WebMO Job Summary

153784: 2-​bromo-​4-​hydroxy-​3-​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	C1
Basis	6-311+G(2d,p)
RB3LYP Energy	-3109.01871881 Hartree
Dipole Moment	4.4051 Debye
Server	batch (156233)
CPU time	2397.8 sec

Rotational Constants

Constant	Frequency (GHz)	Frequency (cm-1)
a	0.7778682	0.02594689023
b	0.6772146	0.02258944753
c	0.3740566	0.01247718513

Partial Charges

Atom	Symbol	Charge
1	C	-0.172566
2	O	-0.500000
3	C	-0.196673
4	C	0.294437
5	C	0.311528
6	C	-0.263576
7	C	-0.099573
8	C	0.355271
9	O	-0.444778
10	H	0.304497
11	H	0.105460
12	H	0.130717
13	C	0.118393
14	O	-0.413382
15	H	0.111193
16	Br	-0.060259
17	H	0.137274
18	H	0.135281
19	H	0.146756

Molecular Orbitals

Display Range		- / 391
Orbital	Symmetry	Occupancy	Energy	Actions
1	-	2	-482.83876 Hartree
2	-	2	-62.49291 Hartree
3	-	2	-56.31287 Hartree
4	-	2	-56.30889 Hartree
5	-	2	-56.30867 Hartree
6	-	2	-19.18398 Hartree
7	-	2	-19.17924 Hartree
8	-	2	-19.12385 Hartree
9	-	2	-10.26965 Hartree
10	-	2	-10.26434 Hartree
11	-	2	-10.26084 Hartree
12	-	2	-10.26023 Hartree
13	-	2	-10.24369 Hartree
14	-	2	-10.20513 Hartree
15	-	2	-10.20262 Hartree
16	-	2	-10.19733 Hartree
17	-	2	-8.71119 Hartree
18	-	2	-6.54250 Hartree
19	-	2	-6.52979 Hartree
20	-	2	-6.52916 Hartree
21	-	2	-2.65284 Hartree
22	-	2	-2.64921 Hartree
23	-	2	-2.64878 Hartree
24	-	2	-2.63863 Hartree
25	-	2	-2.63860 Hartree
26	-	2	-1.10968 Hartree
27	-	2	-1.07884 Hartree
28	-	2	-1.05379 Hartree
29	-	2	-0.89796 Hartree
30	-	2	-0.82977 Hartree
31	-	2	-0.78794 Hartree
32	-	2	-0.76362 Hartree
33	-	2	-0.71814 Hartree
34	-	2	-0.67511 Hartree
35	-	2	-0.63446 Hartree
36	-	2	-0.59961 Hartree
37	-	2	-0.58344 Hartree
38	-	2	-0.53380 Hartree
39	-	2	-0.52284 Hartree
40	-	2	-0.50319 Hartree
41	-	2	-0.49791 Hartree
42	-	2	-0.47005 Hartree
43	-	2	-0.45036 Hartree
44	-	2	-0.44736 Hartree
45	-	2	-0.44122 Hartree
46	-	2	-0.42577 Hartree
47	-	2	-0.41886 Hartree
48	-	2	-0.41514 Hartree
49	-	2	-0.39406 Hartree
50	-	2	-0.37761 Hartree
51	-	2	-0.36866 Hartree
52	-	2	-0.33070 Hartree
53	-	2	-0.32095 Hartree
54	-	2	-0.31469 Hartree
55	-	2	-0.26919 Hartree
56	-	2	-0.26590 Hartree
57	-	2	-0.25580 Hartree
58	-	0	-0.07867 Hartree
59	-	0	-0.04215 Hartree
60	-	0	-0.03518 Hartree
61	-	0	-0.01130 Hartree
62	-	0	0.00566 Hartree
63	-	0	0.01212 Hartree
64	-	0	0.01772 Hartree
65	-	0	0.02214 Hartree
66	-	0	0.03098 Hartree
67	-	0	0.03751 Hartree
68	-	0	0.04574 Hartree
69	-	0	0.05044 Hartree
70	-	0	0.05465 Hartree
71	-	0	0.06443 Hartree
72	-	0	0.06830 Hartree
73	-	0	0.07237 Hartree
74	-	0	0.08125 Hartree
75	-	0	0.08502 Hartree
76	-	0	0.08749 Hartree
77	-	0	0.09670 Hartree
78	-	0	0.09997 Hartree
79	-	0	0.10611 Hartree
80	-	0	0.12022 Hartree
81	-	0	0.12485 Hartree
82	-	0	0.12922 Hartree
83	-	0	0.13499 Hartree
84	-	0	0.14041 Hartree
85	-	0	0.14454 Hartree
86	-	0	0.14952 Hartree
87	-	0	0.15426 Hartree
88	-	0	0.15906 Hartree
89	-	0	0.16345 Hartree
90	-	0	0.16938 Hartree
91	-	0	0.17229 Hartree
92	-	0	0.17467 Hartree
93	-	0	0.19034 Hartree
94	-	0	0.19242 Hartree
95	-	0	0.19563 Hartree
96	-	0	0.20028 Hartree
97	-	0	0.20832 Hartree
98	-	0	0.20975 Hartree
99	-	0	0.21347 Hartree
100	-	0	0.22049 Hartree
101	-	0	0.23033 Hartree
102	-	0	0.23575 Hartree
103	-	0	0.24094 Hartree
104	-	0	0.24491 Hartree
105	-	0	0.25392 Hartree
106	-	0	0.25871 Hartree
107	-	0	0.26115 Hartree
108	-	0	0.26734 Hartree
109	-	0	0.27721 Hartree
110	-	0	0.28122 Hartree
111	-	0	0.28914 Hartree
112	-	0	0.29690 Hartree
113	-	0	0.30882 Hartree
114	-	0	0.31366 Hartree
115	-	0	0.31644 Hartree
116	-	0	0.32276 Hartree
117	-	0	0.32785 Hartree
118	-	0	0.33444 Hartree
119	-	0	0.34240 Hartree
120	-	0	0.34406 Hartree
121	-	0	0.34738 Hartree
122	-	0	0.36045 Hartree
123	-	0	0.37052 Hartree
124	-	0	0.38102 Hartree
125	-	0	0.39833 Hartree
126	-	0	0.40301 Hartree
127	-	0	0.41129 Hartree
128	-	0	0.42958 Hartree
129	-	0	0.43335 Hartree
130	-	0	0.43926 Hartree
131	-	0	0.45139 Hartree
132	-	0	0.47432 Hartree
133	-	0	0.48023 Hartree
134	-	0	0.49118 Hartree
135	-	0	0.49905 Hartree
136	-	0	0.50389 Hartree
137	-	0	0.51743 Hartree
138	-	0	0.52605 Hartree
139	-	0	0.52905 Hartree
140	-	0	0.54356 Hartree
141	-	0	0.55298 Hartree
142	-	0	0.56021 Hartree
143	-	0	0.56886 Hartree
144	-	0	0.57807 Hartree
145	-	0	0.58487 Hartree
146	-	0	0.58952 Hartree
147	-	0	0.59993 Hartree
148	-	0	0.61332 Hartree
149	-	0	0.61546 Hartree
150	-	0	0.61886 Hartree
151	-	0	0.62577 Hartree
152	-	0	0.62845 Hartree
153	-	0	0.64572 Hartree
154	-	0	0.66184 Hartree
155	-	0	0.66662 Hartree
156	-	0	0.67772 Hartree
157	-	0	0.68540 Hartree
158	-	0	0.69709 Hartree
159	-	0	0.70725 Hartree
160	-	0	0.71126 Hartree
161	-	0	0.72790 Hartree
162	-	0	0.73345 Hartree
163	-	0	0.74496 Hartree
164	-	0	0.75328 Hartree
165	-	0	0.76797 Hartree
166	-	0	0.77789 Hartree
167	-	0	0.79490 Hartree
168	-	0	0.79758 Hartree
169	-	0	0.81804 Hartree
170	-	0	0.82573 Hartree
171	-	0	0.82941 Hartree
172	-	0	0.84231 Hartree
173	-	0	0.86565 Hartree
174	-	0	0.87097 Hartree
175	-	0	0.88787 Hartree
176	-	0	0.89501 Hartree
177	-	0	0.91062 Hartree
178	-	0	0.93373 Hartree
179	-	0	0.94196 Hartree
180	-	0	0.99303 Hartree
181	-	0	1.00671 Hartree
182	-	0	1.00905 Hartree
183	-	0	1.01723 Hartree
184	-	0	1.02144 Hartree
185	-	0	1.04058 Hartree
186	-	0	1.05001 Hartree
187	-	0	1.05997 Hartree
188	-	0	1.07418 Hartree
189	-	0	1.09299 Hartree
190	-	0	1.10487 Hartree
191	-	0	1.11827 Hartree
192	-	0	1.12746 Hartree
193	-	0	1.13167 Hartree
194	-	0	1.14129 Hartree
195	-	0	1.16430 Hartree
196	-	0	1.17064 Hartree
197	-	0	1.19158 Hartree
198	-	0	1.19870 Hartree
199	-	0	1.21116 Hartree
200	-	0	1.21979 Hartree
201	-	0	1.22927 Hartree
202	-	0	1.24481 Hartree
203	-	0	1.25616 Hartree
204	-	0	1.28426 Hartree
205	-	0	1.29397 Hartree
206	-	0	1.30255 Hartree
207	-	0	1.31603 Hartree
208	-	0	1.33029 Hartree
209	-	0	1.34210 Hartree
210	-	0	1.35784 Hartree
211	-	0	1.36034 Hartree
212	-	0	1.40056 Hartree
213	-	0	1.40382 Hartree
214	-	0	1.42160 Hartree
215	-	0	1.44185 Hartree
216	-	0	1.48708 Hartree
217	-	0	1.53174 Hartree
218	-	0	1.54072 Hartree
219	-	0	1.55657 Hartree
220	-	0	1.56294 Hartree
221	-	0	1.58050 Hartree
222	-	0	1.59704 Hartree
223	-	0	1.62577 Hartree
224	-	0	1.65297 Hartree
225	-	0	1.67141 Hartree
226	-	0	1.68337 Hartree
227	-	0	1.69149 Hartree
228	-	0	1.71421 Hartree
229	-	0	1.73879 Hartree
230	-	0	1.74939 Hartree
231	-	0	1.77118 Hartree
232	-	0	1.77921 Hartree
233	-	0	1.82037 Hartree
234	-	0	1.83307 Hartree
235	-	0	1.86293 Hartree
236	-	0	1.88143 Hartree
237	-	0	1.88670 Hartree
238	-	0	1.90958 Hartree
239	-	0	1.91795 Hartree
240	-	0	1.92074 Hartree
241	-	0	1.94505 Hartree
242	-	0	1.95429 Hartree
243	-	0	1.98423 Hartree
244	-	0	2.00481 Hartree
245	-	0	2.02781 Hartree
246	-	0	2.04942 Hartree
247	-	0	2.08030 Hartree
248	-	0	2.12007 Hartree
249	-	0	2.14202 Hartree
250	-	0	2.16225 Hartree
251	-	0	2.17244 Hartree
252	-	0	2.20425 Hartree
253	-	0	2.22228 Hartree
254	-	0	2.22833 Hartree
255	-	0	2.26277 Hartree
256	-	0	2.29907 Hartree
257	-	0	2.33348 Hartree
258	-	0	2.33986 Hartree
259	-	0	2.37413 Hartree
260	-	0	2.38153 Hartree
261	-	0	2.38701 Hartree
262	-	0	2.42057 Hartree
263	-	0	2.48879 Hartree
264	-	0	2.50659 Hartree
265	-	0	2.54402 Hartree
266	-	0	2.57493 Hartree
267	-	0	2.60523 Hartree
268	-	0	2.62552 Hartree
269	-	0	2.63822 Hartree
270	-	0	2.66952 Hartree
271	-	0	2.69451 Hartree
272	-	0	2.70183 Hartree
273	-	0	2.71167 Hartree
274	-	0	2.73819 Hartree
275	-	0	2.74195 Hartree
276	-	0	2.75505 Hartree
277	-	0	2.84572 Hartree
278	-	0	2.85476 Hartree
279	-	0	2.87113 Hartree
280	-	0	2.89006 Hartree
281	-	0	2.90050 Hartree
282	-	0	2.93649 Hartree
283	-	0	2.97764 Hartree
284	-	0	3.03606 Hartree
285	-	0	3.05106 Hartree
286	-	0	3.07631 Hartree
287	-	0	3.10062 Hartree
288	-	0	3.11165 Hartree
289	-	0	3.11958 Hartree
290	-	0	3.14972 Hartree
291	-	0	3.15835 Hartree
292	-	0	3.19488 Hartree
293	-	0	3.23273 Hartree
294	-	0	3.27068 Hartree
295	-	0	3.28749 Hartree
296	-	0	3.30669 Hartree
297	-	0	3.31515 Hartree
298	-	0	3.33276 Hartree
299	-	0	3.34654 Hartree
300	-	0	3.36512 Hartree
301	-	0	3.39852 Hartree
302	-	0	3.40107 Hartree
303	-	0	3.41451 Hartree
304	-	0	3.41832 Hartree
305	-	0	3.44080 Hartree
306	-	0	3.44762 Hartree
307	-	0	3.46138 Hartree
308	-	0	3.48485 Hartree
309	-	0	3.49555 Hartree
310	-	0	3.54404 Hartree
311	-	0	3.56395 Hartree
312	-	0	3.57465 Hartree
313	-	0	3.58678 Hartree
314	-	0	3.59095 Hartree
315	-	0	3.60622 Hartree
316	-	0	3.61189 Hartree
317	-	0	3.64901 Hartree
318	-	0	3.67541 Hartree
319	-	0	3.69546 Hartree
320	-	0	3.70368 Hartree
321	-	0	3.70832 Hartree
322	-	0	3.73575 Hartree
323	-	0	3.77513 Hartree
324	-	0	3.80187 Hartree
325	-	0	3.85904 Hartree
326	-	0	3.86894 Hartree
327	-	0	3.92975 Hartree
328	-	0	3.96109 Hartree
329	-	0	3.98265 Hartree
330	-	0	4.01760 Hartree
331	-	0	4.04009 Hartree
332	-	0	4.09490 Hartree
333	-	0	4.13579 Hartree
334	-	0	4.16630 Hartree
335	-	0	4.19751 Hartree
336	-	0	4.21839 Hartree
337	-	0	4.39116 Hartree
338	-	0	4.45852 Hartree
339	-	0	4.65927 Hartree
340	-	0	4.69527 Hartree
341	-	0	4.83189 Hartree
342	-	0	5.00134 Hartree
343	-	0	5.04214 Hartree
344	-	0	5.17611 Hartree
345	-	0	5.25065 Hartree
346	-	0	5.27637 Hartree
347	-	0	5.36575 Hartree
348	-	0	5.58515 Hartree
349	-	0	5.77593 Hartree
350	-	0	5.98700 Hartree
351	-	0	6.03339 Hartree
352	-	0	6.20633 Hartree
353	-	0	6.24968 Hartree
354	-	0	6.27180 Hartree
355	-	0	6.42958 Hartree
356	-	0	6.43849 Hartree
357	-	0	6.79027 Hartree
358	-	0	6.82669 Hartree
359	-	0	6.86294 Hartree
360	-	0	6.92151 Hartree
361	-	0	6.96847 Hartree
362	-	0	6.98489 Hartree
363	-	0	7.01038 Hartree
364	-	0	7.01593 Hartree
365	-	0	7.05545 Hartree
366	-	0	7.16510 Hartree
367	-	0	7.21674 Hartree
368	-	0	7.24662 Hartree
369	-	0	7.27197 Hartree
370	-	0	7.30384 Hartree
371	-	0	7.33892 Hartree
372	-	0	7.49247 Hartree
373	-	0	7.56900 Hartree
374	-	0	7.71383 Hartree
375	-	0	7.92374 Hartree
376	-	0	23.62626 Hartree
377	-	0	23.93177 Hartree
378	-	0	23.95048 Hartree
379	-	0	24.04902 Hartree
380	-	0	24.06011 Hartree
381	-	0	24.11374 Hartree
382	-	0	24.16740 Hartree
383	-	0	24.17285 Hartree
384	-	0	48.12689 Hartree
385	-	0	49.95732 Hartree
386	-	0	49.99799 Hartree
387	-	0	50.02116 Hartree
388	-	0	289.77504 Hartree
389	-	0	289.91905 Hartree
390	-	0	290.13728 Hartree
391	-	0	1020.97390 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom	Symbol	Charge
1	C	-0.20351
2	O	-0.59228
3	C	0.21370
4	C	-0.08359
5	C	-0.21994
6	C	-0.12301
7	C	-0.24955
8	C	0.33353
9	O	-0.66775
10	H	0.49095
11	H	0.22669
12	H	0.23615
13	C	0.42037
14	O	-0.54551
15	H	0.13077
16	Br	0.08653
17	H	0.19070
18	H	0.17113
19	H	0.18462

