)d0.21(17.29%)	0.000000016	5.030899235 Hartree
122	RY(20)O2 s(8.00%)p0.84(6.70%)d10.66(85.29%)	0.000000317	7.390367482 Hartree
123	RY(21)O2 s(82.60%)p0.02(2.03%)d0.19(15.37%)	0.000000019	42.019421325 Hartree
124	RY(22)O2 s(10.22%)p0.15(1.53%)d8.64(88.25%)	0.000000076	10.849744498 Hartree
125	RY(1)C3 s(0.96%)p98.14(94.14%)d5.11(4.90%)	0.005383418	1.390906620 Hartree
126	RY(2)C3 s(0.36%)p99.99(90.35%)d25.90(9.29%)	0.003381643	1.687342194 Hartree
127	RY(3)C3 s(0.00%)p1.00(1.98%)d49.56(98.02%)	0.001518323	1.846689857 Hartree
128	RY(4)C3 s(48.72%)p0.22(10.71%)d0.83(40.57%)	0.001318673	1.663900985 Hartree
129	RY(5)C3 s(0.00%)p1.00(44.55%)d1.24(55.45%)	0.000795566	1.350692289 Hartree
130	RY(6)C3 s(27.24%)p0.65(17.71%)d2.02(55.04%)	0.000611079	4.112009706 Hartree
131	RY(7)C3 s(0.00%)p1.00(65.90%)d0.52(34.10%)	0.000383690	1.148596840 Hartree
132	RY(8)C3 s(5.83%)p4.81(28.06%)d11.33(66.10%)	0.000281592	2.272532686 Hartree
133	RY(9)C3 s(17.68%)p1.71(30.28%)d2.94(52.05%)	0.000259151	2.921446296 Hartree
134	RY(10)C3 s(14.89%)p4.45(66.22%)d1.27(18.89%)	0.000159164	3.113332855 Hartree
135	RY(11)C3 s(3.31%)p18.57(61.46%)d10.64(35.23%)	0.000106343	2.114162433 Hartree
136	RY(12)C3 s(0.00%)p1.00(7.41%)d12.50(92.59%)	0.000088129	2.039369463 Hartree
137	RY(13)C3 s(49.33%)p0.18(9.11%)d0.84(41.56%)	0.000080618	2.697322168 Hartree
138	RY(14)C3 s(1.32%)p37.15(48.99%)d37.68(49.69%)	0.000041972	2.892197119 Hartree
139	RY(15)C3 s(0.00%)p1.00(19.05%)d4.25(80.95%)	0.000032302	2.219954946 Hartree
140	RY(16)C3 s(12.84%)p3.20(41.13%)d3.58(46.03%)	0.000028975	3.361076385 Hartree
141	RY(17)C3 s(66.25%)p0.31(20.25%)d0.20(13.50%)	0.000016080	12.498098686 Hartree
142	RY(18)C3 s(27.61%)p2.30(63.59%)d0.32(8.79%)	0.000010909	5.732807266 Hartree
143	RY(19)C3 s(23.67%)p0.65(15.33%)d2.58(61.00%)	0.000008019	3.047376780 Hartree
144	RY(20)C3 s(0.00%)p1.00(73.38%)d0.36(26.62%)	0.000002292	1.726102057 Hartree
145	RY(21)C3 s(0.27%)p10.05(2.69%)d99.99(97.04%)	0.000001882	3.552660514 Hartree
146	RY(22)C3 s(0.00%)p1.00(87.78%)d0.14(12.22%)	0.000000038	2.487666207 Hartree
147	RY(1)C4 s(0.24%)p99.99(94.21%)d23.42(5.55%)	0.004546637	1.597627573 Hartree
148	RY(2)C4 s(2.24%)p42.21(94.46%)d1.48(3.30%)	0.001843647	1.108994667 Hartree
149	RY(3)C4 s(0.00%)p1.00(83.42%)d0.20(16.58%)	0.001063568	0.523531245 Hartree
150	RY(4)C4 s(0.00%)p1.00(8.61%)d10.62(91.39%)	0.000852162	1.592683021 Hartree
151	RY(5)C4 s(29.00%)p1.40(40.59%)d1.05(30.42%)	0.000392561	1.413840019 Hartree
152	RY(6)C4 s(2.41%)p14.80(35.60%)d25.76(61.99%)	0.000337462	2.936536719 Hartree
153	RY(7)C4 s(38.09%)p0.70(26.82%)d0.92(35.09%)	0.000258748	1.222124863 Hartree
154	RY(8)C4 s(0.00%)p1.00(9.41%)d9.63(90.59%)	0.000231437	1.048818083 Hartree
155	RY(9)C4 s(1.89%)p28.05(52.89%)d23.99(45.23%)	0.000189944	3.110816583 Hartree
156	RY(10)C4 s(5.71%)p9.99(57.05%)d6.52(37.24%)	0.000144964	1.363443244 Hartree
157	RY(11)C4 s(9.64%)p3.86(37.22%)d5.51(53.14%)	0.000046398	3.553398333 Hartree
158	RY(12)C4 s(7.36%)p9.60(70.64%)d2.99(22.00%)	0.000042175	3.583957034 Hartree
159	RY(13)C4 s(16.01%)p0.93(14.86%)d4.32(69.13%)	0.000017615	3.200849328 Hartree
160	RY(14)C4 s(0.00%)p1.00(80.28%)d0.25(19.72%)	0.000014936	0.986371587 Hartree
161	RY(15)C4 s(0.44%)p86.55(37.69%)d99.99(61.87%)	0.000013435	3.416274696 Hartree
162	RY(16)C4 s(0.00%)p1.00(28.63%)d2.49(71.37%)	0.000006984	2.433918232 Hartree
163	RY(17)C4 s(2.36%)p8.84(20.83%)d32.59(76.82%)	0.000006676	4.080864171 Hartree
164	RY(18)C4 s(74.86%)p0.09(6.73%)d0.25(18.41%)	0.000002440	14.846185898 Hartree
165	RY(19)C4 s(0.00%)p1.00(76.61%)d0.31(23.39%)	0.000000778	2.692270390 Hartree
166	RY(20)C4 s(0.00%)p1.00(13.10%)d6.64(86.90%)	0.000000079	3.255246453 Hartree
167	RY(21)C4 s(10.04%)p1.05(10.51%)d7.92(79.45%)	0.000001076	5.515594031 Hartree
168	RY(1)C5 s(1.45%)p65.22(94.73%)d2.63(3.81%)	0.007531132	1.296431314 Hartree
169	RY(2)C5 s(3.19%)p27.99(89.19%)d2.39(7.62%)	0.003242637	1.796977653 Hartree
170	RY(3)C5 s(0.00%)p1.00(80.07%)d0.25(19.93%)	0.001255903	0.788578399 Hartree
171	RY(4)C5 s(64.43%)p0.27(17.51%)d0.28(18.05%)	0.000978507	1.453564206 Hartree
172	RY(5)C5 s(25.95%)p1.15(29.88%)d1.70(44.17%)	0.000621226	2.702861218 Hartree
173	RY(6)C5 s(5.49%)p13.17(72.28%)d4.05(22.23%)	0.000493929	2.606141583 Hartree
174	RY(7)C5 s(0.00%)p1.00(4.99%)d19.03(95.01%)	0.000468077	2.054614542 Hartree
175	RY(8)C5 s(0.00%)p1.00(13.66%)d6.32(86.34%)	0.000362096	1.758982860 Hartree
176	RY(9)C5 s(22.46%)p1.51(33.93%)d1.94(43.61%)	0.000188700	3.634144212 Hartree
177	RY(10)C5 s(8.46%)p1.87(15.80%)d8.95(75.74%)	0.000151050	4.074839943 Hartree
178	RY(11)C5 s(32.53%)p0.44(14.17%)d1.64(53.30%)	0.000132359	4.320336518 Hartree
179	RY(12)C5 s(0.00%)p1.00(2.45%)d39.86(97.55%)	0.000059830	2.987806213 Hartree
180	RY(13)C5 s(7.23%)p2.80(20.23%)d10.03(72.54%)	0.000053758	2.502857074 Hartree
181	RY(14)C5 s(20.31%)p2.28(46.34%)d1.64(33.35%)	0.000046869	3.548860616 Hartree
182	RY(15)C5 s(7.38%)p2.01(14.83%)d10.53(77.78%)	0.000026255	3.061504792 Hartree
183	RY(16)C5 s(22.17%)p2.15(47.74%)d1.36(30.10%)	0.000012783	4.573532452 Hartree
184	RY(17)C5 s(0.00%)p1.00(84.84%)d0.18(15.16%)	0.000008073	0.701336900 Hartree