Natural Atomic Orbitals

Display Range		- / 392
Orbital	Description	Occupancy	Energy	Actions
1	C1 Cor(1s)	1.999984913	-10.243562390 Hartree
2	C1 Val(2s)	1.097076263	-0.231695909 Hartree
3	C1 Ryd(3s)	0.001849862	0.952210761 Hartree
4	C1 Ryd(4s)	0.000060102	4.896681639 Hartree
5	C1 Ryd(5s)	0.000014793	17.222072081 Hartree
6	C1 Val(2p)	1.159851211	-0.132183784 Hartree
7	C1 Ryd(3p)	0.000919200	0.721645480 Hartree
8	C1 Ryd(4p)	0.000144722	1.717877562 Hartree
9	C1 Ryd(5p)	0.000027252	2.045151508 Hartree
10	C1 Val(2p)	1.078532000	-0.124611187 Hartree
11	C1 Ryd(3p)	0.000971789	0.746154619 Hartree
12	C1 Ryd(4p)	0.000149574	1.711524506 Hartree
13	C1 Ryd(5p)	0.000027782	1.960397918 Hartree
14	C1 Val(2p)	0.853983462	-0.097279643 Hartree
15	C1 Ryd(3p)	0.003075095	0.693577926 Hartree
16	C1 Ryd(4p)	0.000132604	1.663889248 Hartree
17	C1 Ryd(5p)	0.000034507	1.972230791 Hartree
18	C1 Ryd(3d)	0.001598886	2.052846637 Hartree
19	C1 Ryd(4d)	0.000023881	2.986698102 Hartree
20	C1 Ryd(3d)	0.001388816	1.934535570 Hartree
21	C1 Ryd(4d)	0.000045205	2.841302650 Hartree
22	C1 Ryd(3d)	0.001820513	2.129020066 Hartree
23	C1 Ryd(4d)	0.000038711	3.012052545 Hartree
24	C1 Ryd(3d)	0.000706900	1.715183354 Hartree
25	C1 Ryd(4d)	0.000076881	2.795841546 Hartree
26	C1 Ryd(3d)	0.000885760	1.914532358 Hartree
27	C1 Ryd(4d)	0.000089248	2.864363548 Hartree
28	O2 Cor(1s)	1.999993893	-19.179155656 Hartree
29	O2 Val(2s)	1.607030386	-0.741521842 Hartree
30	O2 Ryd(3s)	0.002634697	2.164452997 Hartree
31	O2 Ryd(4s)	0.000126473	1.867784254 Hartree
32	O2 Ryd(5s)	0.000000548	48.981553683 Hartree
33	O2 Val(2p)	1.715094918	-0.334032657 Hartree
34	O2 Ryd(3p)	0.004739139	0.709095493 Hartree
35	O2 Ryd(4p)	0.000532610	0.965253286 Hartree
36	O2 Ryd(5p)	0.000009567	5.190720356 Hartree
37	O2 Val(2p)	1.622605677	-0.326280284 Hartree
38	O2 Ryd(3p)	0.003303272	0.833642556 Hartree
39	O2 Ryd(4p)	0.000459366	0.960414893 Hartree
40	O2 Ryd(5p)	0.000016976	5.037462569 Hartree
41	O2 Val(2p)	1.622250697	-0.338739698 Hartree
42	O2 Ryd(3p)	0.002692542	0.737856668 Hartree
43	O2 Ryd(4p)	0.000311744	0.944878982 Hartree
44	O2 Ryd(5p)	0.000014169	4.873342035 Hartree
45	O2 Ryd(3d)	0.001982618	2.043775045 Hartree
46	O2 Ryd(4d)	0.000025538	7.005498990 Hartree
47	O2 Ryd(3d)	0.001842800	1.845195540 Hartree
48	O2 Ryd(4d)	0.000035096	6.980371667 Hartree
49	O2 Ryd(3d)	0.002398837	1.969790930 Hartree
50	O2 Ryd(4d)	0.000030194	7.053843300 Hartree
51	O2 Ryd(3d)	0.000832869	2.009376315 Hartree
52	O2 Ryd(4d)	0.000046651	7.035258785 Hartree
53	O2 Ryd(3d)	0.003242276	2.036204738 Hartree
54	O2 Ryd(4d)	0.000028747	7.113979354 Hartree
55	C3 Cor(1s)	1.999985134	-10.260515531 Hartree
56	C3 Val(2s)	0.813937597	-0.104687024 Hartree
57	C3 Ryd(3s)	0.000955816	1.386953084 Hartree
58	C3 Ryd(4s)	0.000015860	18.561911703 Hartree
59	C3 Val(2p)	0.979281756	-0.063345162 Hartree
60	C3 Ryd(3p)	0.004337070	1.279606880 Hartree
61	C3 Ryd(4p)	0.000493745	1.452221697 Hartree
62	C3 Ryd(5p)	0.000158612	2.942171071 Hartree
63	C3 Val(2p)	0.900198666	-0.049670769 Hartree
64	C3 Ryd(3p)	0.006302413	1.303859502 Hartree
65	C3 Ryd(4p)	0.000382523	1.602595345 Hartree
66	C3 Ryd(5p)	0.000235402	3.245043057 Hartree
67	C3 Val(2p)	1.068339963	-0.153137678 Hartree
68	C3 Ryd(3p)	0.003592258	0.606928212 Hartree
69	C3 Ryd(4p)	0.000259124	0.860546523 Hartree
70	C3 Ryd(5p)	0.000049939	2.330686185 Hartree
71	C3 Ryd(3d)	0.001361167	2.518485935 Hartree
72	C3 Ryd(4d)	0.000513300	3.775596881 Hartree
73	C3 Ryd(3d)	0.000720654	1.712839301 Hartree
74	C3 Ryd(4d)	0.000232929	2.943056367 Hartree
75	C3 Ryd(3d)	0.000949438	1.726534405 Hartree
76	C3 Ryd(4d)	0.000240096	2.918071113 Hartree
77	C3 Ryd(3d)	0.001741572	2.591562221 Hartree
78	C3 Ryd(4d)	0.000248672	3.728707555 Hartree
79	C3 Ryd(3d)	0.001486458	2.244183411 Hartree
80	C3 Ryd(4d)	0.000278588	3.140701317 Hartree
81	C4 Cor(1s)	1.999984344	-10.260329652 Hartree
82	C4 Val(2s)	0.952177703	-0.170314714 Hartree
83	C4 Ryd(3s)	0.001180378	1.452150987 Hartree
84	C4 Ryd(4s)	0.000430452	2.490973833 Hartree
85	C4 Ryd(5s)	0.000005137	21.155828285 Hartree
86	C4 Val(2p)	1.058016445	-0.070991355 Hartree
87	C4 Ryd(3p)	0.004972055	0.926786093 Hartree
88	C4 Ryd(4p)	0.000325152	1.660613803 Hartree
89	C4 Ryd(5p)	0.000075006	3.726468525 Hartree
90	C4 Val(2p)	0.991135404	-0.126419220 Hartree
91	C4 Ryd(3p)	0.005564299	1.139520922 Hartree
92	C4 Ryd(4p)	0.000245480	1.021053999 Hartree
93	C4 Ryd(5p)	0.000114835	3.898805643 Hartree
94	C4 Val(2p)	1.057449636	-0.167824303 Hartree
95	C4 Ryd(3p)	0.001136253	0.540396304 Hartree
96	C4 Ryd(4p)	0.000191744	0.604434709 Hartree
97	C4 Ryd(5p)	0.000005108	2.699927703 Hartree
98	C4 Ryd(3d)	0.001745358	1.897681564 Hartree
99	C4 Ryd(4d)	0.000336196	3.852294219 Hartree
100	C4 Ryd(3d)	0.000911960	1.191575082 Hartree
101	C4 Ryd(4d)	0.000128486	3.347955541 Hartree
102	C4 Ryd(3d)	0.001466763	1.069305918 Hartree
103	C4 Ryd(4d)	0.000107415	3.335000699 Hartree
104	C4 Ryd(3d)	0.002205323	1.995957338 Hartree
105	C4 Ryd(4d)	0.000405827	3.862358256 Hartree
106	C4 Ryd(3d)	0.003122631	1.810464241 Hartree
107	C4 Ryd(4d)	0.000152878	3.547777458 Hartree
108	C5 Cor(1s)	1.999986000	-10.205003229 Hartree
109	C5 Val(2s)	0.912070868	-0.090452602 Hartree
110	C5 Ryd(3s)	0.001208427	1.243710243 Hartree
111	C5 Ryd(4s)	0.000315742	4.940768076 Hartree
112	C5 Ryd(5s)	0.000011750	16.293336487 Hartree
113	C5 Val(2p)	1.107261551	-0.068584682 Hartree
114	C5 Ryd(3p)	0.005516194	1.393385636 Hartree
115	C5 Ryd(4p)	0.000434184	2.182816226 Hartree
116	C5 Ryd(5p)	0.000067380	3.693154113 Hartree
117	C5 Val(2p)	1.098167220	-0.058825694 Hartree
118	C5 Ryd(3p)	0.004922592	1.108874833 Hartree
119	C5 Ryd(4p)	0.000453979	1.364290876 Hartree
120	C5 Ryd(5p)	0.000077989	3.100903464 Hartree
121	C5 Val(2p)	1.083242205	-0.133736201 Hartree
122	C5 Ryd(3p)	0.001238650	0.512980501 Hartree
123	C5 Ryd(4p)	0.000196995	0.728116224 Hartree
124	C5 Ryd(5p)	0.000014652	2.457313240 Hartree
125	C5 Ryd(3d)	0.000850199	2.389946738 Hartree
126	C5 Ryd(4d)	0.000476998	3.805553130 Hartree
127	C5 Ryd(3d)	0.000443521	1.680681292 Hartree
128	C5 Ryd(4d)	0.000067162	2.927063164 Hartree
129	C5 Ryd(3d)	0.000403125	1.685929011 Hartree
130	C5 Ryd(4d)	0.000089627	2.932130477 Hartree
131	C5 Ryd(3d)	0.000788281	2.618336455 Hartree
132	C5 Ryd(4d)	0.000465242	3.678698996 Hartree
133	C5 Ryd(3d)	0.001051640	2.227284181 Hartree
134	C5 Ryd(4d)	0.000121830	3.333958020 Hartree
135	C6 Cor(1s)	1.999985046	-10.202522686 Hartree
136	C6 Val(2s)	0.947285720	-0.102546324 Hartree
137	C6 Ryd(3s)	0.001264821	1.345300309 Hartree
138	C6 Ryd(4s)	0.000043150	8.219762947 Hartree
139	C6 Ryd(5s)	0.000008302	12.466188235 Hartree
140	C6 Val(2p)	1.102067416	-0.038844991 Hartree
141	C6 Ryd(3p)	0.004806405	1.206304877 Hartree
142	C6 Ryd(4p)	0.000245485	0.795091966 Hartree
143	C6 Ryd(5p)	0.000116933	3.533900947 Hartree
144	C6 Val(2p)	1.120821198	-0.048319312 Hartree
145	C6 Ryd(3p)	0.005014162	1.084819514 Hartree
146	C6 Ryd(4p)	0.000179679	0.755802574 Hartree
147	C6 Ryd(5p)	0.000088837	3.495778453 Hartree
148	C6 Val(2p)	0.935442812	-0.126687128 Hartree
149	C6 Ryd(3p)	0.000539821	0.531155363 Hartree
150	C6 Ryd(4p)	0.000355696	0.312704638 Hartree
151	C6 Ryd(5p)	0.000004948	2.769786549 Hartree
152	C6 Ryd(3d)	0.000536871	2.546461542 Hartree
153	C6 Ryd(4d)	0.000493434	3.741776243 Hartree
154	C6 Ryd(3d)	0.000561527	1.528218725 Hartree
155	C6 Ryd(4d)	0.000067746	2.951705934 Hartree
156	C6 Ryd(3d)	0.000408035	1.511221053 Hartree
157	C6 Ryd(4d)	0.000077343	2.941354308 Hartree
158	C6 Ryd(3d)	0.001023225	2.432817682 Hartree
159	C6 Ryd(4d)	0.000211607	3.700974334 Hartree
160	C6 Ryd(3d)	0.001272748	2.038507962 Hartree
161	C6 Ryd(4d)	0.000086436	3.317918739 Hartree
162	C7 Cor(1s)	1.999985036	-10.197235153 Hartree
163	C7 Val(2s)	0.953894591	-0.108563290 Hartree
164	C7 Ryd(3s)	0.001259792	1.259135408 Hartree
165	C7 Ryd(4s)	0.000044105	2.542116751 Hartree
166	C7 Ryd(5s)	0.000012175	19.173121271 Hartree
167	C7 Val(2p)	1.082387805	-0.043567882 Hartree
168	C7 Ryd(3p)	0.004764186	0.965410231 Hartree
169	C7 Ryd(4p)	0.000199763	1.652843553 Hartree
170	C7 Ryd(5p)	0.000080678	2.921844995 Hartree
171	C7 Val(2p)	1.155832745	-0.069747621 Hartree
172	C7 Ryd(3p)	0.004483022	1.384469270 Hartree
173	C7 Ryd(4p)	0.000222565	1.187831467 Hartree
174	C7 Ryd(5p)	0.000062072	3.115299504 Hartree
175	C7 Val(2p)	1.039696202	-0.133637942 Hartree
176	C7 Ryd(3p)	0.001315095	0.523817827 Hartree
177	C7 Ryd(4p)	0.000346918	0.634949516 Hartree
178	C7 Ryd(5p)	0.000005656	2.442532302 Hartree
179	C7 Ryd(3d)	0.000975223	2.513038416 Hartree
180	C7 Ryd(4d)	0.000356698	3.747154519 Hartree
181	C7 Ryd(3d)	0.000330265	1.482011291 Hartree
182	C7 Ryd(4d)	0.000080351	3.044835246 Hartree
183	C7 Ryd(3d)	0.000776072	1.431491274 Hartree
184	C7 Ryd(4d)	0.000041773	2.997998330 Hartree
185	C7 Ryd(3d)	0.000648199	2.481225611 Hartree
186	C7 Ryd(4d)	0.000309255	3.760253539 Hartree
187	C7 Ryd(3d)	0.001375862	2.049434251 Hartree
188	C7 Ryd(4d)	0.000063206	3.370015440 Hartree
189	C8 Cor(1s)	1.999985592	-10.269526218 Hartree
190	C8 Val(2s)	0.837036215	-0.099479590 Hartree
191	C8 Ryd(3s)	0.001834648	1.438488577 Hartree
192	C8 Ryd(4s)	0.000193090	7.452232969 Hartree
193	C8 Ryd(5s)	0.000033835	9.496585224 Hartree
194	C8 Val(2p)	0.782387044	-0.038799229 Hartree
195	C8 Ryd(3p)	0.007732881	1.160195011 Hartree
196	C8 Ryd(4p)	0.000232199	0.792634170 Hartree
197	C8 Ryd(5p)	0.000146840	3.643567464 Hartree
198	C8 Val(2p)	1.078056857	-0.057766241 Hartree
199	C8 Ryd(3p)	0.004227558	1.418330073 Hartree
200	C8 Ryd(4p)	0.000307694	0.866574395 Hartree
201	C8 Ryd(5p)	0.000277430	2.858537620 Hartree
202	C8 Val(2p)	0.946271762	-0.146122060 Hartree
203	C8 Ryd(3p)	0.000539431	0.634118751 Hartree
204	C8 Ryd(4p)	0.000311261	0.416009097 Hartree
205	C8 Ryd(5p)	0.000035080	2.619503689 Hartree
206	C8 Ryd(3d)	0.001197458	2.807320885 Hartree
207	C8 Ryd(4d)	0.000343678	3.704961054 Hartree
208	C8 Ryd(3d)	0.001824363	1.937371982 Hartree
209	C8 Ryd(4d)	0.000093720	2.707102769 Hartree
210	C8 Ryd(3d)	0.000623614	1.877697002 Hartree
211	C8 Ryd(4d)	0.000076786	2.728303040 Hartree
212	C8 Ryd(3d)	0.000946213	2.756123355 Hartree
213	C8 Ryd(4d)	0.000543597	3.709072404 Hartree
214	C8 Ryd(3d)	0.001009061	2.568397596 Hartree
215	C8 Ryd(4d)	0.000201885	3.252465756 Hartree
216	O9 Cor(1s)	1.999993775	-19.183786980 Hartree
217	O9 Val(2s)	1.656552852	-0.764664820 Hartree
218	O9 Ryd(3s)	0.000174538	2.566790260 Hartree
219	O9 Ryd(4s)	0.000056331	1.687201851 Hartree
220	O9 Ryd(5s)	0.000001066	48.404761666 Hartree
221	O9 Val(2p)	1.473475558	-0.332744888 Hartree
222	O9 Ryd(3p)	0.001420200	0.553801129 Hartree
223	O9 Ryd(4p)	0.000312952	0.992362421 Hartree
224	O9 Ryd(5p)	0.000009540	5.468139141 Hartree
225	O9 Val(2p)	1.683187543	-0.345717107 Hartree
226	O9 Ryd(3p)	0.002263608	0.738286971 Hartree
227	O9 Ryd(4p)	0.000173482	1.107060525 Hartree
228	O9 Ryd(5p)	0.000014889	5.359368394 Hartree
229	O9 Val(2p)	1.832450948	-0.346965550 Hartree
230	O9 Ryd(3p)	0.002701026	0.440974691 Hartree
231	O9 Ryd(4p)	0.000081314	0.967464263 Hartree
232	O9 Ryd(5p)	0.000003365	4.927830373 Hartree
233	O9 Ryd(3d)	0.002806117	2.059013936 Hartree
234	O9 Ryd(4d)	0.000049611	7.075601113 Hartree
235	O9 Ryd(3d)	0.001373840	1.770539862 Hartree
236	O9 Ryd(4d)	0.000019719	6.905812001 Hartree
237	O9 Ryd(3d)	0.002677187	1.600198356 Hartree
238	O9 Ryd(4d)	0.000006250	6.781341812 Hartree
239	O9 Ryd(3d)	0.005306557	2.135116973 Hartree
240	O9 Ryd(4d)	0.000014166	7.074166833 Hartree
241	O9 Ryd(3d)	0.002618767	1.857764820 Hartree
242	O9 Ryd(4d)	0.000006270	6.906122730 Hartree
243	H10 Val(1s)	0.505432972	0.092911337 Hartree
244	H10 Ryd(2s)	0.001586142	1.457406882 Hartree
245	H10 Ryd(3s)	0.000199256	1.643684075 Hartree
246	H10 Ryd(2p)	0.000378182	2.169268541 Hartree
247	H10 Ryd(2p)	0.000573754	2.640066998 Hartree
248	H10 Ryd(2p)	0.000878653	1.824939012 Hartree
249	H11 Val(1s)	0.770920705	0.046375558 Hartree
250	H11 Ryd(2s)	0.001341383	0.578944674 Hartree
251	H11 Ryd(3s)	0.000186885	2.345874930 Hartree
252	H11 Ryd(2p)	0.000152234	2.270745240 Hartree
253	H11 Ryd(2p)	0.000583706	2.551516722 Hartree
254	H11 Ryd(2p)	0.000129457	1.813002203 Hartree
255	H12 Val(1s)	0.760986469	0.065636834 Hartree
256	H12 Ryd(2s)	0.001694890	0.728966109 Hartree
257	H12 Ryd(3s)	0.000255242	2.275191203 Hartree
258	H12 Ryd(2p)	0.000379501	2.379904605 Hartree
259	H12 Ryd(2p)	0.000420056	2.453334602 Hartree
260	H12 Ryd(2p)	0.000110497	1.810699373 Hartree
261	C13 Cor(1s)	1.999984663	-10.264230371 Hartree
262	C13 Val(2s)	0.915671067	-0.136195524 Hartree
263	C13 Ryd(3s)	0.009205855	0.872399835 Hartree
264	C13 Ryd(4s)	0.000073680	13.138859488 Hartree
265	C13 Ryd(5s)	0.000016612	5.402851057 Hartree
266	C13 Val(2p)	0.926824632	-0.015144885 Hartree
267	C13 Ryd(3p)	0.007578145	1.180454550 Hartree
268	C13 Ryd(5p)	0.000121962	1.893843096 Hartree
269	C13 Ryd(4p)	0.000183710	2.645133319 Hartree
270	C13 Val(2p)	0.974504125	-0.037738156 Hartree
271	C13 Ryd(3p)	0.008560855	1.272075821 Hartree
272	C13 Ryd(4p)	0.000157606	1.917033559 Hartree
273	C13 Ryd(5p)	0.000095010	1.787120739 Hartree
274	C13 Val(2p)	0.728857902	-0.128581554 Hartree
275	C13 Ryd(3p)	0.000816508	0.739095599 Hartree
276	C13 Ryd(4p)	0.000268187	1.195558969 Hartree
277	C13 Ryd(5p)	0.000013044	1.574281875 Hartree
278	C13 Ryd(3d)	0.001177915	2.804362372 Hartree
279	C13 Ryd(4d)	0.000259574	3.006120336 Hartree
280	C13 Ryd(3d)	0.000987700	2.254326265 Hartree
281	C13 Ryd(4d)	0.000088655	2.260033381 Hartree
282	C13 Ryd(3d)	0.000686292	2.241240175 Hartree
283	C13 Ryd(4d)	0.000033461	2.102836445 Hartree
284	C13 Ryd(3d)	0.002717723	2.819646118 Hartree
285	C13 Ryd(4d)	0.000107877	3.131644594 Hartree
286	C13 Ryd(3d)	0.000541816	2.483180595 Hartree
287	C13 Ryd(4d)	0.000091467	2.659806487 Hartree
288	O14 Cor(1s)	1.999994852	-19.123118945 Hartree
289	O14 Val(2s)	1.705996156	-0.682673710 Hartree
290	O14 Ryd(3s)	0.000988434	2.883540760 Hartree
291	O14 Ryd(4s)	0.000047261	1.384835724 Hartree
292	O14 Ryd(5s)	0.000000682	47.206013109 Hartree
293	O14 Val(2p)	1.758018176	-0.276649020 Hartree
294	O14 Ryd(3p)	0.002897317	0.924476683 Hartree
295	O14 Ryd(4p)	0.000144733	1.098648922 Hartree
296	O14 Ryd(5p)	0.000011446	5.410016860 Hartree
297	O14 Val(2p)	1.691299801	-0.278045350 Hartree
298	O14 Ryd(3p)	0.001857186	0.708265006 Hartree
299	O14 Ryd(4p)	0.000122821	1.212354516 Hartree
300	O14 Ryd(5p)	0.000020045	5.469898541 Hartree
301	O14 Val(2p)	1.366534827	-0.257888771 Hartree
302	O14 Ryd(3p)	0.000802072	0.513720852 Hartree
303	O14 Ryd(4p)	0.000008992	1.011492548 Hartree
304	O14 Ryd(5p)	0.000008145	4.879964126 Hartree
305	O14 Ryd(3d)	0.005720998	2.129183896 Hartree
306	O14 Ryd(4d)	0.000007505	7.035596339 Hartree
307	O14 Ryd(3d)	0.001820377	1.688610761 Hartree
308	O14 Ryd(4d)	0.000002027	6.836013550 Hartree
309	O14 Ryd(3d)	0.002689150	1.739328015 Hartree
310	O14 Ryd(4d)	0.000008146	6.883526239 Hartree
311	O14 Ryd(3d)	0.004475882	1.951860101 Hartree
312	O14 Ryd(4d)	0.000061193	7.138891629 Hartree
313	O14 Ryd(3d)	0.001965531	1.819594540 Hartree
314	O14 Ryd(4d)	0.000002056	6.908348189 Hartree
315	H15 Val(1s)	0.865962915	-0.003607135 Hartree
316	H15 Ryd(2s)	0.001898526	0.584110614 Hartree
317	H15 Ryd(3s)	0.000145713	2.273713669 Hartree
318	H15 Ryd(2p)	0.000360235	2.168169613 Hartree
319	H15 Ryd(2p)	0.000793158	2.624387689 Hartree
320	H15 Ryd(2p)	0.000069061	1.749638867 Hartree
321	Br16 Cor(2s)	1.999999966	-62.115810514 Hartree
322	Br16 Cor(1s)	2.000000000	-481.663868011 Hartree
323	Br16 Cor(3s)	1.999992223	-10.263039849 Hartree
324	Br16 Val(4s)	1.872857025	-0.712915847 Hartree
325	Br16 Ryd(5s)	0.001522214	1.351983697 Hartree
326	Br16 Ryd(6s)	0.000046390	1.596279192 Hartree
327	Br16 Ryd(7s)	0.000003326	7.745805641 Hartree
328	Br16 Ryd(9s)	0.000000001	973.841603613 Hartree
329	Br16 Ryd(8s)	0.000000057	93.020864641 Hartree
330	Br16 Cor(2p)	1.999999844	-52.994336608 Hartree
331	Br16 Cor(3p)	1.999999626	-9.845405092 Hartree
332	Br16 Val(4p)	1.872801450	-0.301696021 Hartree
333	Br16 Ryd(5p)	0.001336671	0.550588882 Hartree
334	Br16 Ryd(6p)	0.000062800	1.008136558 Hartree
335	Br16 Ryd(7p)	0.000019439	1.945365790 Hartree
336	Br16 Ryd(8p)	0.000001072	11.803568083 Hartree
337	Br16 Ryd(9p)	0.000000002	284.809966507 Hartree
338	Br16 Cor(2p)	1.999999726	-52.997422594 Hartree
339	Br16 Cor(3p)	1.999999143	-9.855980829 Hartree
340	Br16 Val(4p)	1.224476899	-0.257171662 Hartree
341	Br16 Ryd(5p)	0.003017221	0.583028183 Hartree
342	Br16 Ryd(6p)	0.000031871	1.240911229 Hartree
343	Br16 Ryd(7p)	0.000018668	2.247311231 Hartree
344	Br16 Ryd(8p)	0.000002970	11.090375850 Hartree
345	Br16 Ryd(9p)	0.000000006	284.885938863 Hartree
346	Br16 Cor(2p)	1.999999938	-52.994107159 Hartree
347	Br16 Cor(3p)	1.999999788	-9.844579055 Hartree
348	Br16 Val(4p)	1.927324021	-0.308204470 Hartree
349	Br16 Ryd(5p)	0.001481409	0.441102184 Hartree
350	Br16 Ryd(6p)	0.000051093	0.727725263 Hartree
351	Br16 Ryd(7p)	0.000014766	1.786361418 Hartree
352	Br16 Ryd(8p)	0.000001139	12.085627512 Hartree
353	Br16 Ryd(9p)	0.000000002	284.784869926 Hartree
354	Br16 Cor(3d)	1.999926296	-2.648717943 Hartree
355	Br16 Ryd(4d)	0.001811887	1.190897533 Hartree
356	Br16 Ryd(5d)	0.000100969	2.239566038 Hartree
357	Br16 Ryd(6d)	0.000003121	6.115717659 Hartree
358	Br16 Cor(3d)	1.999976776	-2.639764735 Hartree
359	Br16 Ryd(4d)	0.000584719	0.516937744 Hartree
360	Br16 Ryd(5d)	0.000080581	1.804273803 Hartree
361	Br16 Ryd(6d)	0.000000596	6.133340969 Hartree
362	Br16 Cor(3d)	1.999968115	-2.647983630 Hartree
363	Br16 Ryd(4d)	0.002252939	0.648862441 Hartree
364	Br16 Ryd(5d)	0.000024991	1.891176176 Hartree
365	Br16 Ryd(6d)	0.000003244	6.118378166 Hartree
366	Br16 Cor(3d)	1.999919744	-2.648745377 Hartree
367	Br16 Ryd(4d)	0.002220560	1.296340537 Hartree
368	Br16 Ryd(5d)	0.000084856	2.244097133 Hartree
369	Br16 Ryd(6d)	0.000003246	6.115602807 Hartree
370	Br16 Cor(3d)	1.999944155	-2.642349225 Hartree
371	Br16 Ryd(4d)	0.001466121	0.829952358 Hartree
372	Br16 Ryd(5d)	0.000036879	1.955418944 Hartree
373	Br16 Ryd(6d)	0.000002359	6.119971277 Hartree
374	H17 Val(1s)	0.808165358	0.010527958 Hartree
375	H17 Ryd(2s)	0.000445444	0.417262538 Hartree
376	H17 Ryd(3s)	0.000036452	2.280635106 Hartree
377	H17 Ryd(2p)	0.000292891	2.216825491 Hartree
378	H17 Ryd(2p)	0.000302175	2.217301857 Hartree
379	H17 Ryd(2p)	0.000059973	1.940543435 Hartree
380	H18 Val(1s)	0.826984211	-0.000709698 Hartree
381	H18 Ryd(2s)	0.001148942	0.489837888 Hartree
382	H18 Ryd(3s)	0.000066488	2.290395794 Hartree
383	H18 Ryd(2p)	0.000123278	1.975552455 Hartree
384	H18 Ryd(2p)	0.000274001	2.142644104 Hartree
385	H18 Ryd(2p)	0.000273265	2.251317737 Hartree
386	H19 Val(1s)	0.813464267	0.011809508 Hartree
387	H19 Ryd(2s)	0.001105671	0.507944041 Hartree
388	H19 Ryd(3s)	0.000100900	2.236885390 Hartree
389	H19 Ryd(2p)	0.000403656	2.287176836 Hartree
390	H19 Ryd(2p)	0.000163341	2.061688502 Hartree
391	H19 Ryd(2p)	0.000138088	2.042673115 Hartree
392			********** Hartree