185	RY(18)C5 s(55.61%)p0.42(23.37%)d0.38(21.02%)	0.000004487	7.328863958 Hartree
186	RY(19)C5 s(0.00%)p1.00(14.56%)d5.87(85.44%)	0.000002543	1.938003761 Hartree
187	RY(20)C5 s(13.90%)p5.55(77.09%)d0.65(9.01%)	0.000003483	3.044370492 Hartree
188	RY(21)C5 s(9.53%)p0.32(3.05%)d9.18(87.43%)	0.000001169	4.930591744 Hartree
189	RY(22)C5 s(0.00%)p1.00(99.43%)d0.01(0.57%)	0.000000102	2.576215568 Hartree
190	RY(1)C6 s(1.20%)p77.49(92.66%)d5.14(6.14%)	0.006356648	1.226094625 Hartree
191	RY(2)C6 s(0.29%)p99.99(86.51%)d45.14(13.20%)	0.005442121	0.760763443 Hartree
192	RY(3)C6 s(0.00%)p1.00(48.32%)d1.07(51.68%)	0.003153069	0.785880754 Hartree
193	RY(4)C6 s(0.00%)p1.00(16.89%)d4.92(83.11%)	0.000966790	1.615295146 Hartree
194	RY(5)C6 s(14.00%)p1.38(19.27%)d4.77(66.74%)	0.000838372	2.118662054 Hartree
195	RY(6)C6 s(56.81%)p0.13(7.66%)d0.63(35.53%)	0.000456453	3.192924561 Hartree
196	RY(7)C6 s(17.14%)p0.92(15.83%)d3.91(67.04%)	0.000275835	2.700341351 Hartree
197	RY(8)C6 s(8.49%)p4.03(34.18%)d6.75(57.33%)	0.000217843	3.798596477 Hartree
198	RY(9)C6 s(5.56%)p12.34(68.63%)d4.64(25.81%)	0.000154592	1.601297682 Hartree
199	RY(10)C6 s(30.54%)p0.57(17.31%)d1.71(52.14%)	0.000098333	2.634355390 Hartree
200	RY(11)C6 s(30.86%)p1.12(34.63%)d1.12(34.51%)	0.000083312	2.565275250 Hartree
201	RY(12)C6 s(27.89%)p1.38(38.38%)d1.21(33.73%)	0.000061712	1.867733556 Hartree
202	RY(13)C6 s(5.71%)p6.51(37.17%)d10.01(57.12%)	0.000048194	4.863476631 Hartree
203	RY(14)C6 s(0.00%)p1.00(45.40%)d1.20(54.60%)	0.000044911	1.475695258 Hartree
204	RY(15)C6 s(3.84%)p23.10(88.64%)d1.96(7.52%)	0.000016431	3.344410472 Hartree
205	RY(16)C6 s(0.00%)p1.00(41.46%)d1.41(58.54%)	0.000012378	2.246974259 Hartree
206	RY(17)C6 s(13.00%)p2.64(34.31%)d4.05(52.69%)	0.000005671	4.764528355 Hartree
207	RY(18)C6 s(0.00%)p1.00(15.30%)d5.54(84.70%)	0.000003987	1.912913740 Hartree
208	RY(19)C6 s(1.91%)p7.37(14.10%)d43.88(83.99%)	0.000002685	3.526229726 Hartree
209	RY(20)C6 s(0.00%)p1.00(76.99%)d0.30(23.01%)	0.000000044	2.907492487 Hartree
210	RY(21)C6 s(82.97%)p0.13(11.10%)d0.07(5.92%)	0.000000604	15.201212717 Hartree
211	RY(22)C6 s(0.00%)p1.00(55.67%)d0.80(44.33%)	0.000000482	1.742433782 Hartree
212	RY(1)C7 s(7.47%)p11.57(86.50%)d0.81(6.02%)	0.005626513	1.235252620 Hartree
213	RY(2)C7 s(0.06%)p99.99(97.67%)d38.67(2.27%)	0.003796943	0.909467007 Hartree
214	RY(3)C7 s(0.00%)p1.00(82.23%)d0.22(17.77%)	0.001237975	0.761254786 Hartree
215	RY(4)C7 s(41.91%)p0.21(8.65%)d1.18(49.44%)	0.000733285	1.823003052 Hartree
216	RY(5)C7 s(31.60%)p0.71(22.56%)d1.45(45.84%)	0.000586636	1.442709199 Hartree
217	RY(6)C7 s(0.00%)p1.00(17.09%)d4.85(82.91%)	0.000459155	1.179069921 Hartree
218	RY(7)C7 s(1.41%)p41.75(59.03%)d27.97(39.56%)	0.000270629	3.141989448 Hartree
219	RY(8)C7 s(0.00%)p1.00(9.18%)d9.89(90.82%)	0.000252802	1.673643704 Hartree
220	RY(9)C7 s(24.18%)p1.57(37.94%)d1.57(37.88%)	0.000097546	3.666971671 Hartree
221	RY(10)C7 s(20.68%)p3.49(72.13%)d0.35(7.19%)	0.000077355	3.125800936 Hartree
222	RY(11)C7 s(41.42%)p0.89(37.03%)d0.52(21.54%)	0.000047649	3.354583587 Hartree
223	RY(12)C7 s(0.00%)p1.00(58.08%)d0.72(41.92%)	0.000029531	0.999075349 Hartree
224	RY(13)C7 s(6.25%)p3.95(24.74%)d11.03(69.01%)	0.000026185	3.333081655 Hartree
225	RY(14)C7 s(26.69%)p0.40(10.78%)d2.34(62.54%)	0.000012809	5.694579981 Hartree
226	RY(15)C7 s(12.72%)p4.58(58.19%)d2.29(29.09%)	0.000010974	2.167879977 Hartree
227	RY(16)C7 s(0.00%)p1.00(32.73%)d2.06(67.27%)	0.000005644	1.652838058 Hartree
228	RY(17)C7 s(65.39%)p0.18(11.53%)d0.35(23.09%)	0.000005438	7.959457592 Hartree
229	RY(18)C7 s(1.82%)p16.83(30.61%)d37.15(67.57%)	0.000002304	3.638061066 Hartree
230	RY(19)C7 s(11.33%)p1.27(14.34%)d6.56(74.33%)	0.000001555	5.442680003 Hartree
231	RY(20)C7 s(0.00%)p1.00(99.35%)d0.01(0.65%)	0.000000246	2.785947440 Hartree
232	RY(21)C7 s(0.00%)p1.00(1.42%)d69.64(98.58%)	0.000000112	3.344738749 Hartree
233	RY(22)C7 s(7.18%)p3.97(28.52%)d8.96(64.31%)	0.000000982	4.262186885 Hartree
234	RY(1)C8 s(2.53%)p37.58(94.93%)d1.01(2.54%)	0.006360440	1.187938691 Hartree
235	RY(2)C8 s(5.64%)p15.61(88.08%)d1.11(6.27%)	0.003431465	1.536309603 Hartree
236	RY(3)C8 s(0.00%)p1.00(2.23%)d43.88(97.77%)	0.002027241	1.680072549 Hartree
237	RY(4)C8 s(18.25%)p0.99(18.01%)d3.49(63.74%)	0.001438879	2.229332678 Hartree
238	RY(5)C8 s(0.00%)p1.00(24.20%)d3.13(75.80%)	0.000783757	1.614262297 Hartree
239	RY(6)C8 s(29.38%)p1.02(30.09%)d1.38(40.53%)	0.000629052	1.939305152 Hartree
240	RY(7)C8 s(19.57%)p0.83(16.20%)d3.28(64.23%)	0.000388554	3.524944675 Hartree
241	RY(8)C8 s(22.96%)p2.00(45.88%)d1.36(31.17%)	0.000346629	3.643395850 Hartree
242	RY(9)C8 s(1.74%)p6.78(11.80%)d49.65(86.46%)	0.000191898	3.565892280 Hartree
243	RY(10)C8 s(0.00%)p1.00(85.94%)d0.16(14.06%)	0.000181190	0.897375373 Hartree
244	RY(11)C8 s(42.22%)p1.29(54.36%)d0.08(3.42%)	0.000125037	3.579601850 Hartree
245	RY(12)C8 s(18.41%)p2.90(53.35%)d1.53(28.24%)	0.000053341	2.362922337 Hartree
246	RY(13)C8 s(0.00%)p1.00(18.99%)d4.27(81.01%)	0.000053586	2.426107828 Hartree
247	RY(14)C8 s(4.83%)p13.95(67.33%)d5.77(27.84%)	0.000028077	1.871402378 Hartree
248	RY(15)C8 s(18.70%)p2.00(37.45%)d2.35(43.85%)	0.000021471	3.528783126 Hartree
249	RY(16)C8 s(5.88%)p7.37(43.28%)d8.65(50.84%)	0.000012799	2.969201159 Hartree