Natural Hybrid Orbitals

Display Range		- / 392
Orbital	Description	Occupancy	Energy	Actions
1	CR(1)C1 s(100.00%)	1.999984913	-10.243562390 Hartree
2	CR(1)O2 s(100.00%)	1.999993893	-19.179155656 Hartree
3	CR(1)C3 s(100.00%)	1.999985134	-10.260515531 Hartree
4	CR(1)C4 s(100.00%)	1.999984344	-10.260329652 Hartree
5	CR(1)C5 s(100.00%)	1.999986000	-10.205003229 Hartree
6	CR(1)C6 s(100.00%)	1.999985046	-10.202522686 Hartree
7	CR(1)C7 s(100.00%)	1.999985036	-10.197235153 Hartree
8	CR(1)C8 s(100.00%)	1.999985592	-10.269526218 Hartree
9	CR(1)O9 s(100.00%)	1.999993775	-19.183786980 Hartree
10	CR(1)C13 s(100.00%)	1.999984663	-10.264230371 Hartree
11	CR(1)O14 s(100.00%)	1.999994852	-19.123118945 Hartree
12	CR(1)Br16 s(100.00%)	1.999999966	-62.115810514 Hartree
13	CR(2)Br16 s(100.00%)	2.000000000	-481.663868011 Hartree
14	CR(3)Br16 s(100.00%)	1.999992223	-10.263039849 Hartree
15	CR(4)Br16 s(0.00%)p1.00(100.00%)	1.999999844	-52.994336608 Hartree
16	CR(5)Br16 s(0.00%)p1.00(100.00%)	1.999999626	-9.845405092 Hartree
17	CR(6)Br16 s(0.00%)p1.00(100.00%)	1.999999726	-52.997422594 Hartree
18	CR(7)Br16 s(0.00%)p1.00(100.00%)	1.999999143	-9.855980829 Hartree
19	CR(8)Br16 s(0.00%)p1.00(100.00%)	1.999999938	-52.994107159 Hartree
20	CR(9)Br16 s(0.00%)p1.00(100.00%)	1.999999788	-9.844579055 Hartree
21	CR(10)Br16 s(0.00%)p0.00(0.00%)d1.00(100.00%)	1.999926296	-2.648717943 Hartree
22	CR(11)Br16 s(0.00%)p0.00(0.00%)d1.00(100.00%)	1.999976776	-2.639764735 Hartree
23	CR(12)Br16 s(0.00%)p0.00(0.00%)d1.00(100.00%)	1.999968115	-2.647983630 Hartree
24	CR(13)Br16 s(0.00%)p0.00(0.00%)d1.00(100.00%)	1.999919744	-2.648745377 Hartree
25	CR(14)Br16 s(0.00%)p0.00(0.00%)d1.00(100.00%)	1.999944155	-2.642349225 Hartree
26	LP(1)O2 s(41.95%)p1.38(57.95%)d0.00(0.10%)	1.946302498	-0.529048879 Hartree
27	LP(2)O2 s(1.12%)p88.35(98.76%)d0.11(0.12%)	1.924050570	-0.348465773 Hartree
28	LP(1)O9 s(45.04%)p1.22(54.84%)d0.00(0.12%)	1.978427966	-0.552452172 Hartree
29	LP(2)O9 s(0.12%)p99.99(99.69%)d1.64(0.19%)	1.852147353	-0.351016380 Hartree
30	LP(1)O14 s(59.20%)p0.69(40.71%)d0.00(0.08%)	1.985228086	-0.572043574 Hartree
31	LP(2)O14 s(0.01%)p1.00(99.76%)d0.00(0.23%)	1.883424178	-0.275521008 Hartree
32	LP(1)Br16 s(87.52%)p0.14(12.47%)d0.00(0.01%)	1.994733323	-0.691792270 Hartree
33	LP(2)Br16 s(0.10%)p99.99(99.89%)d0.17(0.02%)	1.968045613	-0.308907191 Hartree
34	LP(3)Br16 s(0.00%)p1.00(99.98%)d0.00(0.02%)	1.930893997	-0.308632699 Hartree
35	BD(1)C1(O2) 1s(20.50%)p3.87(79.29%)d0.01(0.21%)	0.620142800	-0.068975915 Hartree
36	BD(1)O2(C1) 2s(25.46%)p2.92(74.33%)d0.01(0.21%)	1.370842925	-0.424776737 Hartree
37	BD(1)C1(H17) 1s(25.72%)p2.88(74.18%)d0.00(0.10%)	1.191918714	-0.161038272 Hartree
38	BD(1)H17(C1) 17s(99.94%)p0.00(0.06%)	0.808693497	0.011595535 Hartree
39	BD(1)C1(H18) 1s(26.64%)p2.75(73.25%)d0.00(0.11%)	1.185282194	-0.166382195 Hartree
40	BD(1)H18(C1) 18s(99.94%)p0.00(0.06%)	0.827473799	0.001038088 Hartree
41	BD(1)C1(H19) 1s(27.28%)p2.66(72.62%)d0.00(0.10%)	1.200447937	-0.166606693 Hartree
42	BD(1)H19(C1) 19s(99.94%)p0.00(0.06%)	0.813954380	0.013722816 Hartree
43	BD(1)O2(C3) 2s(31.48%)p2.17(68.32%)d0.01(0.20%)	1.339360081	-0.437153077 Hartree
44	BD(1)C3(O2) 3s(25.12%)p2.97(74.71%)d0.01(0.17%)	0.675508017	-0.051756009 Hartree
45	BD(1)C3(C4) 3s(38.92%)p1.57(60.97%)d0.00(0.12%)	1.011090570	-0.071070872 Hartree
46	BD(1)C4(C3) 4s(38.18%)p1.62(61.70%)d0.00(0.12%)	1.004466827	-0.065088438 Hartree
47	BD(1)C3(C8) 3s(35.51%)p1.81(64.38%)d0.00(0.11%)	1.008095032	-0.070093699 Hartree
48	BD(1)C8(C3) 8s(35.95%)p1.78(63.97%)d0.00(0.08%)	1.004639314	-0.068516368 Hartree
49	BD(2)C3(C8) 3s(0.01%)p1.00(99.93%)d0.00(0.07%)	1.074102360	-0.156815864 Hartree
50	BD(2)C8(C3) 8s(0.01%)p1.00(99.91%)d0.00(0.08%)	0.947556118	-0.147795275 Hartree
51	BD(1)C4(C5) 4s(40.07%)p1.49(59.82%)d0.00(0.11%)	0.997449152	-0.050211536 Hartree
52	BD(1)C5(C4) 5s(34.87%)p1.87(65.05%)d0.00(0.09%)	1.007462740	-0.053180951 Hartree
53	BD(2)C4(C5) 4s(0.00%)p1.00(99.98%)d0.00(0.02%)	1.057492902	-0.167086942 Hartree
54	BD(2)C5(C4) 5s(0.00%)p1.00(99.98%)d0.00(0.02%)	1.083243444	-0.133783297 Hartree
55	BD(1)C4(Br16) 4s(21.51%)p3.63(78.10%)d0.02(0.38%)	1.007060200	-0.242501815 Hartree
56	BD(1)Br16(C4) 16s(12.46%)p6.99(87.12%)d0.03(0.42%)	1.013181941	-0.254466412 Hartree
57	BD(1)C5(C6) 5s(34.38%)p1.91(65.53%)d0.00(0.08%)	1.024290593	-0.048315058 Hartree
58	BD(1)C6(C5) 6s(35.13%)p1.84(64.75%)d0.00(0.11%)	0.961127039	-0.018383127 Hartree
59	BD(1)C5(C13) 5s(30.65%)p2.26(69.29%)d0.00(0.06%)	1.089439209	-0.105466453 Hartree
60	BD(1)C13(C5) 13s(36.16%)p1.76(63.77%)d0.00(0.08%)	0.953408491	-0.064326978 Hartree
61	BD(1)C6(C7) 6s(36.47%)p1.74(63.42%)d0.00(0.11%)	0.986470701	-0.021313438 Hartree
62	BD(1)C7(C6) 7s(36.87%)p1.71(63.02%)d0.00(0.11%)	1.000299773	-0.025288520 Hartree
63	BD(2)C6(C7) 6s(0.00%)p1.00(99.94%)d0.00(0.06%)	0.933792374	-0.127607776 Hartree
64	BD(2)C7(C6) 7s(0.00%)p1.00(99.94%)d0.00(0.06%)	1.040626002	-0.135738311 Hartree
65	BD(1)C6(H12) 6s(28.28%)p2.53(71.67%)d0.00(0.04%)	1.230831369	-0.132705741 Hartree
66	BD(1)H12(C6) 12s(99.93%)p0.00(0.07%)	0.761581075	0.068246369 Hartree
67	BD(1)C7(C8) 7s(33.91%)p1.94(65.95%)d0.00(0.13%)	0.977672519	-0.035626875 Hartree
68	BD(1)C8(C7) 8s(38.08%)p1.62(61.86%)d0.00(0.06%)	1.019885279	-0.063038031 Hartree
69	BD(1)C7(H11) 7s(29.09%)p2.44(70.87%)d0.00(0.04%)	1.221243981	-0.140762148 Hartree
70	BD(1)H11(C7) 11s(99.93%)p0.00(0.07%)	0.771470763	0.048367939 Hartree
71	BD(1)C8(O9) 8s(25.67%)p2.89(74.19%)d0.01(0.14%)	0.678301506	-0.049857086 Hartree
72	BD(1)O9(C8) 9s(33.86%)p1.95(65.88%)d0.01(0.26%)	1.333658048	-0.447073985 Hartree
73	BD(1)O9(H10) 9s(20.91%)p3.77(78.76%)d0.02(0.33%)	1.498025369	-0.441882951 Hartree
74	BD(1)H10(O9) 10s(99.91%)p0.00(0.09%)	0.505824555	0.104355556 Hartree
75	BD(1)C13(O14) 13s(32.89%)p2.04(66.97%)d0.00(0.14%)	0.695917766	0.075188135 Hartree
76	BD(1)O14(C13) 14s(40.78%)p1.44(58.74%)d0.01(0.48%)	1.302795812	-0.386604928 Hartree
77	BD(2)C13(O14) 13s(0.00%)p1.00(99.85%)d0.00(0.15%)	0.729023349	-0.128934922 Hartree
78	BD(2)O14(C13) 14s(0.00%)p1.00(99.68%)d0.00(0.32%)	1.368852838	-0.259187319 Hartree
79	BD(1)C13(H15) 13s(31.25%)p2.20(68.67%)d0.00(0.08%)	1.181280889	-0.158343575 Hartree
80	BD(1)H15(C13) 15s(99.91%)p0.00(0.09%)	0.866792904	0.001646734 Hartree
81	RY(1)C1 s(22.61%)p2.74(61.92%)d0.68(15.47%)	0.002182188	1.202977720 Hartree
82	RY(2)C1 s(1.85%)p13.52(25.08%)d39.39(73.06%)	0.001352647	1.467673861 Hartree
83	RY(3)C1 s(3.19%)p19.77(63.06%)d10.58(33.75%)	0.001082818	1.142665838 Hartree
84	RY(4)C1 s(1.15%)p77.91(89.91%)d7.74(8.93%)	0.000527292	0.729177178 Hartree
85	RY(5)C1 s(11.62%)p2.21(25.64%)d5.40(62.74%)	0.000288022	1.376975023 Hartree
86	RY(6)C1 s(27.11%)p1.09(29.54%)d1.60(43.36%)	0.000136938	2.405781500 Hartree
87	RY(7)C1 s(14.55%)p3.24(47.18%)d2.63(38.27%)	0.000057543	0.880193012 Hartree
88	RY(8)C1 s(43.08%)p0.40(17.20%)d0.92(39.72%)	0.000038032	4.413505011 Hartree
89	RY(9)C1 s(2.31%)p12.86(29.75%)d29.36(67.94%)	0.000028489	1.552471487 Hartree
90	RY(10)C1 s(25.59%)p2.15(54.91%)d0.76(19.51%)	0.000012983	1.547607787 Hartree
91	RY(11)C1 s(20.63%)p1.14(23.56%)d2.71(55.81%)	0.000009185	2.613894989 Hartree
92	RY(12)C1 s(14.54%)p1.66(24.15%)d4.22(61.31%)	0.000005083	2.790856034 Hartree
93	RY(13)C1 s(14.13%)p2.79(39.38%)d3.29(46.49%)	0.000003749	2.354992783 Hartree
94	RY(14)C1 s(13.15%)p5.36(70.48%)d1.24(16.37%)	0.000002212	0.875240414 Hartree
95	RY(15)C1 s(44.59%)p0.82(36.63%)d0.42(18.78%)	0.000002419	10.133515906 Hartree
96	RY(16)C1 s(8.89%)p5.92(52.60%)d4.33(38.51%)	0.000000559	5.234560661 Hartree
97	RY(17)C1 s(1.33%)p10.81(14.37%)d63.42(84.30%)	0.000000209	3.760288062 Hartree
98	RY(18)C1 s(0.50%)p99.99(89.06%)d20.82(10.44%)	0.000000835	2.244351687 Hartree
99	RY(19)C1 s(12.81%)p4.24(54.27%)d2.57(32.93%)	0.000001718	3.365718716 Hartree
100	RY(20)C1 s(14.74%)p3.03(44.59%)d2.76(40.67%)	0.000000283	3.563383011 Hartree
101	RY(21)C1 s(0.56%)p3.22(1.81%)d99.99(97.62%)	0.000000147	3.421683469 Hartree
102	RY(22)C1 s(0.93%)p6.02(5.57%)d99.99(93.50%)	0.000000021	3.449508820 Hartree
103	RY(1)O2 s(1.85%)p52.40(97.18%)d0.52(0.96%)	0.005206200	0.722749155 Hartree
104	RY(2)O2 s(22.99%)p3.11(71.56%)d0.24(5.45%)	0.003698191	0.764659615 Hartree
105	RY(3)O2 s(30.49%)p2.11(64.46%)d0.17(5.05%)	0.000994879	1.371844129 Hartree
106	RY(4)O2 s(2.92%)p30.54(89.12%)d2.73(7.97%)	0.000649908	0.858208373 Hartree
107	RY(5)O2 s(25.04%)p2.35(58.82%)d0.64(16.15%)	0.000437421	1.740810664 Hartree
108	RY(6)O2 s(0.25%)p99.99(73.47%)d99.99(26.29%)	0.000347332	1.517201030 Hartree
109	RY(7)O2 s(20.73%)p0.77(15.97%)d3.05(63.30%)	0.000154904	2.006078084 Hartree
110	RY(8)O2 s(12.08%)p1.40(16.97%)d5.87(70.95%)	0.000083809	3.053058520 Hartree
111	RY(9)O2 s(8.22%)p1.70(13.99%)d9.47(77.79%)	0.000071996	3.980957268 Hartree
112	RY(10)O2 s(3.53%)p1.40(4.95%)d25.92(91.52%)	0.000026590	3.955124660 Hartree
113	RY(11)O2 s(36.93%)p0.77(28.35%)d0.94(34.72%)	0.000021667	2.457822308 Hartree
114	RY(12)O2 s(15.25%)p1.63(24.82%)d3.93(59.93%)	0.000016767	2.509472719 Hartree
115	RY(13)O2 s(7.25%)p6.07(44.03%)d6.72(48.72%)	0.000011250	4.100871946 Hartree
116	RY(14)O2 s(3.69%)p6.58(24.27%)d19.53(72.04%)	0.000004462	3.740363965 Hartree
117	RY(15)O2 s(3.98%)p14.34(57.13%)d9.76(38.89%)	0.000002778	2.075262279 Hartree
118	RY(16)O2 s(1.22%)p22.82(27.76%)d58.40(71.03%)	0.000000279	6.280610815 Hartree
119	RY(17)O2 s(0.08%)p99.99(61.99%)d99.99(37.93%)	0.000000419	5.506267160 Hartree
120	RY(18)O2 s(1.48%)p2.69(3.97%)d63.93(94.55%)	0.000000080	7.162425519 Hartree
121	RY(19)O2 s(2.66%)p20.71(55.01%)d15.94(42.34%)	0.000000915	5.466844966 Hartree
122	RY(20)O2 s(2.60%)p17.13(44.60%)d20.28(52.80%)	0.000001881	4.836616413 Hartree
123	RY(21)O2 s(1.68%)p13.20(22.19%)d45.29(76.13%)	0.000000588	7.162288232 Hartree
124	RY(22)O2 s(95.07%)p0.00(0.06%)d0.05(4.87%)	0.000000015	47.089084599 Hartree
125	RY(1)C3 s(0.67%)p99.99(91.33%)d11.89(8.00%)	0.005560270	1.470165444 Hartree
126	RY(2)C3 s(0.83%)p99.99(94.19%)d6.04(4.99%)	0.003518176	1.212973231 Hartree
127	RY(3)C3 s(2.98%)p29.80(88.78%)d2.77(8.24%)	0.002746792	0.952302435 Hartree
128	RY(4)C3 s(2.45%)p6.68(16.36%)d33.13(81.19%)	0.001528932	2.103242122 Hartree
129	RY(5)C3 s(41.83%)p0.40(16.77%)d0.99(41.40%)	0.001049065	1.979916604 Hartree
130	RY(6)C3 s(23.85%)p0.63(15.12%)d2.56(61.02%)	0.000882358	1.926225899 Hartree
131	RY(7)C3 s(6.27%)p1.83(11.46%)d13.13(82.27%)	0.000624962	1.956062306 Hartree