250	RY(17)C8 s(0.00%)p1.00(64.37%)d0.55(35.63%)	0.000008875	0.856662834 Hartree
251	RY(18)C8 s(37.42%)p0.48(18.10%)d1.19(44.48%)	0.000006232	6.121417127 Hartree
252	RY(19)C8 s(66.81%)p0.20(13.46%)d0.30(19.73%)	0.000002830	7.943430847 Hartree
253	RY(20)C8 s(0.00%)p1.00(83.97%)d0.19(16.03%)	0.000001440	2.703579420 Hartree
254	RY(21)C8 s(5.99%)p1.28(7.64%)d14.43(86.38%)	0.000001667	4.361612472 Hartree
255	RY(22)C8 s(0.00%)p1.00(20.37%)d3.91(79.63%)	0.000000094	2.532234943 Hartree
256	RY(1)O9 s(0.00%)p1.00(95.01%)d0.05(4.99%)	0.002770765	0.556218929 Hartree
257	RY(2)O9 s(2.12%)p45.08(95.44%)d1.15(2.44%)	0.002050675	0.849937943 Hartree
258	RY(3)O9 s(0.32%)p99.99(83.51%)d51.28(16.18%)	0.000411117	0.706845949 Hartree
259	RY(4)O9 s(42.74%)p0.82(34.91%)d0.52(22.35%)	0.000179621	1.989455569 Hartree
260	RY(5)O9 s(7.08%)p2.25(15.93%)d10.87(76.99%)	0.000095189	2.210735441 Hartree
261	RY(6)O9 s(0.00%)p1.00(54.08%)d0.85(45.92%)	0.000079046	1.167249697 Hartree
262	RY(7)O9 s(3.86%)p14.37(55.42%)d10.55(40.72%)	0.000066925	2.012560082 Hartree
263	RY(8)O9 s(0.00%)p1.00(37.53%)d1.66(62.47%)	0.000052055	1.555922000 Hartree
264	RY(9)O9 s(17.05%)p2.36(40.27%)d2.50(42.68%)	0.000028341	1.519303372 Hartree
265	RY(10)O9 s(35.34%)p1.14(40.38%)d0.69(24.28%)	0.000012971	1.675348456 Hartree
266	RY(11)O9 s(19.04%)p0.49(9.28%)d3.77(71.68%)	0.000008526	2.213880595 Hartree
267	RY(12)O9 s(58.97%)p0.60(35.62%)d0.09(5.41%)	0.000004952	2.182812648 Hartree
268	RY(13)O9 s(0.00%)p1.00(11.09%)d8.02(88.91%)	0.000002831	1.964001158 Hartree
269	RY(14)O9 s(0.00%)p1.00(96.21%)d0.04(3.79%)	0.000000009	4.847581526 Hartree
270	RY(15)O9 s(86.72%)p0.03(2.54%)d0.12(10.74%)	0.000000058	42.517106354 Hartree
271	RY(16)O9 s(5.04%)p4.13(20.79%)d14.72(74.17%)	0.000000673	7.078810916 Hartree
272	RY(17)O9 s(0.00%)p1.00(5.41%)d17.49(94.59%)	0.000000209	6.505384327 Hartree
273	RY(18)O9 s(2.40%)p32.55(78.28%)d8.03(19.32%)	0.000001100	5.721734864 Hartree
274	RY(19)O9 s(10.05%)p7.62(76.58%)d1.33(13.38%)	0.000001815	6.196830416 Hartree
275	RY(20)O9 s(0.00%)p1.00(0.85%)d99.99(99.15%)	0.000000000	6.697122734 Hartree
276	RY(21)O9 s(0.79%)p10.32(8.14%)d99.99(91.07%)	0.000000177	6.832583263 Hartree
277	RY(22)O9 s(8.55%)p0.41(3.55%)d10.28(87.90%)	0.000000017	10.185013883 Hartree
278	RY(1)H10 s(88.77%)p0.13(11.23%)	0.001153292	1.687015928 Hartree
279	RY(2)H10 s(0.00%)p1.00(100.00%)	0.000905440	1.752756503 Hartree
280	RY(3)H10 s(17.92%)p4.58(82.08%)	0.000341217	2.025896647 Hartree
281	RY(4)H10 s(74.93%)p0.33(25.07%)	0.000184340	1.969557273 Hartree
282	RY(5)H10 s(18.48%)p4.41(81.52%)	0.000006654	2.446041955 Hartree
283	RY(1)H11 s(99.32%)p0.01(0.68%)	0.001825762	0.567726928 Hartree
284	RY(2)H11 s(67.17%)p0.49(32.83%)	0.000306360	2.657986745 Hartree
285	RY(3)H11 s(0.00%)p1.00(100.00%)	0.000133054	1.797769440 Hartree
286	RY(4)H11 s(0.65%)p99.99(99.35%)	0.000064782	2.198583584 Hartree
287	RY(5)H11 s(32.92%)p2.04(67.08%)	0.000049401	2.270168363 Hartree
288	RY(1)Br12 s(0.00%)p1.00(31.54%)d2.17(68.46%)	0.003022545	0.520238814 Hartree
289	RY(2)Br12 s(16.51%)p2.73(45.14%)d2.32(38.35%)	0.001501372	0.766262195 Hartree
290	RY(3)Br12 s(11.44%)p4.43(50.68%)d3.31(37.88%)	0.000825263	0.773953832 Hartree
291	RY(4)Br12 s(16.07%)p3.26(52.42%)d1.96(31.51%)	0.000438339	0.616114567 Hartree
292	RY(5)Br12 s(0.00%)p1.00(1.81%)d54.16(98.19%)	0.000139478	0.385130840 Hartree
293	RY(6)Br12 s(26.61%)p1.41(37.59%)d1.34(35.79%)	0.000107130	1.522455282 Hartree
294	RY(7)Br12 s(0.53%)p34.34(18.03%)d99.99(81.44%)	0.000045656	1.655711520 Hartree
295	RY(8)Br12 s(19.69%)p2.65(52.26%)d1.42(28.05%)	0.000034876	2.942648937 Hartree
296	RY(9)Br12 s(9.58%)p2.69(25.74%)d6.75(64.68%)	0.000033433	1.425108039 Hartree
297	RY(10)Br12 s(0.00%)p1.00(54.99%)d0.82(45.01%)	0.000030998	0.868244299 Hartree
298	RY(11)Br12 s(0.00%)p1.00(91.67%)d0.09(8.33%)	0.000017427	0.295088946 Hartree
299	RY(12)Br12 s(27.52%)p0.76(20.97%)d1.87(51.51%)	0.000014373	2.250738663 Hartree
300	RY(13)Br12 s(7.20%)p5.25(37.80%)d7.64(55.00%)	0.000005691	2.745784150 Hartree
301	RY(14)Br12 s(12.27%)p6.56(80.50%)d0.59(7.23%)	0.000006681	3.115729803 Hartree
302	RY(15)Br12 s(15.33%)p2.78(42.61%)d2.74(42.06%)	0.000004574	3.165431657 Hartree
303	RY(16)Br12 s(25.21%)p1.55(39.01%)d1.42(35.78%)	0.000003459	4.113240764 Hartree
304	RY(17)Br12 s(24.29%)p2.98(72.49%)d0.13(3.22%)	0.000001846	2.417984299 Hartree
305	RY(18)Br12 s(0.00%)p1.00(0.25%)d99.99(99.75%)	0.000002162	2.092573208 Hartree
306	RY(19)Br12 s(11.56%)p1.69(19.50%)d5.96(68.94%)	0.000002180	1.849807386 Hartree
307	RY(20)Br12 s(19.14%)p1.80(34.36%)d2.43(46.50%)	0.000000625	2.125663296 Hartree
308	RY(21)Br12 s(45.80%)p0.51(23.15%)d0.68(31.05%)	0.000000317	9.471211101 Hartree
309	RY(22)Br12 s(29.43%)p2.35(69.09%)d0.05(1.49%)	0.000000001	274.934921167 Hartree
310	RY(23)Br12 s(59.07%)p0.53(31.41%)d0.16(9.52%)	0.000000004	141.758953532 Hartree
311	RY(24)Br12 s(0.00%)p1.00(95.53%)d0.05(4.47%)	0.000000080	6.117880572 Hartree
312	RY(25)Br12 s(0.00%)p1.00(51.35%)d0.95(48.65%)	0.000000002	12.930027608 Hartree
313	RY(26)Br12 s(0.00%)p1.00(64.85%)d0.54(35.15%)	0.000000000	188.045890697 Hartree
314	RY(27)Br12 s(3.81%)p8.16(31.07%)d17.10(65.12%)	0.000000200	6.831703092 Hartree