132	RY(8)C3 s(10.18%)p0.55(5.57%)d8.28(84.25%)	0.000493786	1.980194594 Hartree
133	RY(9)C3 s(0.39%)p99.99(47.43%)d99.99(52.18%)	0.000316095	1.945806014 Hartree
134	RY(10)C3 s(0.71%)p61.41(43.53%)d78.67(55.76%)	0.000261013	2.870529153 Hartree
135	RY(11)C3 s(8.22%)p5.49(45.15%)d5.68(46.63%)	0.000186597	1.898347467 Hartree
136	RY(12)C3 s(0.26%)p99.99(43.86%)d99.99(55.89%)	0.000126622	2.381635882 Hartree
137	RY(13)C3 s(1.38%)p32.16(44.45%)d39.19(54.17%)	0.000084930	2.446900587 Hartree
138	RY(14)C3 s(1.67%)p29.94(50.00%)d28.93(48.33%)	0.000045708	3.509276945 Hartree
139	RY(15)C3 s(8.36%)p1.62(13.53%)d9.34(78.11%)	0.000040062	4.153966457 Hartree
140	RY(16)C3 s(2.90%)p19.10(55.42%)d14.37(41.68%)	0.000018464	3.321084365 Hartree
141	RY(17)C3 s(4.28%)p11.49(49.17%)d10.88(46.55%)	0.000015268	3.068364953 Hartree
142	RY(18)C3 s(3.01%)p18.41(55.45%)d13.80(41.54%)	0.000009853	3.064134722 Hartree
143	RY(19)C3 s(49.13%)p0.86(42.41%)d0.17(8.46%)	0.000004337	9.897960911 Hartree
144	RY(20)C3 s(3.01%)p2.14(6.44%)d30.08(90.55%)	0.000003010	3.492046389 Hartree
145	RY(21)C3 s(28.06%)p2.27(63.60%)d0.30(8.33%)	0.000001339	7.220021099 Hartree
146	RY(1)C4 s(0.33%)p99.99(93.39%)d18.76(6.28%)	0.005778900	1.204899825 Hartree
147	RY(2)C4 s(0.74%)p99.99(86.50%)d17.36(12.77%)	0.005148895	0.771346011 Hartree
148	RY(3)C4 s(0.10%)p99.99(40.16%)d99.99(59.74%)	0.002621592	0.824065275 Hartree
149	RY(4)C4 s(7.94%)p1.42(11.29%)d10.18(80.78%)	0.001155633	1.665642221 Hartree
150	RY(5)C4 s(15.17%)p0.93(14.08%)d4.66(70.75%)	0.000753893	1.743536363 Hartree
151	RY(6)C4 s(33.15%)p0.43(14.39%)d1.58(52.46%)	0.000431578	2.104381321 Hartree
152	RY(7)C4 s(9.76%)p3.51(34.30%)d5.73(55.94%)	0.000310695	2.275522550 Hartree
153	RY(8)C4 s(26.70%)p0.43(11.61%)d2.31(61.69%)	0.000232337	1.670422360 Hartree
154	RY(9)C4 s(2.99%)p9.97(29.80%)d22.48(67.21%)	0.000195006	2.442683290 Hartree
155	RY(10)C4 s(5.07%)p14.78(74.90%)d3.95(20.03%)	0.000164704	1.638136395 Hartree
156	RY(11)C4 s(13.91%)p4.57(63.63%)d1.61(22.46%)	0.000136193	1.426396066 Hartree
157	RY(12)C4 s(3.04%)p16.00(48.62%)d15.91(48.34%)	0.000076743	2.915495830 Hartree
158	RY(13)C4 s(43.65%)p1.20(52.22%)d0.09(4.13%)	0.000046834	2.338206593 Hartree
159	RY(14)C4 s(3.97%)p1.53(6.07%)d22.69(89.96%)	0.000028646	3.846913404 Hartree
160	RY(15)C4 s(3.50%)p17.22(60.32%)d10.33(36.17%)	0.000017586	2.274458872 Hartree
161	RY(16)C4 s(19.26%)p3.33(64.17%)d0.86(16.57%)	0.000013210	3.439539763 Hartree
162	RY(17)C4 s(10.01%)p5.14(51.47%)d3.85(38.52%)	0.000011069	2.983955822 Hartree
163	RY(18)C4 s(3.83%)p2.30(8.82%)d22.83(87.36%)	0.000007359	3.400824056 Hartree
164	RY(19)C4 s(4.88%)p8.79(42.95%)d10.68(52.16%)	0.000002798	2.486741939 Hartree
165	RY(20)C4 s(11.37%)p0.75(8.53%)d7.04(80.10%)	0.000003221	5.329321697 Hartree
166	RY(21)C4 s(79.08%)p0.05(3.59%)d0.22(17.33%)	0.000001384	17.198265630 Hartree
167	RY(22)C4 s(1.80%)p44.28(79.58%)d10.36(18.62%)	0.000000568	3.235914975 Hartree
168	RY(1)C5 s(0.32%)p99.99(92.02%)d23.85(7.66%)	0.005850381	1.429387404 Hartree
169	RY(2)C5 s(0.35%)p99.99(95.18%)d12.69(4.47%)	0.004644810	1.296994774 Hartree
170	RY(3)C5 s(1.36%)p57.33(77.76%)d15.39(20.88%)	0.001369758	0.949240776 Hartree
171	RY(4)C5 s(81.23%)p0.07(5.42%)d0.16(13.35%)	0.000920538	1.150116675 Hartree
172	RY(5)C5 s(10.51%)p5.48(57.59%)d3.03(31.90%)	0.000672586	2.280311164 Hartree
173	RY(6)C5 s(9.02%)p3.40(30.64%)d6.69(60.34%)	0.000441956	2.472606383 Hartree
174	RY(7)C5 s(5.97%)p4.07(24.29%)d11.68(69.74%)	0.000434235	2.217498687 Hartree
175	RY(8)C5 s(0.12%)p80.48(9.54%)d99.99(90.34%)	0.000363103	1.491782503 Hartree
176	RY(9)C5 s(29.02%)p0.99(28.70%)d1.46(42.28%)	0.000348077	3.472552217 Hartree
177	RY(10)C5 s(22.40%)p0.22(4.87%)d3.25(72.73%)	0.000155004	3.431805548 Hartree
178	RY(11)C5 s(13.30%)p2.96(39.36%)d3.56(47.33%)	0.000127027	3.647356995 Hartree
179	RY(12)C5 s(11.96%)p1.12(13.36%)d6.24(74.68%)	0.000073138	2.735314495 Hartree
180	RY(13)C5 s(0.54%)p14.36(7.74%)d99.99(91.72%)	0.000046219	2.954107344 Hartree
181	RY(14)C5 s(5.15%)p14.78(76.09%)d3.65(18.77%)	0.000028339	3.013462468 Hartree
182	RY(15)C5 s(8.93%)p4.19(37.37%)d6.02(53.70%)	0.000021050	2.768977873 Hartree
183	RY(16)C5 s(4.07%)p7.39(30.10%)d16.17(65.83%)	0.000009030	2.540624255 Hartree
184	RY(17)C5 s(40.42%)p0.90(36.25%)d0.58(23.32%)	0.000005524	8.105722168 Hartree
185	RY(18)C5 s(7.85%)p5.37(42.14%)d6.37(50.01%)	0.000003528	4.744500359 Hartree
186	RY(19)C5 s(37.49%)p0.19(7.23%)d1.47(55.28%)	0.000004017	8.124419918 Hartree
187	RY(20)C5 s(5.73%)p7.66(43.87%)d8.80(50.40%)	0.000002439	2.532524916 Hartree
188	RY(21)C5 s(4.16%)p10.12(42.15%)d12.89(53.69%)	0.000001185	2.148037311 Hartree
189	RY(22)C5 s(0.19%)p99.99(98.50%)d6.85(1.31%)	0.000000071	2.781033732 Hartree
190	RY(1)C6 s(1.46%)p63.77(93.22%)d3.63(5.31%)	0.005523100	1.396936778 Hartree
191	RY(2)C6 s(0.70%)p99.99(96.17%)d4.47(3.13%)	0.002730569	1.061306150 Hartree
192	RY(3)C6 s(0.15%)p99.99(45.36%)d99.99(54.49%)	0.000790032	1.460614129 Hartree
193	RY(4)C6 s(4.67%)p3.71(17.34%)d16.70(77.99%)	0.000465297	1.216165494 Hartree
194	RY(5)C6 s(28.89%)p0.81(23.41%)d1.65(47.69%)	0.000320623	2.202718764 Hartree
195	RY(6)C6 s(23.03%)p2.38(54.92%)d0.96(22.05%)	0.000294226	2.795494275 Hartree
196	RY(7)C6 s(0.52%)p28.08(14.66%)d99.99(84.82%)	0.000194602	2.569853007 Hartree
197	RY(8)C6 s(16.01%)p2.30(36.88%)d2.94(47.11%)	0.000173705	1.889069898 Hartree
198	RY(9)C6 s(10.23%)p0.25(2.53%)d8.53(87.24%)	0.000132764	2.253806512 Hartree
199	RY(10)C6 s(0.91%)p59.34(53.93%)d49.69(45.16%)	0.000069305	1.341760681 Hartree
200	RY(11)C6 s(18.76%)p2.44(45.74%)d1.89(35.51%)	0.000037455	2.051230607 Hartree
201	RY(12)C6 s(7.25%)p8.86(64.25%)d3.93(28.50%)	0.000029801	1.595432316 Hartree
202	RY(13)C6 s(30.84%)p1.69(51.98%)d0.56(17.18%)	0.000012455	4.326176284 Hartree
203	RY(14)C6 s(51.56%)p0.35(18.26%)d0.59(30.19%)	0.000009868	12.061484649 Hartree
204	RY(15)C6 s(7.80%)p4.28(33.37%)d7.55(58.83%)	0.000008246	1.744215522 Hartree
205	RY(16)C6 s(54.20%)p0.43(23.49%)d0.41(22.30%)	0.000004194	2.202027518 Hartree
206	RY(17)C6 s(27.07%)p1.42(38.35%)d1.28(34.57%)	0.000003068	4.675211735 Hartree
207	RY(18)C6 s(0.04%)p99.99(17.31%)d99.99(82.66%)	0.000000021	3.083128555 Hartree
208	RY(19)C6 s(4.01%)p8.69(34.80%)d15.27(61.20%)	0.000001021	2.238156672 Hartree
209	RY(20)C6 s(8.23%)p0.92(7.60%)d10.22(84.17%)	0.000001846	5.050068799 Hartree
210	RY(21)C6 s(0.59%)p99.99(91.60%)d13.31(7.81%)	0.000000157	2.661162189 Hartree
211	RY(22)C6 s(3.20%)p10.95(35.04%)d19.31(61.76%)	0.000000518	3.335144685 Hartree
212	RY(1)C7 s(1.67%)p54.80(91.35%)d4.19(6.99%)	0.004929025	1.357118762 Hartree
213	RY(2)C7 s(0.54%)p99.99(96.25%)d5.93(3.21%)	0.002359480	1.131865899 Hartree
214	RY(3)C7 s(0.49%)p99.99(92.30%)d14.82(7.21%)	0.000806411	0.430764403 Hartree
215	RY(4)C7 s(33.38%)p0.19(6.41%)d1.80(60.21%)	0.000447481	2.208971861 Hartree
216	RY(5)C7 s(18.25%)p0.27(4.93%)d4.21(76.82%)	0.000383017	2.373872537 Hartree
217	RY(6)C7 s(4.61%)p11.52(53.18%)d9.15(42.21%)	0.000205918	3.630142406 Hartree
218	RY(7)C7 s(18.58%)p0.85(15.86%)d3.53(65.56%)	0.000186463	1.850135518 Hartree
219	RY(8)C7 s(0.52%)p14.64(7.54%)d99.99(91.94%)	0.000175489	1.228144184 Hartree
220	RY(9)C7 s(11.21%)p5.06(56.69%)d2.86(32.10%)	0.000065434	2.643640846 Hartree
221	RY(10)C7 s(16.95%)p1.89(32.08%)d3.01(50.97%)	0.000059535	1.990536196 Hartree
222	RY(11)C7 s(20.12%)p0.33(6.63%)d3.64(73.25%)	0.000039420	2.181951633 Hartree
223	RY(12)C7 s(33.68%)p0.63(21.29%)d1.34(45.03%)	0.000019036	3.142698917 Hartree
224	RY(13)C7 s(4.63%)p5.73(26.49%)d14.89(68.88%)	0.000010517	2.063029445 Hartree
225	RY(14)C7 s(10.70%)p5.91(63.24%)d2.44(26.06%)	0.000010006	4.139687072 Hartree
226	RY(15)C7 s(20.22%)p2.00(40.43%)d1.95(39.34%)	0.000007661	4.121715385 Hartree
227	RY(16)C7 s(45.73%)p0.89(40.62%)d0.30(13.65%)	0.000006192	8.260801419 Hartree
228	RY(17)C7 s(17.40%)p1.04(18.10%)d3.71(64.50%)	0.000003362	4.850245940 Hartree
229	RY(18)C7 s(27.40%)p1.64(45.06%)d1.01(27.54%)	0.000004107	4.107130835 Hartree
230	RY(19)C7 s(4.22%)p15.15(63.98%)d7.53(31.80%)	0.000002312	2.165608190 Hartree
231	RY(20)C7 s(0.04%)p99.99(93.10%)d99.99(6.86%)	0.000000094	2.561972656 Hartree
232	RY(21)C7 s(0.07%)p86.08(5.76%)d99.99(94.18%)	0.000000024	3.287725543 Hartree
233	RY(22)C7 s(9.71%)p1.95(18.93%)d7.35(71.36%)	0.000001016	4.934969485 Hartree
234	RY(1)C8 s(1.99%)p48.04(95.53%)d1.25(2.48%)	0.006470651	1.143283089 Hartree
235	RY(2)C8 s(7.06%)p12.35(87.21%)d0.81(5.73%)	0.002889160	1.576338292 Hartree
236	RY(3)C8 s(15.39%)p0.35(5.43%)d5.15(79.18%)	0.002054885	1.918586571 Hartree
237	RY(4)C8 s(27.24%)p0.44(11.88%)d2.23(60.88%)	0.001734550	1.846487629 Hartree
238	RY(5)C8 s(18.19%)p1.25(22.71%)d3.25(59.10%)	0.000810412	2.185754994 Hartree
239	RY(6)C8 s(9.59%)p1.06(10.14%)d8.37(80.27%)	0.000716558	1.876058925 Hartree
240	RY(7)C8 s(6.84%)p7.99(54.68%)d5.62(38.48%)	0.000434409	2.731101279 Hartree
241	RY(8)C8 s(3.37%)p11.11(37.42%)d17.57(59.21%)	0.000278577	1.895070314 Hartree
242	RY(9)C8 s(8.95%)p3.68(32.91%)d6.50(58.14%)	0.000249552	3.399834678 Hartree
243	RY(10)C8 s(7.54%)p8.01(60.39%)d4.26(32.08%)	0.000163493	2.109940543 Hartree
244	RY(11)C8 s(15.07%)p1.30(19.59%)d4.34(65.35%)	0.000106696	3.451632942 Hartree
245	RY(12)C8 s(21.55%)p3.00(64.60%)d0.64(13.85%)	0.000055091	3.459933733 Hartree
246	RY(13)C8 s(3.86%)p3.98(15.37%)d20.92(80.77%)	0.000051010	2.601275262 Hartree
247	RY(14)C8 s(32.41%)p0.61(19.71%)d1.48(47.88%)	0.000028034	2.718721015 Hartree
248	RY(15)C8 s(26.63%)p1.57(41.84%)d1.18(31.53%)	0.000019365	3.391669225 Hartree
249	RY(16)C8 s(18.41%)p2.97(54.59%)d1.47(27.00%)	0.000014766	3.338587365 Hartree
250	RY(17)C8 s(46.27%)p0.69(32.09%)d0.47(21.64%)	0.000011009	7.084514508 Hartree
251	RY(18)C8 s(2.77%)p20.15(55.83%)d14.95(41.40%)	0.000005874	1.887739396 Hartree
252	RY(19)C8 s(3.81%)p15.62(59.57%)d9.60(36.62%)	0.000003424	2.375759458 Hartree
253	RY(20)C8 s(8.69%)p5.58(48.51%)d4.93(42.80%)	0.000002090	2.654644156 Hartree
254	RY(21)C8 s(9.20%)p0.58(5.32%)d9.29(85.48%)	0.000001615	4.556087501 Hartree
255	RY(22)C8 s(5.48%)p11.82(64.74%)d5.44(29.78%)	0.000000760	2.629611648 Hartree
256	RY(1)O9 s(0.42%)p99.99(95.13%)d10.63(4.45%)	0.002410833	0.620044406 Hartree
257	RY(2)O9 s(2.75%)p34.31(94.41%)d1.03(2.84%)	0.002083794	0.786983898 Hartree
258	RY(3)O9 s(0.09%)p99.99(88.93%)d99.99(10.98%)	0.000461590	0.624778698 Hartree
259	RY(4)O9 s(24.95%)p2.72(67.78%)d0.29(7.27%)	0.000173492	1.624949173 Hartree
260	RY(5)O9 s(10.22%)p1.29(13.22%)d7.49(76.56%)	0.000152265	2.196953517 Hartree
261	RY(6)O9 s(4.05%)p3.37(13.64%)d20.33(82.31%)	0.000072585	2.095824257 Hartree
262	RY(7)O9 s(14.39%)p0.44(6.28%)d5.51(79.33%)	0.000061733	2.055390831 Hartree
263	RY(8)O9 s(32.02%)p1.65(52.76%)d0.48(15.22%)	0.000034102	1.077773857 Hartree
264	RY(9)O9 s(6.49%)p3.71(24.09%)d10.69(69.41%)	0.000019785	1.942819208 Hartree
265	RY(10)O9 s(6.31%)p10.80(68.13%)d4.05(25.56%)	0.000013946	1.203683078 Hartree
266	RY(11)O9 s(18.88%)p2.09(39.47%)d2.21(41.65%)	0.000005975	2.493744012 Hartree
267	RY(12)O9 s(1.11%)p19.46(21.66%)d69.35(77.22%)	0.000004256	2.107711151 Hartree
268	RY(13)O9 s(54.07%)p0.71(38.26%)d0.14(7.68%)	0.000002211	2.543536698 Hartree
269	RY(14)O9 s(4.87%)p8.15(39.64%)d11.40(55.49%)	0.000000549	5.727210322 Hartree
270	RY(15)O9 s(2.35%)p20.66(48.61%)d20.84(49.04%)	0.000000012	6.637256164 Hartree
271	RY(16)O9 s(54.78%)p0.08(4.49%)d0.74(40.73%)	0.000000168	30.145519932 Hartree
272	RY(17)O9 s(13.24%)p2.39(31.57%)d4.17(55.19%)	0.000000589	5.247334223 Hartree
273	RY(18)O9 s(40.66%)p0.13(5.10%)d1.33(54.24%)	0.000000062	23.590924818 Hartree
274	RY(19)O9 s(0.02%)p31.28(0.56%)d99.99(99.42%)	0.000000002	6.721329257 Hartree
275	RY(20)O9 s(4.15%)p20.08(83.29%)d3.03(12.56%)	0.000000700	5.266464891 Hartree
276	RY(21)O9 s(2.96%)p6.99(20.69%)d25.80(76.35%)	0.000000290	6.270673422 Hartree
277	RY(22)O9 s(1.30%)p33.06(43.11%)d42.63(55.59%)	0.000000018	6.401147429 Hartree
278	RY(1)H10 s(94.17%)p0.06(5.83%)	0.001709269	1.458099793 Hartree
279	RY(2)H10 s(1.99%)p49.37(98.01%)	0.000900650	1.779288856 Hartree
280	RY(3)H10 s(15.87%)p5.30(84.13%)	0.000439226	2.018085972 Hartree
281	RY(4)H10 s(74.30%)p0.35(25.70%)	0.000166060	1.969227531 Hartree
282	RY(5)H10 s(13.77%)p6.26(86.23%)	0.000009199	2.499219137 Hartree
283	RY(1)H11 s(97.96%)p0.02(2.04%)	0.001368023	0.641376240 Hartree
284	RY(2)H11 s(68.39%)p0.46(31.61%)	0.000262824	2.613515834 Hartree
285	RY(3)H11 s(0.00%)p1.00(100.00%)	0.000130408	1.809050434 Hartree
286	RY(4)H11 s(1.75%)p56.05(98.25%)	0.000049626	2.219135513 Hartree
287	RY(5)H11 s(31.96%)p2.13(68.04%)	0.000032726	2.275013366 Hartree
288	RY(1)H12 s(98.74%)p0.01(1.26%)	0.001721560	0.748226788 Hartree
289	RY(2)H12 s(71.20%)p0.40(28.80%)	0.000349109	2.610105078 Hartree
290	RY(3)H12 s(0.00%)p1.00(100.00%)	0.000105436	1.803708669 Hartree
291	RY(4)H12 s(1.88%)p52.17(98.12%)	0.000060417	2.225032047 Hartree
292	RY(5)H12 s(28.26%)p2.54(71.74%)	0.000029058	2.258413776 Hartree
293	RY(1)C13 s(20.10%)p3.96(79.52%)d0.02(0.38%)	0.011675146	1.103392295 Hartree
294	RY(2)C13 s(34.38%)p0.37(12.72%)d1.54(52.90%)	0.004041010	1.882576626 Hartree
295	RY(3)C13 s(5.03%)p16.60(83.55%)d2.27(11.42%)	0.001757895	1.250082297 Hartree
296	RY(4)C13 s(0.01%)p1.00(1.78%)d55.26(98.22%)	0.001315861	1.732697333 Hartree
297	RY(5)C13 s(31.27%)p0.85(26.60%)d1.35(42.14%)	0.000402109	2.367748639 Hartree
298	RY(6)C13 s(0.13%)p99.99(90.60%)d69.37(9.26%)	0.000291410	0.575684644 Hartree
299	RY(7)C13 s(5.25%)p8.99(47.17%)d9.07(47.59%)	0.000221954	1.882774442 Hartree
300	RY(8)C13 s(3.96%)p1.52(6.02%)d22.73(90.02%)	0.000168459	2.996629843 Hartree
301	RY(9)C13 s(12.90%)p1.62(20.89%)d5.13(66.21%)	0.000052678	2.183634975 Hartree
302	RY(10)C13 s(16.05%)p0.85(13.64%)d4.38(70.31%)	0.000023838	2.504239940 Hartree
303	RY(11)C13 s(34.36%)p0.54(18.42%)d1.37(47.22%)	0.000019139	1.515642611 Hartree
304	RY(12)C13 s(21.02%)p2.49(52.44%)d1.26(26.54%)	0.000012902	2.556291084 Hartree
305	RY(13)C13 s(2.37%)p35.78(84.77%)d5.43(12.86%)	0.000008450	0.878408528 Hartree
306	RY(14)C13 s(32.42%)p1.21(39.21%)d0.88(28.37%)	0.000007194	7.680077209 Hartree
307	RY(15)C13 s(25.35%)p2.54(64.41%)d0.40(10.24%)	0.000004769	2.028094053 Hartree
308	RY(16)C13 s(16.59%)p4.13(68.51%)d0.90(14.90%)	0.000002753	2.536037956 Hartree
309	RY(17)C13 s(8.28%)p7.94(65.76%)d3.14(25.97%)	0.000001601	3.688812193 Hartree
310	RY(18)C13 s(22.06%)p0.11(2.47%)d3.42(75.47%)	0.000002239	6.545079807 Hartree
311	RY(19)C13 s(6.65%)p5.63(37.45%)d8.41(55.90%)	0.000000343	4.698670859 Hartree
312	RY(20)C13 s(0.71%)p20.85(14.84%)d99.99(84.45%)	0.000000590	2.717501174 Hartree
313	RY(21)C13 s(0.06%)p94.55(5.32%)d99.99(94.62%)	0.000000032	3.138139591 Hartree
314	RY(22)C13 s(0.77%)p84.10(64.67%)d44.94(34.56%)	0.000000513	2.878445795 Hartree
315	RY(1)O14 s(0.01%)p1.00(98.53%)d0.01(1.46%)	0.003900201	0.861686359 Hartree
316	RY(2)O14 s(0.01%)p1.00(93.48%)d0.07(6.52%)	0.000648732	0.670101091 Hartree
317	RY(3)O14 s(46.88%)p1.10(51.34%)d0.04(1.79%)	0.000481716	1.328896832 Hartree
318	RY(4)O14 s(20.72%)p1.25(25.87%)d2.58(53.41%)	0.000109746	2.590861480 Hartree
319	RY(5)O14 s(3.18%)p15.80(50.23%)d14.66(46.59%)	0.000026669	1.605358964 Hartree
320	RY(6)O14 s(30.73%)p0.69(21.21%)d1.56(48.06%)	0.000017412	1.697074296 Hartree
321	RY(7)O14 s(1.39%)p39.48(54.90%)d31.44(43.71%)	0.000006543	1.271434710 Hartree
322	RY(8)O14 s(16.18%)p2.51(40.57%)d2.67(43.25%)	0.000006085	2.618463013 Hartree
323	RY(9)O14 s(0.21%)p99.99(48.69%)d99.99(51.10%)	0.000004173	1.386619143 Hartree
324	RY(10)O14 s(0.95%)p82.98(78.95%)d21.13(20.10%)	0.000002868	3.794299090 Hartree
325	RY(11)O14 s(24.71%)p0.73(18.00%)d2.32(57.29%)	0.000001258	2.770039380 Hartree
326	RY(12)O14 s(22.16%)p1.65(36.54%)d1.86(41.30%)	0.000001575	3.434392332 Hartree
327	RY(13)O14 s(21.19%)p0.53(11.24%)d3.19(67.57%)	0.000001927	2.731097412 Hartree
328	RY(14)O14 s(70.22%)p0.19(13.25%)d0.24(16.52%)	0.000000133	36.574360384 Hartree
329	RY(15)O14 s(0.22%)p99.99(90.92%)d39.64(8.86%)	0.000000011	5.021487285 Hartree
330	RY(16)O14 s(10.37%)p1.41(14.65%)d7.23(74.98%)	0.000000084	10.232690245 Hartree
331	RY(17)O14 s(0.01%)p1.00(0.71%)d99.99(99.28%)	0.000000000	6.755574219 Hartree
332	RY(18)O14 s(0.01%)p1.00(0.36%)d99.99(99.63%)	0.000000000	6.751614023 Hartree
333	RY(19)O14 s(2.59%)p21.04(54.51%)d16.55(42.90%)	0.000000252	5.477483068 Hartree
334	RY(20)O14 s(3.69%)p7.78(28.72%)d18.32(67.59%)	0.000000066	6.966117083 Hartree
335	RY(21)O14 s(24.51%)p2.47(60.49%)d0.61(15.00%)	0.000000591	5.567618421 Hartree
336	RY(22)O14 s(0.08%)p99.65(7.95%)d99.99(91.97%)	0.000000006	6.725012053 Hartree
337	RY(1)H15 s(96.36%)p0.04(3.64%)	0.002025371	0.656981529 Hartree
338	RY(2)H15 s(68.19%)p0.47(31.81%)	0.000191027	2.240630209 Hartree
339	RY(3)H15 s(2.50%)p38.96(97.50%)	0.000099489	2.594365017 Hartree
340	RY(4)H15 s(0.01%)p99.99(99.99%)	0.000067962	1.746936426 Hartree
341	RY(5)H15 s(33.04%)p2.03(66.96%)	0.000052854	2.155853403 Hartree
342	RY(1)Br16 s(0.53%)p66.19(35.16%)d99.99(64.30%)	0.003082804	0.508239361 Hartree
343	RY(2)Br16 s(23.39%)p1.02(23.90%)d2.25(52.71%)	0.001548677	0.713744746 Hartree
344	RY(3)Br16 s(0.32%)p99.99(75.84%)d75.29(23.85%)	0.000991696	0.790247525 Hartree
345	RY(4)Br16 s(0.77%)p9.68(7.48%)d99.99(91.75%)	0.000475652	0.481146328 Hartree
346	RY(5)Br16 s(8.73%)p4.31(37.60%)d6.15(53.67%)	0.000327613	0.545836796 Hartree
347	RY(6)Br16 s(2.34%)p11.19(26.23%)d30.47(71.42%)	0.000145813	0.886154150 Hartree
348	RY(7)Br16 s(1.53%)p29.27(44.77%)d35.12(53.70%)	0.000094969	1.035104129 Hartree
349	RY(8)Br16 s(37.71%)p0.68(25.51%)d0.98(36.78%)	0.000055728	1.222277456 Hartree
350	RY(9)Br16 s(0.70%)p76.84(53.98%)d64.51(45.32%)	0.000041958	1.433658252 Hartree
351	RY(10)Br16 s(28.85%)p0.49(14.18%)d1.97(56.97%)	0.000038451	2.741485555 Hartree
352	RY(11)Br16 s(1.41%)p50.21(70.81%)d19.70(27.78%)	0.000022248	1.188790255 Hartree
353	RY(12)Br16 s(0.39%)p99.99(86.67%)d32.99(12.94%)	0.000015882	2.537146330 Hartree
354	RY(13)Br16 s(15.14%)p0.53(8.01%)d5.08(76.85%)	0.000012623	2.297940844 Hartree
355	RY(14)Br16 s(28.36%)p1.38(39.02%)d1.15(32.63%)	0.000010801	2.534124674 Hartree
356	RY(15)Br16 s(28.57%)p2.19(62.50%)d0.31(8.93%)	0.000008933	1.172036716 Hartree
357	RY(16)Br16 s(15.21%)p5.23(79.54%)d0.34(5.24%)	0.000005988	4.007874782 Hartree
358	RY(17)Br16 s(9.76%)p3.27(31.91%)d5.98(58.33%)	0.000002626	2.176571070 Hartree
359	RY(18)Br16 s(4.62%)p8.08(37.31%)d12.57(58.07%)	0.000002898	3.144470335 Hartree
360	RY(19)Br16 s(12.19%)p2.20(26.81%)d5.00(61.00%)	0.000003370	4.321467505 Hartree
361	RY(20)Br16 s(5.12%)p6.32(32.36%)d12.21(62.52%)	0.000001728	2.689676602 Hartree
362	RY(21)Br16 s(15.98%)p0.79(12.59%)d4.47(71.43%)	0.000000275	8.040623829 Hartree
363	RY(22)Br16 s(95.90%)p0.04(4.02%)d0.00(0.07%)	0.000000000	926.339732923 Hartree
364	RY(23)Br16 s(11.26%)p5.19(58.44%)d2.69(30.30%)	0.000000373	3.582772890 Hartree
365	RY(24)Br16 s(6.19%)p10.14(62.82%)d5.00(30.99%)	0.000000024	15.553419589 Hartree
366	RY(25)Br16 s(3.03%)p31.78(96.27%)d0.23(0.70%)	0.000000000	304.695147677 Hartree
367	RY(26)Br16 s(0.89%)p96.87(86.60%)d13.98(12.50%)	0.000000159	9.361011070 Hartree
368	RY(27)Br16 s(25.82%)p1.05(27.11%)d1.82(47.07%)	0.000000219	7.086969460 Hartree
369	RY(28)Br16 s(1.00%)p97.46(97.47%)d1.53(1.53%)	0.000000000	287.450344767 Hartree
370	RY(29)Br16 s(2.34%)p5.72(13.36%)d36.09(84.30%)	0.000000002	36.755330136 Hartree
371	RY(30)Br16 s(64.64%)p0.20(12.63%)d0.35(22.72%)	0.000000007	94.629899017 Hartree
372	RY(31)Br16 s(2.53%)p12.80(32.38%)d25.74(65.10%)	0.000000173	5.418387617 Hartree
373	RY(32)Br16 s(17.11%)p4.54(77.72%)d0.30(5.18%)	0.000000001	252.876482862 Hartree
374	RY(33)Br16 s(4.18%)p11.29(47.13%)d11.66(48.70%)	0.000000065	12.398000654 Hartree
375	RY(34)Br16 s(13.89%)p2.10(29.13%)d4.10(56.98%)	0.000000937	3.939867785 Hartree
376	RY(35)Br16 s(9.50%)p2.45(23.29%)d7.07(67.21%)	0.000000015	18.195774734 Hartree
377	RY(1)H17 s(99.00%)p0.01(1.00%)	0.000449975	0.446425816 Hartree
378	RY(2)H17 s(8.69%)p10.51(91.31%)	0.000057283	1.895964338 Hartree
379	RY(3)H17 s(0.41%)p99.99(99.59%)	0.000058138	2.310915566 Hartree
380	RY(4)H17 s(91.92%)p0.09(8.08%)	0.000034630	2.302655873 Hartree
381	RY(5)H17 s(0.05%)p99.99(99.95%)	0.000008770	2.115539256 Hartree
382	RY(1)H18 s(99.17%)p0.01(0.83%)	0.001166850	0.494899581 Hartree
383	RY(2)H18 s(33.85%)p1.95(66.15%)	0.000097964	2.103724773 Hartree
384	RY(3)H18 s(18.46%)p4.42(81.54%)	0.000057666	2.043053208 Hartree
385	RY(4)H18 s(48.16%)p1.08(51.84%)	0.000048091	2.124671689 Hartree
386	RY(5)H18 s(0.42%)p99.99(99.58%)	0.000025815	2.381650941 Hartree
387	RY(1)H19 s(99.54%)p0.00(0.46%)	0.001119614	0.507497786 Hartree
388	RY(2)H19 s(47.65%)p1.10(52.35%)	0.000147329	2.086286802 Hartree
389	RY(3)H19 s(43.30%)p1.31(56.70%)	0.000065021	2.475139514 Hartree
390	RY(4)H19 s(0.27%)p99.99(99.73%)	0.000059052	1.911356985 Hartree
391	RY(5)H19 s(9.30%)p9.75(90.70%)	0.000030526	2.154173491 Hartree
392			********** Hartree