315	RY(28)Br12 s(0.00%)p1.00(43.24%)d1.31(56.76%)	0.000000000	95.899315838 Hartree
316	RY(29)Br12 s(6.17%)p11.47(70.83%)d3.73(23.00%)	0.000000114	11.419249248 Hartree
317	RY(30)Br12 s(0.00%)p1.00(30.99%)d2.23(69.01%)	0.000001058	4.580059725 Hartree
318	RY(31)Br12 s(0.00%)p1.00(33.79%)d1.96(66.21%)	0.000000161	5.173825039 Hartree
319	RY(32)Br12 s(19.17%)p4.17(80.03%)d0.04(0.80%)	0.000000000	403.536970593 Hartree
320	RY(33)Br12 s(79.17%)p0.26(20.72%)d0.00(0.11%)	0.000000000	804.158864685 Hartree
321	RY(34)Br12 s(4.53%)p9.41(42.62%)d11.67(52.85%)	0.000000045	7.881537197 Hartree
322	RY(35)Br12 s(9.80%)p0.26(2.56%)d8.95(87.64%)	0.000000007	14.148306201 Hartree
323	RY(1)C13 s(18.68%)p4.32(80.67%)d0.03(0.64%)	0.011760085	1.101031929 Hartree
324	RY(2)C13 s(42.79%)p0.34(14.44%)d1.00(42.77%)	0.004578618	1.752842012 Hartree
325	RY(3)C13 s(11.02%)p5.78(63.72%)d2.29(25.26%)	0.002019238	1.612160756 Hartree
326	RY(4)C13 s(0.00%)p1.00(0.86%)d99.99(99.14%)	0.001494253	1.740340845 Hartree
327	RY(5)C13 s(23.98%)p1.70(40.86%)d1.47(35.16%)	0.000400255	2.189400707 Hartree
328	RY(6)C13 s(7.69%)p4.76(36.64%)d7.23(55.66%)	0.000215435	3.105024158 Hartree
329	RY(7)C13 s(0.00%)p1.00(96.28%)d0.04(3.72%)	0.000168050	0.518443640 Hartree
330	RY(8)C13 s(3.45%)p5.17(17.84%)d22.81(78.71%)	0.000162173	2.667313310 Hartree
331	RY(9)C13 s(0.00%)p1.00(9.61%)d9.41(90.39%)	0.000072721	0.989460189 Hartree
332	RY(10)C13 s(37.14%)p0.92(34.33%)d0.77(28.53%)	0.000050450	8.308394023 Hartree
333	RY(11)C13 s(12.63%)p4.15(52.41%)d2.77(34.95%)	0.000021216	2.288913104 Hartree
334	RY(12)C13 s(0.00%)p1.00(66.77%)d0.50(33.23%)	0.000013222	1.031149947 Hartree
335	RY(13)C13 s(7.68%)p6.72(51.64%)d5.30(40.68%)	0.000013461	4.347021180 Hartree
336	RY(14)C13 s(62.47%)p0.21(13.21%)d0.39(24.32%)	0.000011274	1.888693130 Hartree
337	RY(15)C13 s(1.14%)p61.24(69.65%)d25.68(29.21%)	0.000005142	2.564587203 Hartree
338	RY(16)C13 s(24.37%)p2.38(57.89%)d0.73(17.74%)	0.000002429	1.164078236 Hartree
339	RY(17)C13 s(7.05%)p4.69(33.06%)d8.50(59.89%)	0.000001275	2.869790115 Hartree
340	RY(18)C13 s(35.03%)p0.70(24.35%)d1.16(40.62%)	0.000002099	5.916101001 Hartree
341	RY(19)C13 s(0.00%)p1.00(81.82%)d0.22(18.18%)	0.000000215	2.760736960 Hartree
342	RY(20)C13 s(0.00%)p1.00(14.97%)d5.68(85.03%)	0.000000039	3.126876113 Hartree
343	RY(21)C13 s(0.00%)p1.00(29.85%)d2.35(70.15%)	0.000000815	2.132612694 Hartree
344	RY(22)C13 s(4.52%)p2.19(9.93%)d18.91(85.55%)	0.000000442	4.424162904 Hartree
345	RY(1)O14 s(0.03%)p99.99(98.69%)d39.15(1.27%)	0.004016150	0.790298938 Hartree
346	RY(2)O14 s(0.00%)p1.00(96.95%)d0.03(3.05%)	0.000924153	0.577877479 Hartree
347	RY(3)O14 s(51.74%)p0.91(46.94%)d0.03(1.32%)	0.000635677	1.304231025 Hartree
348	RY(4)O14 s(19.24%)p3.54(68.05%)d0.66(12.71%)	0.000103791	1.769433969 Hartree
349	RY(5)O14 s(4.02%)p1.41(5.66%)d22.50(90.33%)	0.000043365	2.315531763 Hartree
350	RY(6)O14 s(21.52%)p2.62(56.37%)d1.03(22.10%)	0.000041032	1.752263675 Hartree
351	RY(7)O14 s(12.70%)p5.48(69.56%)d1.40(17.74%)	0.000014837	2.319593444 Hartree
352	RY(8)O14 s(0.00%)p1.00(14.18%)d6.05(85.82%)	0.000013081	1.554396902 Hartree
353	RY(9)O14 s(0.00%)p1.00(86.31%)d0.16(13.69%)	0.000009431	0.992853837 Hartree
354	RY(10)O14 s(24.84%)p2.17(54.02%)d0.85(21.13%)	0.000006713	2.776574452 Hartree
355	RY(11)O14 s(53.58%)p0.32(17.28%)d0.54(29.14%)	0.000004374	2.129074302 Hartree
356	RY(12)O14 s(5.26%)p6.99(36.73%)d11.04(58.01%)	0.000001780	3.185082979 Hartree
357	RY(13)O14 s(7.47%)p10.04(75.01%)d2.35(17.52%)	0.000000281	7.539463729 Hartree
358	RY(14)O14 s(0.00%)p1.00(61.27%)d0.63(38.73%)	0.000000012	5.694026698 Hartree
359	RY(15)O14 s(2.01%)p3.76(7.56%)d44.98(90.43%)	0.000000114	7.107300436 Hartree
360	RY(16)O14 s(0.00%)p1.00(3.18%)d30.46(96.82%)	0.000000749	1.830204873 Hartree
361	RY(17)O14 s(0.00%)p1.00(1.19%)d82.98(98.81%)	0.000000000	6.790910285 Hartree
362	RY(18)O14 s(85.64%)p0.09(7.76%)d0.08(6.60%)	0.000000047	41.317434813 Hartree
363	RY(19)O14 s(0.00%)p1.00(37.26%)d1.68(62.74%)	0.000000009	6.116980996 Hartree
364	RY(20)O14 s(6.80%)p6.52(44.35%)d7.18(48.85%)	0.000000705	3.845849009 Hartree
365	RY(21)O14 s(2.87%)p3.76(10.77%)d30.14(86.36%)	0.000000072	7.585898939 Hartree
366	RY(22)O14 s(2.29%)p0.90(2.05%)d41.72(95.65%)	0.000000007	7.834834288 Hartree
367	RY(1)H15 s(98.24%)p0.02(1.76%)	0.002966578	0.544687428 Hartree
368	RY(2)H15 s(40.26%)p1.48(59.74%)	0.000160794	2.427562570 Hartree
369	RY(3)H15 s(0.00%)p1.00(100.00%)	0.000076637	1.733815815 Hartree
370	RY(4)H15 s(11.38%)p7.79(88.62%)	0.000063073	2.341934905 Hartree
371	RY(5)H15 s(50.22%)p0.99(49.78%)	0.000056594	2.265988860 Hartree
372	RY(1)H16 s(99.68%)p0.00(0.32%)	0.002258562	0.975979448 Hartree
373	RY(2)H16 s(79.66%)p0.26(20.34%)	0.000333295	2.565109975 Hartree
374	RY(3)H16 s(0.00%)p1.00(100.00%)	0.000197428	1.793114766 Hartree
375	RY(4)H16 s(20.55%)p3.87(79.45%)	0.000048603	2.357696306 Hartree
376	RY(5)H16 s(0.19%)p99.99(99.81%)	0.000040590	2.232196624 Hartree
377	RY(1)H17 s(98.54%)p0.01(1.46%)	0.000279767	0.529345207 Hartree
378	RY(2)H17 s(0.00%)p1.00(100.00%)	0.000060024	1.813397952 Hartree
379	RY(3)H17 s(3.12%)p31.10(96.88%)	0.000057583	2.261088994 Hartree
380	RY(4)H17 s(98.03%)p0.02(1.97%)	0.000021871	2.350203455 Hartree
381	RY(5)H17 s(0.38%)p99.99(99.62%)	0.000003576	2.179605343 Hartree
382	RY(1)H18 s(99.47%)p0.01(0.53%)	0.001346067	0.428034214 Hartree
383	RY(2)H18 s(33.04%)p2.03(66.96%)	0.000091819	2.059500485 Hartree
384	RY(3)H18 s(6.75%)p13.81(93.25%)	0.000068414	2.232411299 Hartree
385	RY(4)H18 s(28.08%)p2.56(71.92%)	0.000038244	2.262847386 Hartree
386	RY(5)H18 s(32.71%)p2.06(67.29%)	0.000015805	2.179407326 Hartree
387	RY(1)H19 s(99.47%)p0.01(0.53%)	0.001346067	0.428034214 Hartree
388	RY(2)H19 s(33.04%)p2.03(66.96%)	0.000091819	2.059500484 Hartree
389	RY(3)H19 s(6.75%)p13.81(93.25%)	0.000068414	2.232411299 Hartree
390	RY(4)H19 s(28.08%)p2.56(71.92%)	0.000038244	2.262847387 Hartree
391	RY(5)H19 s(32.71%)p2.06(67.29%)	0.000015805	2.179407326 Hartree
392			********** Hartree

Natural Bond Orbitals

Display Range		- / 392
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	CR(1)C1	738	1.999984726	-10.253993268 Hartree
2	CR(1)O2	739	1.999993407	-19.193167944 Hartree
3	CR(1)C3	740	1.999984280	-10.261878459 Hartree
4	CR(1)C4	741	1.999984275	-10.209241565 Hartree
5	CR(1)C5	742	1.999985880	-10.206409857 Hartree
6	CR(1)C6	743	1.999984699	-10.249354804 Hartree
7	CR(1)C7	744	1.999985469	-10.198787219 Hartree
8	CR(1)C8	745	1.999985219	-10.267452942 Hartree
9	CR(1)O9	746	1.999993754	-19.182137048 Hartree
10	CR(1)Br12	747	2.000000000	-481.634561272 Hartree
11	CR(2)Br12	748	1.999999965	-62.116614369 Hartree
12	CR(3)Br12	749	1.999992386	-10.227506512 Hartree
13	CR(4)Br12	750	1.999999850	-53.635229551 Hartree
14	CR(5)Br12	751	1.999999627	-9.159920347 Hartree
15	CR(6)Br12	752	1.999999720	-53.639077628 Hartree
16	CR(7)Br12	753	1.999999079	-9.173282210 Hartree
17	CR(8)Br12	754	1.999999952	-53.635470579 Hartree
18	CR(9)Br12	755	1.999999802	-9.160732296 Hartree
19	CR(10)Br12	756	1.999927641	-2.627200716 Hartree
20	CR(11)Br12	757	1.999987101	-2.617429498 Hartree
21	CR(12)Br12	758	1.999972347	-2.627781077 Hartree
22	CR(13)Br12	759	1.999919625	-2.627327496 Hartree
23	CR(14)Br12	760	1.999945429	-2.621159581 Hartree
24	CR(1)C13	761	1.999984616	-10.264354434 Hartree
25	CR(1)O14	762	1.999994703	-19.120672505 Hartree
26	LP(1)O2	763	1.960684477	-0.529713105 Hartree
27	LP(2)O2	764	1.862063502	-0.353308861 Hartree
28	LP(1)O9	765	1.978823115	-0.549176385 Hartree
29	LP(2)O9	766	1.853994900	-0.348353761 Hartree
30	LP(1)Br12	767	1.994420841	-0.666684026 Hartree
31	LP(2)Br12	768	1.973218894	-0.285836430 Hartree
32	LP(3)Br12	769	1.917751633	-0.286582008 Hartree
33	LP(1)O14	770	1.985001102	-0.565180437 Hartree
34	LP(2)O14	771	1.869208972	-0.271218923 Hartree
35	BD(1)C1-O2	772, 773	1.991970725	-0.767239868 Hartree
36	BD(1)C1-H17	774, 775	1.991812723	-0.527597810 Hartree
37	BD(1)C1-H18	776, 777	1.994775146	-0.530142298 Hartree
38	BD(1)C1-H19	778, 779	1.994775146	-0.530142298 Hartree
39	BD(1)O2-C3	780, 781	1.990942656	-0.825412446 Hartree
40	BD(1)C3-C4	782, 783	1.976935767	-0.648285794 Hartree
41	BD(2)C3-C4	784, 785	1.713290099	-0.296228776 Hartree
42	BD(1)C3-C8	786, 787	1.971569357	-0.644945290 Hartree
43	BD(1)C4-C5	788, 789	1.959816590	-0.609000682 Hartree
44	BD(1)C4-H16	790, 791	1.974095304	-0.517964335 Hartree
45	BD(1)C5-C6	792, 793	1.975483134	-0.635403951 Hartree
46	BD(2)C5-C6	794, 795	1.660113621	-0.282919762 Hartree
47	BD(1)C5-C13	796, 797	1.979905207	-0.596494692 Hartree
48	BD(1)C6-C7	798, 799	1.977193924	-0.637713665 Hartree
49	BD(1)C6-Br12	800, 801	1.982777837	-0.549194559 Hartree
50	BD(1)C7-C8	802, 803	1.968383096	-0.635695174 Hartree
51	BD(2)C7-C8	804, 805	1.636175544	-0.284154733 Hartree
52	BD(1)C7-H11	806, 807	1.976462272	-0.502792391 Hartree
53	BD(1)C8-O9	808, 809	1.993311788	-0.838468315 Hartree
54	BD(1)O9-H10	810, 811	1.986842278	-0.713467011 Hartree
55	BD(1)C13-O14	812, 813	1.995712132	-0.920472932 Hartree
56	BD(2)C13-O14	814, 815	1.979611955	-0.387223951 Hartree
57	BD(1)C13-H15	816, 817	1.986620466	-0.511054601 Hartree
58	BD*(1)C1-O2		0.008817723	0.247610598 Hartree
59	BD*(1)C1-H17		0.008258297	0.364286701 Hartree
60	BD*(1)C1-H18		0.017744227	0.348135349 Hartree
61	BD*(1)C1-H19		0.017744227	0.348135349 Hartree
62	BD*(1)O2-C3		0.027939727	0.326284870 Hartree
63	BD*(1)C3-C4		0.024199471	0.553819429 Hartree
64	BD*(2)C3-C4		0.367388004	-0.001014529 Hartree
65	BD*(1)C3-C8		0.037093367	0.512786818 Hartree
66	BD*(1)C4-C5		0.019686068	0.519654759 Hartree
67	BD*(1)C4-H16		0.016792228	0.409780984 Hartree
68	BD*(1)C5-C6		0.034138615	0.547854587 Hartree
69	BD*(2)C5-C6		0.457151544	-0.002813821 Hartree
70	BD*(1)C5-C13		0.064029580	0.431614573 Hartree
71	BD*(1)C6-C7		0.019239918	0.554578040 Hartree
72	BD*(1)C6-Br12		0.033173423	0.089344314 Hartree
73	BD*(1)C7-C8		0.023216467	0.544076526 Hartree
74	BD*(2)C7-C8		0.364195528	0.001704715 Hartree
75	BD*(1)C7-H11		0.013564911	0.411165750 Hartree
76	BD*(1)C8-O9		0.017783109	0.343258674 Hartree
77	BD*(1)O9-H10		0.012321706	0.383623349 Hartree
78	BD*(1)C13-O14		0.004045993	0.617481520 Hartree
79	BD*(2)C13-O14		0.130022093	0.003103687 Hartree
80	BD*(1)C13-H15		0.070381481	0.342527136 Hartree
81	RY(1)C1	818	0.002391101	1.287387512 Hartree
82	RY(2)C1	819	0.001390146	0.927625885 Hartree