Natural Bond Orbitals

Display Range		- / 392
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	CR(1)C1	1129	1.999984913	-10.243562390 Hartree
2	CR(1)O2	1130	1.999993893	-19.179155656 Hartree
3	CR(1)C3	1131	1.999985134	-10.260515531 Hartree
4	CR(1)C4	1132	1.999984344	-10.260329652 Hartree
5	CR(1)C5	1133	1.999986000	-10.205003229 Hartree
6	CR(1)C6	1134	1.999985046	-10.202522686 Hartree
7	CR(1)C7	1135	1.999985036	-10.197235153 Hartree
8	CR(1)C8	1136	1.999985592	-10.269526218 Hartree
9	CR(1)O9	1137	1.999993775	-19.183786980 Hartree
10	CR(1)C13	1138	1.999984663	-10.264230371 Hartree
11	CR(1)O14	1139	1.999994852	-19.123118945 Hartree
12	CR(1)Br16	1140	1.999999966	-62.115810514 Hartree
13	CR(2)Br16	1141	2.000000000	-481.663868011 Hartree
14	CR(3)Br16	1142	1.999992223	-10.263039849 Hartree
15	CR(4)Br16	1143	1.999999844	-52.994336608 Hartree
16	CR(5)Br16	1144	1.999999626	-9.845405092 Hartree
17	CR(6)Br16	1145	1.999999726	-52.997422594 Hartree
18	CR(7)Br16	1146	1.999999143	-9.855980829 Hartree
19	CR(8)Br16	1147	1.999999938	-52.994107159 Hartree
20	CR(9)Br16	1148	1.999999788	-9.844579055 Hartree
21	CR(10)Br16	1149	1.999926296	-2.648717943 Hartree
22	CR(11)Br16	1150	1.999976776	-2.639764735 Hartree
23	CR(12)Br16	1151	1.999968115	-2.647983630 Hartree
24	CR(13)Br16	1152	1.999919744	-2.648745377 Hartree
25	CR(14)Br16	1153	1.999944155	-2.642349225 Hartree
26	LP(1)O2	1154	1.946302498	-0.529048879 Hartree
27	LP(2)O2	1155	1.924050570	-0.348465773 Hartree
28	LP(1)O9	1156	1.978427966	-0.552452172 Hartree
29	LP(2)O9	1157	1.852147353	-0.351016380 Hartree
30	LP(1)O14	1158	1.985228086	-0.572043574 Hartree
31	LP(2)O14	1159	1.883424178	-0.275521008 Hartree
32	LP(1)Br16	1160	1.994733323	-0.691792270 Hartree
33	LP(2)Br16	1161	1.968045613	-0.308907191 Hartree
34	LP(3)Br16	1162	1.930893997	-0.308632699 Hartree
35	BD(1)C1-O2	1163, 1164	1.980564632	-0.731336297 Hartree
36	BD(1)C1-H17	1165, 1166	1.992019434	-0.518412185 Hartree
37	BD(1)C1-H18	1167, 1168	1.996642979	-0.522039739 Hartree
38	BD(1)C1-H19	1169, 1170	1.996422671	-0.520244470 Hartree
39	BD(1)O2-C3	1171, 1172	1.988790024	-0.807371659 Hartree
40	BD(1)C3-C4	1173, 1174	1.977738595	-0.662687536 Hartree
41	BD(1)C3-C8	1175, 1176	1.968338296	-0.647040198 Hartree
42	BD(2)C3-C8	1177, 1178	1.607444368	-0.294104235 Hartree
43	BD(1)C4-C5	1179, 1180	1.976059964	-0.642772232 Hartree
44	BD(2)C4-C5	1181, 1182	1.669605271	-0.290314005 Hartree
45	BD(1)C4-Br16	1183, 1184	1.980981875	-0.562680652 Hartree
46	BD(1)C5-C6	1185, 1186	1.962715217	-0.608467520 Hartree
47	BD(1)C5-C13	1187, 1188	1.979827461	-0.595929786 Hartree
48	BD(1)C6-C7	1189, 1190	1.975811057	-0.621465619 Hartree
49	BD(2)C6-C7	1191, 1192	1.688815628	-0.276608028 Hartree
50	BD(1)C6-H12	1193, 1194	1.977035834	-0.495201851 Hartree
51	BD(1)C7-C8	1195, 1196	1.974837642	-0.634129540 Hartree
52	BD(1)C7-H11	1197, 1198	1.979162780	-0.504989283 Hartree
53	BD(1)C8-O9	1199, 1200	1.993001257	-0.840479825 Hartree
54	BD(1)O9-H10	1201, 1202	1.986557620	-0.712279745 Hartree
55	BD(1)C13-O14	1203, 1204	1.995509293	-0.915826172 Hartree
56	BD(2)C13-O14	1205, 1206	1.980245004	-0.388126865 Hartree
57	BD(1)C13-H15	1207, 1208	1.986048549	-0.516206123 Hartree
58	BD*(1)C1-O2		0.010421093	0.237583644 Hartree
59	BD*(1)C1-H17		0.008592777	0.368969448 Hartree
60	BD*(1)C1-H18		0.016113014	0.356695632 Hartree
61	BD*(1)C1-H19		0.017979646	0.367360592 Hartree
62	BD*(1)O2-C3		0.026078075	0.318462573 Hartree
63	BD*(1)C3-C4		0.037818802	0.526528225 Hartree
64	BD*(1)C3-C8		0.044396051	0.508430130 Hartree
65	BD*(2)C3-C8		0.414214110	-0.010506905 Hartree
66	BD*(1)C4-C5		0.028851928	0.539379745 Hartree
67	BD*(2)C4-C5		0.471131075	-0.010556234 Hartree
68	BD*(1)C4-Br16		0.039260266	0.065712424 Hartree
69	BD*(1)C5-C6		0.022702416	0.541769335 Hartree
70	BD*(1)C5-C13		0.063020239	0.426136355 Hartree
71	BD*(1)C6-C7		0.010959416	0.574863660 Hartree
72	BD*(2)C6-C7		0.285602748	0.013261941 Hartree
73	BD*(1)C6-H12		0.015376610	0.430742479 Hartree
74	BD*(1)C7-C8		0.022720156	0.535464634 Hartree
75	BD*(1)C7-H11		0.013551964	0.412595074 Hartree
76	BD*(1)C8-O9		0.018958297	0.343548754 Hartree
77	BD*(1)O9-H10		0.017292303	0.374752350 Hartree
78	BD*(1)C13-O14		0.003204285	0.604409379 Hartree
79	BD*(2)C13-O14		0.117631184	0.000004624 Hartree
80	BD*(1)C13-H15		0.062025244	0.359509282 Hartree
81	RY(1)C1	1209	0.002182188	1.202977720 Hartree
82	RY(2)C1	1210	0.001352647	1.467673861 Hartree
83	RY(3)C1	1211	0.001082818	1.142665838 Hartree
84	RY(4)C1	1212	0.000527292	0.729177178 Hartree
85	RY(5)C1	1213	0.000288022	1.376975023 Hartree
86	RY(6)C1	1214	0.000136938	2.405781500 Hartree
87	RY(7)C1	1215	0.000057543	0.880193012 Hartree
88	RY(8)C1	1216	0.000038032	4.413505011 Hartree
89	RY(9)C1	1217	0.000028489	1.552471487 Hartree
90	RY(10)C1	1218	0.000012983	1.547607787 Hartree
91	RY(11)C1	1219	0.000009185	2.613894989 Hartree
92	RY(12)C1	1220	0.000005083	2.790856034 Hartree
93	RY(13)C1	1221	0.000003749	2.354992783 Hartree
94	RY(14)C1	1222	0.000002212	0.875240414 Hartree
95	RY(15)C1	1223	0.000002419	10.133515906 Hartree
96	RY(16)C1	1224	0.000000559	5.234560661 Hartree
97	RY(17)C1	1225	0.000000209	3.760288062 Hartree
98	RY(18)C1	1226	0.000000835	2.244351687 Hartree
99	RY(19)C1	1227	0.000001718	3.365718716 Hartree
100	RY(20)C1	1228	0.000000283	3.563383011 Hartree
101	RY(21)C1	1229	0.000000147	3.421683469 Hartree
102	RY(22)C1	1230	0.000000021	3.449508820 Hartree
103	RY(1)O2	1231	0.005206200	0.722749155 Hartree
104	RY(2)O2	1232	0.003698191	0.764659615 Hartree
105	RY(3)O2	1233	0.000994879	1.371844129 Hartree
106	RY(4)O2	1234	0.000649908	0.858208373 Hartree
107	RY(5)O2	1235	0.000437421	1.740810664 Hartree
108	RY(6)O2	1236	0.000347332	1.517201030 Hartree
109	RY(7)O2	1237	0.000154904	2.006078084 Hartree
110	RY(8)O2	1238	0.000083809	3.053058520 Hartree
111	RY(9)O2	1239	0.000071996	3.980957268 Hartree
112	RY(10)O2	1240	0.000026590	3.955124660 Hartree
113	RY(11)O2	1241	0.000021667	2.457822308 Hartree
114	RY(12)O2	1242	0.000016767	2.509472719 Hartree
115	RY(13)O2	1243	0.000011250	4.100871946 Hartree
116	RY(14)O2	1244	0.000004462	3.740363965 Hartree
117	RY(15)O2	1245	0.000002778	2.075262279 Hartree
118	RY(16)O2	1246	0.000000279	6.280610815 Hartree
119	RY(17)O2	1247	0.000000419	5.506267160 Hartree
120	RY(18)O2	1248	0.000000080	7.162425519 Hartree
121	RY(19)O2	1249	0.000000915	5.466844966 Hartree
122	RY(20)O2	1250	0.000001881	4.836616413 Hartree
123	RY(21)O2	1251	0.000000588	7.162288232 Hartree
124	RY(22)O2	1252	0.000000015	47.089084599 Hartree
125	RY(1)C3	1253	0.005560270	1.470165444 Hartree
126	RY(2)C3	1254	0.003518176	1.212973231 Hartree
127	RY(3)C3	1255	0.002746792	0.952302435 Hartree
128	RY(4)C3	1256	0.001528932	2.103242122 Hartree
129	RY(5)C3	1257	0.001049065	1.979916604 Hartree
130	RY(6)C3	1258	0.000882358	1.926225899 Hartree
131	RY(7)C3	1259	0.000624962	1.956062306 Hartree
132	RY(8)C3	1260	0.000493786	1.980194594 Hartree
133	RY(9)C3	1261	0.000316095	1.945806014 Hartree
134	RY(10)C3	1262	0.000261013	2.870529153 Hartree
135	RY(11)C3	1263	0.000186597	1.898347467 Hartree
136	RY(12)C3	1264	0.000126622	2.381635882 Hartree
137	RY(13)C3	1265	0.000084930	2.446900587 Hartree
138	RY(14)C3	1266	0.000045708	3.509276945 Hartree
139	RY(15)C3	1267	0.000040062	4.153966457 Hartree
140	RY(16)C3	1268	0.000018464	3.321084365 Hartree
141	RY(17)C3	1269	0.000015268	3.068364953 Hartree
142	RY(18)C3	1270	0.000009853	3.064134722 Hartree
143	RY(19)C3	1271	0.000004337	9.897960911 Hartree
144	RY(20)C3	1272	0.000003010	3.492046389 Hartree
145	RY(21)C3	1273	0.000001339	7.220021099 Hartree
146	RY(1)C4	1274	0.005778900	1.204899825 Hartree
147	RY(2)C4	1275	0.005148895	0.771346011 Hartree
148	RY(3)C4	1276	0.002621592	0.824065275 Hartree
149	RY(4)C4	1277	0.001155633	1.665642221 Hartree
150	RY(5)C4	1278	0.000753893	1.743536363 Hartree
151	RY(6)C4	1279	0.000431578	2.104381321 Hartree
152	RY(7)C4	1280	0.000310695	2.275522550 Hartree
153	RY(8)C4	1281	0.000232337	1.670422360 Hartree
154	RY(9)C4	1282	0.000195006	2.442683290 Hartree
155	RY(10)C4	1283	0.000164704	1.638136395 Hartree
156	RY(11)C4	1284	0.000136193	1.426396066 Hartree
157	RY(12)C4	1285	0.000076743	2.915495830 Hartree
158	RY(13)C4	1286	0.000046834	2.338206593 Hartree
159	RY(14)C4	1287	0.000028646	3.846913404 Hartree
160	RY(15)C4	1288	0.000017586	2.274458872 Hartree
161	RY(16)C4	1289	0.000013210	3.439539763 Hartree
162	RY(17)C4	1290	0.000011069	2.983955822 Hartree
163	RY(18)C4	1291	0.000007359	3.400824056 Hartree
164	RY(19)C4	1292	0.000002798	2.486741939 Hartree
165	RY(20)C4	1293	0.000003221	5.329321697 Hartree
166	RY(21)C4	1294	0.000001384	17.198265630 Hartree
167	RY(22)C4	1295	0.000000568	3.235914975 Hartree
168	RY(1)C5	1296	0.005850381	1.429387404 Hartree
169	RY(2)C5	1297	0.004644810	1.296994774 Hartree
170	RY(3)C5	1298	0.001369758	0.949240776 Hartree
171	RY(4)C5	1299	0.000920538	1.150116675 Hartree
172	RY(5)C5	1300	0.000672586	2.280311164 Hartree
173	RY(6)C5	1301	0.000441956	2.472606383 Hartree
174	RY(7)C5	1302	0.000434235	2.217498687 Hartree
175	RY(8)C5	1303	0.000363103	1.491782503 Hartree
176	RY(9)C5	1304	0.000348077	3.472552217 Hartree
177	RY(10)C5	1305	0.000155004	3.431805548 Hartree
178	RY(11)C5	1306	0.000127027	3.647356995 Hartree
179	RY(12)C5	1307	0.000073138	2.735314495 Hartree
180	RY(13)C5	1308	0.000046219	2.954107344 Hartree
181	RY(14)C5	1309	0.000028339	3.013462468 Hartree
182	RY(15)C5	1310	0.000021050	2.768977873 Hartree
183	RY(16)C5	1311	0.000009030	2.540624255 Hartree
184	RY(17)C5	1312	0.000005524	8.105722168 Hartree
185	RY(18)C5	1313	0.000003528	4.744500359 Hartree
186	RY(19)C5	1314	0.000004017	8.124419918 Hartree
187	RY(20)C5	1315	0.000002439	2.532524916 Hartree
188	RY(21)C5	1316	0.000001185	2.148037311 Hartree
189	RY(22)C5	1317	0.000000071	2.781033732 Hartree
190	RY(1)C6	1318	0.005523100	1.396936778 Hartree
191	RY(2)C6	1319	0.002730569	1.061306150 Hartree
192	RY(3)C6	1320	0.000790032	1.460614129 Hartree
193	RY(4)C6	1321	0.000465297	1.216165494 Hartree
194	RY(5)C6	1322	0.000320623	2.202718764 Hartree
195	RY(6)C6	1323	0.000294226	2.795494275 Hartree
196	RY(7)C6	1324	0.000194602	2.569853007 Hartree
197	RY(8)C6	1325	0.000173705	1.889069898 Hartree