83	RY(3)C1	820	0.001203682	1.481457381 Hartree
84	RY(4)C1	821	0.000202203	0.915868113 Hartree
85	RY(5)C1	822	0.000186129	2.396319085 Hartree
86	RY(6)C1	823	0.000103808	1.867864182 Hartree
87	RY(7)C1	824	0.000036898	1.286401397 Hartree
88	RY(8)C1	825	0.000033939	1.394324414 Hartree
89	RY(9)C1	826	0.000013546	1.321941384 Hartree
90	RY(10)C1	827	0.000008375	2.457345016 Hartree
91	RY(11)C1	828	0.000004334	2.354316569 Hartree
92	RY(12)C1	829	0.000004894	3.487861336 Hartree
93	RY(13)C1	830	0.000003221	1.363359059 Hartree
94	RY(14)C1	831	0.000002701	1.314546116 Hartree
95	RY(15)C1	832	0.000000331	3.108813306 Hartree
96	RY(16)C1	833	0.000000349	1.274431909 Hartree
97	RY(17)C1	834	0.000000237	3.011760117 Hartree
98	RY(18)C1	835	0.000000674	17.240316390 Hartree
99	RY(19)C1	836	0.000001269	3.364003315 Hartree
100	RY(20)C1	837	0.000000035	2.219135383 Hartree
101	RY(21)C1	838	0.000000001	3.378831416 Hartree
102	RY(22)C1	839	0.000000053	2.999867596 Hartree
103	RY(1)O2	840	0.005065933	0.517967726 Hartree
104	RY(2)O2	841	0.003681451	0.753555530 Hartree
105	RY(3)O2	842	0.000958653	1.275775669 Hartree
106	RY(4)O2	843	0.000338588	1.425590995 Hartree
107	RY(5)O2	844	0.000192801	2.499021626 Hartree
108	RY(6)O2	845	0.000154248	1.823640979 Hartree
109	RY(7)O2	846	0.000147901	3.515020202 Hartree
110	RY(8)O2	847	0.000106426	1.112436252 Hartree
111	RY(9)O2	848	0.000064289	2.505607990 Hartree
112	RY(10)O2	849	0.000044576	1.740449045 Hartree
113	RY(11)O2	850	0.000022070	1.990796337 Hartree
114	RY(12)O2	851	0.000022330	1.677671333 Hartree
115	RY(13)O2	852	0.000010798	2.194252154 Hartree
116	RY(14)O2	853	0.000004579	5.244582190 Hartree
117	RY(15)O2	854	0.000001511	4.890258437 Hartree
118	RY(16)O2	855	0.000001048	7.754332868 Hartree
119	RY(17)O2	856	0.000000000	6.375818591 Hartree
120	RY(18)O2	857	0.000000710	5.416366936 Hartree
121	RY(19)O2	858	0.000000016	5.030899235 Hartree
122	RY(20)O2	859	0.000000317	7.390367482 Hartree
123	RY(21)O2	860	0.000000019	42.019421325 Hartree
124	RY(22)O2	861	0.000000076	10.849744498 Hartree
125	RY(1)C3	862	0.005383418	1.390906620 Hartree
126	RY(2)C3	863	0.003381643	1.687342194 Hartree
127	RY(3)C3	864	0.001518323	1.846689857 Hartree
128	RY(4)C3	865	0.001318673	1.663900985 Hartree
129	RY(5)C3	866	0.000795566	1.350692289 Hartree
130	RY(6)C3	867	0.000611079	4.112009706 Hartree
131	RY(7)C3	868	0.000383690	1.148596840 Hartree
132	RY(8)C3	869	0.000281592	2.272532686 Hartree
133	RY(9)C3	870	0.000259151	2.921446296 Hartree
134	RY(10)C3	871	0.000159164	3.113332855 Hartree
135	RY(11)C3	872	0.000106343	2.114162433 Hartree
136	RY(12)C3	873	0.000088129	2.039369463 Hartree
137	RY(13)C3	874	0.000080618	2.697322167 Hartree
138	RY(14)C3	875	0.000041972	2.892197119 Hartree
139	RY(15)C3	876	0.000032302	2.219954946 Hartree
140	RY(16)C3	877	0.000028975	3.361076385 Hartree
141	RY(17)C3	878	0.000016080	12.498098686 Hartree
142	RY(18)C3	879	0.000010909	5.732807266 Hartree
143	RY(19)C3	880	0.000008019	3.047376780 Hartree
144	RY(20)C3	881	0.000002292	1.726102057 Hartree
145	RY(21)C3	882	0.000001882	3.552660514 Hartree
146	RY(22)C3	883	0.000000038	2.487666207 Hartree
147	RY(1)C4	884	0.004546637	1.597627573 Hartree
148	RY(2)C4	885	0.001843647	1.108994667 Hartree
149	RY(3)C4	886	0.001063568	0.523531245 Hartree
150	RY(4)C4	887	0.000852162	1.592683021 Hartree
151	RY(5)C4	888	0.000392561	1.413840019 Hartree
152	RY(6)C4	889	0.000337462	2.936536719 Hartree
153	RY(7)C4	890	0.000258748	1.222124863 Hartree
154	RY(8)C4	891	0.000231437	1.048818083 Hartree
155	RY(9)C4	892	0.000189944	3.110816583 Hartree
156	RY(10)C4	893	0.000144964	1.363443244 Hartree
157	RY(11)C4	894	0.000046398	3.553398333 Hartree
158	RY(12)C4	895	0.000042175	3.583957034 Hartree
159	RY(13)C4	896	0.000017615	3.200849328 Hartree
160	RY(14)C4	897	0.000014936	0.986371587 Hartree
161	RY(15)C4	898	0.000013435	3.416274696 Hartree
162	RY(16)C4	899	0.000006984	2.433918232 Hartree
163	RY(17)C4	900	0.000006676	4.080864171 Hartree
164	RY(18)C4	901	0.000002440	14.846185898 Hartree
165	RY(19)C4	902	0.000000778	2.692270390 Hartree
166	RY(20)C4	903	0.000000079	3.255246453 Hartree
167	RY(21)C4	904	0.000001076	5.515594031 Hartree
168	RY(1)C5	905	0.007531132	1.296431314 Hartree
169	RY(2)C5	906	0.003242637	1.796977653 Hartree
170	RY(3)C5	907	0.001255903	0.788578399 Hartree
171	RY(4)C5	908	0.000978507	1.453564206 Hartree
172	RY(5)C5	909	0.000621226	2.702861218 Hartree
173	RY(6)C5	910	0.000493929	2.606141583 Hartree
174	RY(7)C5	911	0.000468077	2.054614542 Hartree
175	RY(8)C5	912	0.000362096	1.758982860 Hartree
176	RY(9)C5	913	0.000188700	3.634144212 Hartree
177	RY(10)C5	914	0.000151050	4.074839943 Hartree
178	RY(11)C5	915	0.000132359	4.320336518 Hartree
179	RY(12)C5	916	0.000059830	2.987806213 Hartree
180	RY(13)C5	917	0.000053758	2.502857074 Hartree
181	RY(14)C5	918	0.000046869	3.548860616 Hartree
182	RY(15)C5	919	0.000026255	3.061504792 Hartree
183	RY(16)C5	920	0.000012783	4.573532452 Hartree
184	RY(17)C5	921	0.000008073	0.701336900 Hartree
185	RY(18)C5	922	0.000004487	7.328863958 Hartree
186	RY(19)C5	923	0.000002543	1.938003761 Hartree
187	RY(20)C5	924	0.000003484	3.044370492 Hartree
188	RY(21)C5	925	0.000001169	4.930591744 Hartree
189	RY(22)C5	926	0.000000102	2.576215568 Hartree
190	RY(1)C6	927	0.006356648	1.226094625 Hartree
191	RY(2)C6	928	0.005442121	0.760763443 Hartree
192	RY(3)C6	929	0.003153069	0.785880754 Hartree
193	RY(4)C6	930	0.000966790	1.615295146 Hartree
194	RY(5)C6	931	0.000838372	2.118662054 Hartree
195	RY(6)C6	932	0.000456453	3.192924561 Hartree
196	RY(7)C6	933	0.000275835	2.700341351 Hartree
197	RY(8)C6	934	0.000217843	3.798596477 Hartree
198	RY(9)C6	935	0.000154592	1.601297682 Hartree
199	RY(10)C6	936	0.000098333	2.634355390 Hartree
200	RY(11)C6	937	0.000083312	2.565275250 Hartree
201	RY(12)C6	938	0.000061712	1.867733556 Hartree
202	RY(13)C6	939	0.000048194	4.863476631 Hartree
203	RY(14)C6	940	0.000044911	1.475695258 Hartree
204	RY(15)C6	941	0.000016431	3.344410472 Hartree
205	RY(16)C6	942	0.000012378	2.246974259 Hartree
206	RY(17)C6	943	0.000005671	4.764528355 Hartree
207	RY(18)C6	944	0.000003987	1.912913740 Hartree
208	RY(19)C6	945	0.000002685	3.526229726 Hartree
209	RY(20)C6	946	0.000000044	2.907492487 Hartree
210	RY(21)C6	947	0.000000604	15.201212717 Hartree
211	RY(22)C6	948	0.000000482	1.742433782 Hartree
212	RY(1)C7	949	0.005626513	1.235252620 Hartree
213	RY(2)C7	950	0.003796943	0.909467007 Hartree
214	RY(3)C7	951	0.001237975	0.761254786 Hartree
215	RY(4)C7	952	0.000733285	1.823003052 Hartree
216	RY(5)C7	953	0.000586636	1.442709199 Hartree
217	RY(6)C7	954	0.000459155	1.179069921 Hartree
218	RY(7)C7	955	0.000270629	3.141989448 Hartree
219	RY(8)C7	956	0.000252802	1.673643704 Hartree
220	RY(9)C7	957	0.000097546	3.666971671 Hartree
221	RY(10)C7	958	0.000077355	3.125800936 Hartree
222	RY(11)C7	959	0.000047649	3.354583587 Hartree
223	RY(12)C7	960	0.000029531	0.999075349 Hartree
224	RY(13)C7	961	0.000026185	3.333081655 Hartree
225	RY(14)C7	962	0.000012809	5.694579981 Hartree
226	RY(15)C7	963	0.000010974	2.167879977 Hartree
227	RY(16)C7	964	0.000005644	1.652838058 Hartree
228	RY(17)C7	965	0.000005438	7.959457592 Hartree
229	RY(18)C7	966	0.000002304	3.638061066 Hartree
230	RY(19)C7	967	0.000001555	5.442680003 Hartree
231	RY(20)C7	968	0.000000246	2.785947440 Hartree
232	RY(21)C7	969	0.000000112	3.344738749 Hartree
233	RY(22)C7	970	0.000000982	4.262186885 Hartree
234	RY(1)C8	971	0.006360440	1.187938691 Hartree
235	RY(2)C8	972	0.003431465	1.536309603 Hartree
236	RY(3)C8	973	0.002027241	1.680072549 Hartree
237	RY(4)C8	974	0.001438879	2.229332678 Hartree
238	RY(5)C8	975	0.000783757	1.614262297 Hartree
239	RY(6)C8	976	0.000629052	1.939305152 Hartree
240	RY(7)C8	977	0.000388554	3.524944675 Hartree
241	RY(8)C8	978	0.000346629	3.643395850 Hartree
242	RY(9)C8	979	0.000191898	3.565892280 Hartree
243	RY(10)C8	980	0.000181190	0.897375373 Hartree
244	RY(11)C8	981	0.000125037	3.579601850 Hartree
245	RY(12)C8	982	0.000053341	2.362922337 Hartree
246	RY(13)C8	983	0.000053586	2.426107828 Hartree
247	RY(14)C8	984	0.000028077	1.871402378 Hartree
248	RY(15)C8	985	0.000021471	3.528783126 Hartree
249	RY(16)C8	986	0.000012799	2.969201159 Hartree
250	RY(17)C8	987	0.000008875	0.856662834 Hartree
251	RY(18)C8	988	0.000006232	6.121417127 Hartree
252	RY(19)C8	989	0.000002830	7.943430847 Hartree
253	RY(20)C8	990	0.000001440	2.703579420 Hartree
254	RY(21)C8	991	0.000001667	4.361612472 Hartree
255	RY(22)C8	992	0.000000094	2.532234943 Hartree
256	RY(1)O9	993	0.002770765	0.556218929 Hartree
257	RY(2)O9	994	0.002050675	0.849937943 Hartree
258	RY(3)O9	995	0.000411117	0.706845949 Hartree
259	RY(4)O9	996	0.000179621	1.989455569 Hartree
260	RY(5)O9	997	0.000095189	2.210735441 Hartree
261	RY(6)O9	998	0.000079046	1.167249697 Hartree
262	RY(7)O9	999	0.000066925	2.012560082 Hartree
263	RY(8)O9	1000	0.000052055	1.555922000 Hartree
264	RY(9)O9	1001	0.000028341	1.519303372 Hartree
265	RY(10)O9	1002	0.000012971	1.675348456 Hartree
266	RY(11)O9	1003	0.000008526	2.213880595 Hartree
267	RY(12)O9	1004	0.000004952	2.182812648 Hartree
268	RY(13)O9	1005	0.000002831	1.964001158 Hartree
269	RY(14)O9	1006	0.000000009	4.847581526 Hartree
270	RY(15)O9	1007	0.000000058	42.517106354 Hartree
271	RY(16)O9	1008	0.000000673	7.078810916 Hartree
272	RY(17)O9	1009	0.000000209	6.505384327 Hartree
273	RY(18)O9	1010	0.000001100	5.721734864 Hartree
274	RY(19)O9	1011	0.000001815	6.196830416 Hartree
275	RY(20)O9	1012	0.000000000	6.697122734 Hartree
276	RY(21)O9	1013	0.000000177	6.832583263 Hartree
277	RY(22)O9	1014	0.000000017	10.185013883 Hartree
278	RY(1)H10	1015	0.001153292	1.687015928 Hartree
279	RY(2)H10	1016	0.000905440	1.752756503 Hartree
280	RY(3)H10	1017	0.000341217	2.025896647 Hartree
281	RY(4)H10	1018	0.000184340	1.969557273 Hartree
282	RY(5)H10	1019	0.000006654	2.446041955 Hartree
283	RY(1)H11	1020	0.001825762	0.567726928 Hartree
284	RY(2)H11	1021	0.000306360	2.657986745 Hartree
285	RY(3)H11	1022	0.000133054	1.797769440 Hartree
286	RY(4)H11	1023	0.000064782	2.198583584 Hartree
287	RY(5)H11	1024	0.000049401	2.270168363 Hartree
288	RY(1)Br12	1025	0.003022545	0.520238814 Hartree
289	RY(2)Br12	1026	0.001501372	0.766262195 Hartree
290	RY(3)Br12	1027	0.000825263	0.773953832 Hartree
291	RY(4)Br12	1028	0.000438339	0.616114567 Hartree
292	RY(5)Br12	1029	0.000139478	0.385130840 Hartree