198	RY(9)C6	1326	0.000132764	2.253806512 Hartree
199	RY(10)C6	1327	0.000069305	1.341760681 Hartree
200	RY(11)C6	1328	0.000037455	2.051230607 Hartree
201	RY(12)C6	1329	0.000029801	1.595432316 Hartree
202	RY(13)C6	1330	0.000012455	4.326176284 Hartree
203	RY(14)C6	1331	0.000009868	12.061484649 Hartree
204	RY(15)C6	1332	0.000008246	1.744215522 Hartree
205	RY(16)C6	1333	0.000004194	2.202027518 Hartree
206	RY(17)C6	1334	0.000003068	4.675211735 Hartree
207	RY(18)C6	1335	0.000000021	3.083128555 Hartree
208	RY(19)C6	1336	0.000001021	2.238156672 Hartree
209	RY(20)C6	1337	0.000001846	5.050068799 Hartree
210	RY(21)C6	1338	0.000000157	2.661162189 Hartree
211	RY(22)C6	1339	0.000000518	3.335144685 Hartree
212	RY(1)C7	1340	0.004929025	1.357118762 Hartree
213	RY(2)C7	1341	0.002359480	1.131865899 Hartree
214	RY(3)C7	1342	0.000806411	0.430764403 Hartree
215	RY(4)C7	1343	0.000447481	2.208971861 Hartree
216	RY(5)C7	1344	0.000383017	2.373872537 Hartree
217	RY(6)C7	1345	0.000205918	3.630142406 Hartree
218	RY(7)C7	1346	0.000186463	1.850135518 Hartree
219	RY(8)C7	1347	0.000175489	1.228144184 Hartree
220	RY(9)C7	1348	0.000065434	2.643640846 Hartree
221	RY(10)C7	1349	0.000059535	1.990536196 Hartree
222	RY(11)C7	1350	0.000039420	2.181951633 Hartree
223	RY(12)C7	1351	0.000019036	3.142698917 Hartree
224	RY(13)C7	1352	0.000010517	2.063029445 Hartree
225	RY(14)C7	1353	0.000010006	4.139687072 Hartree
226	RY(15)C7	1354	0.000007661	4.121715385 Hartree
227	RY(16)C7	1355	0.000006192	8.260801419 Hartree
228	RY(17)C7	1356	0.000003362	4.850245940 Hartree
229	RY(18)C7	1357	0.000004107	4.107130835 Hartree
230	RY(19)C7	1358	0.000002312	2.165608190 Hartree
231	RY(20)C7	1359	0.000000094	2.561972656 Hartree
232	RY(21)C7	1360	0.000000024	3.287725543 Hartree
233	RY(22)C7	1361	0.000001016	4.934969485 Hartree
234	RY(1)C8	1362	0.006470651	1.143283089 Hartree
235	RY(2)C8	1363	0.002889160	1.576338292 Hartree
236	RY(3)C8	1364	0.002054885	1.918586571 Hartree
237	RY(4)C8	1365	0.001734550	1.846487629 Hartree
238	RY(5)C8	1366	0.000810412	2.185754994 Hartree
239	RY(6)C8	1367	0.000716558	1.876058925 Hartree
240	RY(7)C8	1368	0.000434409	2.731101279 Hartree
241	RY(8)C8	1369	0.000278577	1.895070314 Hartree
242	RY(9)C8	1370	0.000249552	3.399834678 Hartree
243	RY(10)C8	1371	0.000163493	2.109940543 Hartree
244	RY(11)C8	1372	0.000106696	3.451632942 Hartree
245	RY(12)C8	1373	0.000055091	3.459933733 Hartree
246	RY(13)C8	1374	0.000051010	2.601275262 Hartree
247	RY(14)C8	1375	0.000028034	2.718721015 Hartree
248	RY(15)C8	1376	0.000019365	3.391669225 Hartree
249	RY(16)C8	1377	0.000014766	3.338587365 Hartree
250	RY(17)C8	1378	0.000011009	7.084514508 Hartree
251	RY(18)C8	1379	0.000005874	1.887739396 Hartree
252	RY(19)C8	1380	0.000003424	2.375759458 Hartree
253	RY(20)C8	1381	0.000002090	2.654644156 Hartree
254	RY(21)C8	1382	0.000001615	4.556087501 Hartree
255	RY(22)C8	1383	0.000000760	2.629611648 Hartree
256	RY(1)O9	1384	0.002410833	0.620044406 Hartree
257	RY(2)O9	1385	0.002083794	0.786983898 Hartree
258	RY(3)O9	1386	0.000461590	0.624778698 Hartree
259	RY(4)O9	1387	0.000173492	1.624949173 Hartree
260	RY(5)O9	1388	0.000152265	2.196953517 Hartree
261	RY(6)O9	1389	0.000072585	2.095824257 Hartree
262	RY(7)O9	1390	0.000061733	2.055390831 Hartree
263	RY(8)O9	1391	0.000034102	1.077773857 Hartree
264	RY(9)O9	1392	0.000019785	1.942819208 Hartree
265	RY(10)O9	1393	0.000013946	1.203683078 Hartree
266	RY(11)O9	1394	0.000005975	2.493744012 Hartree
267	RY(12)O9	1395	0.000004256	2.107711151 Hartree
268	RY(13)O9	1396	0.000002211	2.543536698 Hartree
269	RY(14)O9	1397	0.000000549	5.727210322 Hartree
270	RY(15)O9	1398	0.000000012	6.637256164 Hartree
271	RY(16)O9	1399	0.000000168	30.145519932 Hartree
272	RY(17)O9	1400	0.000000589	5.247334223 Hartree
273	RY(18)O9	1401	0.000000062	23.590924818 Hartree
274	RY(19)O9	1402	0.000000002	6.721329257 Hartree
275	RY(20)O9	1403	0.000000700	5.266464891 Hartree
276	RY(21)O9	1404	0.000000290	6.270673422 Hartree
277	RY(22)O9	1405	0.000000018	6.401147429 Hartree
278	RY(1)H10	1406	0.001709269	1.458099793 Hartree
279	RY(2)H10	1407	0.000900650	1.779288856 Hartree
280	RY(3)H10	1408	0.000439226	2.018085972 Hartree
281	RY(4)H10	1409	0.000166060	1.969227531 Hartree
282	RY(5)H10	1410	0.000009199	2.499219137 Hartree
283	RY(1)H11	1411	0.001368023	0.641376240 Hartree
284	RY(2)H11	1412	0.000262824	2.613515834 Hartree
285	RY(3)H11	1413	0.000130408	1.809050434 Hartree
286	RY(4)H11	1414	0.000049626	2.219135513 Hartree
287	RY(5)H11	1415	0.000032726	2.275013366 Hartree
288	RY(1)H12	1416	0.001721560	0.748226788 Hartree
289	RY(2)H12	1417	0.000349109	2.610105078 Hartree
290	RY(3)H12	1418	0.000105436	1.803708669 Hartree
291	RY(4)H12	1419	0.000060417	2.225032047 Hartree
292	RY(5)H12	1420	0.000029058	2.258413776 Hartree
293	RY(1)C13	1421	0.011675146	1.103392295 Hartree
294	RY(2)C13	1422	0.004041010	1.882576626 Hartree
295	RY(3)C13	1423	0.001757895	1.250082297 Hartree
296	RY(4)C13	1424	0.001315861	1.732697333 Hartree
297	RY(5)C13	1425	0.000402109	2.367748639 Hartree
298	RY(6)C13	1426	0.000291410	0.575684644 Hartree
299	RY(7)C13	1427	0.000221954	1.882774442 Hartree
300	RY(8)C13	1428	0.000168459	2.996629843 Hartree
301	RY(9)C13	1429	0.000052678	2.183634975 Hartree
302	RY(10)C13	1430	0.000023838	2.504239940 Hartree
303	RY(11)C13	1431	0.000019139	1.515642611 Hartree
304	RY(12)C13	1432	0.000012902	2.556291084 Hartree
305	RY(13)C13	1433	0.000008450	0.878408528 Hartree
306	RY(14)C13	1434	0.000007194	7.680077209 Hartree
307	RY(15)C13	1435	0.000004769	2.028094053 Hartree
308	RY(16)C13	1436	0.000002753	2.536037956 Hartree
309	RY(17)C13	1437	0.000001601	3.688812193 Hartree
310	RY(18)C13	1438	0.000002239	6.545079807 Hartree
311	RY(19)C13	1439	0.000000343	4.698670859 Hartree
312	RY(20)C13	1440	0.000000590	2.717501174 Hartree
313	RY(21)C13	1441	0.000000032	3.138139591 Hartree
314	RY(22)C13	1442	0.000000513	2.878445795 Hartree
315	RY(1)O14	1443	0.003900201	0.861686359 Hartree
316	RY(2)O14	1444	0.000648732	0.670101091 Hartree
317	RY(3)O14	1445	0.000481716	1.328896832 Hartree
318	RY(4)O14	1446	0.000109746	2.590861480 Hartree
319	RY(5)O14	1447	0.000026669	1.605358964 Hartree
320	RY(6)O14	1448	0.000017412	1.697074296 Hartree
321	RY(7)O14	1449	0.000006543	1.271434710 Hartree
322	RY(8)O14	1450	0.000006085	2.618463013 Hartree
323	RY(9)O14	1451	0.000004173	1.386619143 Hartree
324	RY(10)O14	1452	0.000002868	3.794299090 Hartree
325	RY(11)O14	1453	0.000001258	2.770039380 Hartree
326	RY(12)O14	1454	0.000001575	3.434392332 Hartree
327	RY(13)O14	1455	0.000001927	2.731097412 Hartree
328	RY(14)O14	1456	0.000000133	36.574360384 Hartree
329	RY(15)O14	1457	0.000000011	5.021487285 Hartree
330	RY(16)O14	1458	0.000000084	10.232690245 Hartree
331	RY(17)O14	1459	0.000000000	6.755574219 Hartree
332	RY(18)O14	1460	0.000000000	6.751614023 Hartree
333	RY(19)O14	1461	0.000000252	5.477483068 Hartree
334	RY(20)O14	1462	0.000000066	6.966117083 Hartree
335	RY(21)O14	1463	0.000000591	5.567618421 Hartree
336	RY(22)O14	1464	0.000000006	6.725012053 Hartree
337	RY(1)H15	1465	0.002025371	0.656981529 Hartree
338	RY(2)H15	1466	0.000191027	2.240630209 Hartree
339	RY(3)H15	1467	0.000099489	2.594365017 Hartree
340	RY(4)H15	1468	0.000067962	1.746936426 Hartree
341	RY(5)H15	1469	0.000052854	2.155853403 Hartree
342	RY(1)Br16	1470	0.003082804	0.508239361 Hartree
343	RY(2)Br16	1471	0.001548677	0.713744746 Hartree
344	RY(3)Br16	1472	0.000991696	0.790247525 Hartree
345	RY(4)Br16	1473	0.000475652	0.481146328 Hartree
346	RY(5)Br16	1474	0.000327613	0.545836796 Hartree
347	RY(6)Br16	1475	0.000145813	0.886154150 Hartree
348	RY(7)Br16	1476	0.000094969	1.035104129 Hartree
349	RY(8)Br16	1477	0.000055728	1.222277456 Hartree
350	RY(9)Br16	1478	0.000041958	1.433658252 Hartree
351	RY(10)Br16	1479	0.000038451	2.741485555 Hartree
352	RY(11)Br16	1480	0.000022248	1.188790255 Hartree
353	RY(12)Br16	1481	0.000015882	2.537146330 Hartree
354	RY(13)Br16	1482	0.000012623	2.297940844 Hartree
355	RY(14)Br16	1483	0.000010801	2.534124674 Hartree
356	RY(15)Br16	1484	0.000008933	1.172036716 Hartree
357	RY(16)Br16	1485	0.000005988	4.007874782 Hartree
358	RY(17)Br16	1486	0.000002626	2.176571070 Hartree
359	RY(18)Br16	1487	0.000002898	3.144470335 Hartree
360	RY(19)Br16	1488	0.000003370	4.321467505 Hartree
361	RY(20)Br16	1489	0.000001728	2.689676602 Hartree
362	RY(21)Br16	1490	0.000000275	8.040623829 Hartree
363	RY(22)Br16	1491	0.000000000	926.339732923 Hartree
364	RY(23)Br16	1492	0.000000373	3.582772890 Hartree
365	RY(24)Br16	1493	0.000000024	15.553419589 Hartree
366	RY(25)Br16	1494	0.000000000	304.695147677 Hartree
367	RY(26)Br16	1495	0.000000159	9.361011070 Hartree
368	RY(27)Br16	1496	0.000000219	7.086969460 Hartree
369	RY(28)Br16	1497	0.000000000	287.450344767 Hartree
370	RY(29)Br16	1498	0.000000002	36.755330136 Hartree
371	RY(30)Br16	1499	0.000000007	94.629899017 Hartree
372	RY(31)Br16	1500	0.000000173	5.418387617 Hartree
373	RY(32)Br16	1501	0.000000001	252.876482862 Hartree
374	RY(33)Br16	1502	0.000000065	12.398000654 Hartree
375	RY(34)Br16	1503	0.000000937	3.939867785 Hartree
376	RY(35)Br16	1504	0.000000015	18.195774734 Hartree
377	RY(1)H17	1505	0.000449975	0.446425816 Hartree
378	RY(2)H17	1506	0.000057283	1.895964338 Hartree
379	RY(3)H17	1507	0.000058138	2.310915566 Hartree
380	RY(4)H17	1508	0.000034630	2.302655873 Hartree
381	RY(5)H17	1509	0.000008770	2.115539256 Hartree
382	RY(1)H18	1510	0.001166850	0.494899581 Hartree
383	RY(2)H18	1511	0.000097964	2.103724773 Hartree
384	RY(3)H18	1512	0.000057666	2.043053208 Hartree
385	RY(4)H18	1513	0.000048091	2.124671689 Hartree
386	RY(5)H18	1514	0.000025815	2.381650941 Hartree
387	RY(1)H19	1515	0.001119614	0.507497786 Hartree
388	RY(2)H19	1516	0.000147329	2.086286802 Hartree
389	RY(3)H19	1517	0.000065021	2.475139514 Hartree
390	RY(4)H19	1518	0.000059052	1.911356985 Hartree
391	RY(5)H19	1519	0.000030526	2.154173491 Hartree
392		1519		********** Hartree

Quote

ASKING FOR EFFICIENCY AND ADAPTABILITY IN THE SAME PROGRAM IS LIKE ASKING FOR A BEAUTIFUL AND MODEST WIFE ... WE'LL PROBABLY HAVE TO SETTLE FOR ONE OR THE OTHER. -- THE PSYCHOLOGY OF COMPUTER PROGRAMMING GERALD M. WEINBERG