293	RY(6)Br12	1030	0.000107130	1.522455282 Hartree
294	RY(7)Br12	1031	0.000045656	1.655711520 Hartree
295	RY(8)Br12	1032	0.000034876	2.942648937 Hartree
296	RY(9)Br12	1033	0.000033433	1.425108039 Hartree
297	RY(10)Br12	1034	0.000030998	0.868244299 Hartree
298	RY(11)Br12	1035	0.000017427	0.295088946 Hartree
299	RY(12)Br12	1036	0.000014373	2.250738663 Hartree
300	RY(13)Br12	1037	0.000005691	2.745784150 Hartree
301	RY(14)Br12	1038	0.000006681	3.115729803 Hartree
302	RY(15)Br12	1039	0.000004574	3.165431657 Hartree
303	RY(16)Br12	1040	0.000003459	4.113240764 Hartree
304	RY(17)Br12	1041	0.000001846	2.417984299 Hartree
305	RY(18)Br12	1042	0.000002162	2.092573208 Hartree
306	RY(19)Br12	1043	0.000002180	1.849807386 Hartree
307	RY(20)Br12	1044	0.000000625	2.125663296 Hartree
308	RY(21)Br12	1045	0.000000317	9.471211101 Hartree
309	RY(22)Br12	1046	0.000000001	274.934921167 Hartree
310	RY(23)Br12	1047	0.000000004	141.758953532 Hartree
311	RY(24)Br12	1048	0.000000080	6.117880572 Hartree
312	RY(25)Br12	1049	0.000000002	12.930027608 Hartree
313	RY(26)Br12	1050	0.000000000	188.045890697 Hartree
314	RY(27)Br12	1051	0.000000200	6.831703092 Hartree
315	RY(28)Br12	1052	0.000000000	95.899315838 Hartree
316	RY(29)Br12	1053	0.000000114	11.419249248 Hartree
317	RY(30)Br12	1054	0.000001058	4.580059725 Hartree
318	RY(31)Br12	1055	0.000000161	5.173825039 Hartree
319	RY(32)Br12	1056	0.000000000	403.536970593 Hartree
320	RY(33)Br12	1057	0.000000000	804.158864685 Hartree
321	RY(34)Br12	1058	0.000000045	7.881537197 Hartree
322	RY(35)Br12	1059	0.000000007	14.148306201 Hartree
323	RY(1)C13	1060	0.011760085	1.101031929 Hartree
324	RY(2)C13	1061	0.004578618	1.752842012 Hartree
325	RY(3)C13	1062	0.002019238	1.612160756 Hartree
326	RY(4)C13	1063	0.001494253	1.740340845 Hartree
327	RY(5)C13	1064	0.000400255	2.189400707 Hartree
328	RY(6)C13	1065	0.000215435	3.105024158 Hartree
329	RY(7)C13	1066	0.000168050	0.518443640 Hartree
330	RY(8)C13	1067	0.000162173	2.667313310 Hartree
331	RY(9)C13	1068	0.000072721	0.989460189 Hartree
332	RY(10)C13	1069	0.000050450	8.308394023 Hartree
333	RY(11)C13	1070	0.000021216	2.288913104 Hartree
334	RY(12)C13	1071	0.000013222	1.031149947 Hartree
335	RY(13)C13	1072	0.000013461	4.347021180 Hartree
336	RY(14)C13	1073	0.000011274	1.888693130 Hartree
337	RY(15)C13	1074	0.000005142	2.564587203 Hartree
338	RY(16)C13	1075	0.000002429	1.164078236 Hartree
339	RY(17)C13	1076	0.000001275	2.869790115 Hartree
340	RY(18)C13	1077	0.000002099	5.916101001 Hartree
341	RY(19)C13	1078	0.000000215	2.760736960 Hartree
342	RY(20)C13	1079	0.000000039	3.126876113 Hartree
343	RY(21)C13	1080	0.000000815	2.132612694 Hartree
344	RY(22)C13	1081	0.000000442	4.424162904 Hartree
345	RY(1)O14	1082	0.004016150	0.790298938 Hartree
346	RY(2)O14	1083	0.000924153	0.577877479 Hartree
347	RY(3)O14	1084	0.000635677	1.304231025 Hartree
348	RY(4)O14	1085	0.000103791	1.769433969 Hartree
349	RY(5)O14	1086	0.000043365	2.315531763 Hartree
350	RY(6)O14	1087	0.000041032	1.752263675 Hartree
351	RY(7)O14	1088	0.000014837	2.319593444 Hartree
352	RY(8)O14	1089	0.000013081	1.554396902 Hartree
353	RY(9)O14	1090	0.000009431	0.992853837 Hartree
354	RY(10)O14	1091	0.000006713	2.776574452 Hartree
355	RY(11)O14	1092	0.000004374	2.129074302 Hartree
356	RY(12)O14	1093	0.000001780	3.185082979 Hartree
357	RY(13)O14	1094	0.000000281	7.539463729 Hartree
358	RY(14)O14	1095	0.000000012	5.694026698 Hartree
359	RY(15)O14	1096	0.000000114	7.107300436 Hartree
360	RY(16)O14	1097	0.000000749	1.830204873 Hartree
361	RY(17)O14	1098	0.000000000	6.790910285 Hartree
362	RY(18)O14	1099	0.000000047	41.317434813 Hartree
363	RY(19)O14	1100	0.000000009	6.116980996 Hartree
364	RY(20)O14	1101	0.000000705	3.845849009 Hartree
365	RY(21)O14	1102	0.000000072	7.585898939 Hartree
366	RY(22)O14	1103	0.000000007	7.834834288 Hartree
367	RY(1)H15	1104	0.002966578	0.544687428 Hartree
368	RY(2)H15	1105	0.000160794	2.427562570 Hartree
369	RY(3)H15	1106	0.000076637	1.733815815 Hartree
370	RY(4)H15	1107	0.000063073	2.341934905 Hartree
371	RY(5)H15	1108	0.000056594	2.265988860 Hartree
372	RY(1)H16	1109	0.002258562	0.975979448 Hartree
373	RY(2)H16	1110	0.000333295	2.565109975 Hartree
374	RY(3)H16	1111	0.000197428	1.793114766 Hartree
375	RY(4)H16	1112	0.000048603	2.357696306 Hartree
376	RY(5)H16	1113	0.000040590	2.232196624 Hartree
377	RY(1)H17	1114	0.000279767	0.529345207 Hartree
378	RY(2)H17	1115	0.000060024	1.813397952 Hartree
379	RY(3)H17	1116	0.000057583	2.261088994 Hartree
380	RY(4)H17	1117	0.000021871	2.350203455 Hartree
381	RY(5)H17	1118	0.000003576	2.179605343 Hartree
382	RY(1)H18	1119	0.001346067	0.428034214 Hartree
383	RY(2)H18	1120	0.000091819	2.059500485 Hartree
384	RY(3)H18	1121	0.000068414	2.232411299 Hartree
385	RY(4)H18	1122	0.000038244	2.262847386 Hartree
386	RY(5)H18	1123	0.000015805	2.179407326 Hartree
387	RY(1)H19	1124	0.001346067	0.428034214 Hartree
388	RY(2)H19	1125	0.000091819	2.059500484 Hartree
389	RY(3)H19	1126	0.000068414	2.232411299 Hartree
390	RY(4)H19	1127	0.000038244	2.262847387 Hartree
391	RY(5)H19	1128	0.000015805	2.179407326 Hartree
392		1128		********** Hartree

Quote

A COMPUTER IS LIKE A HORSE, IT WILL SENSE WEAKNESS. -- GREG WETTSTEIN