WebMO Job Summary

473918: C19H15(+1) perpendicular trityl D3h, Natural Bond Orbitals 6.0/NRT - Gaussian

Raw Output

Save Notes

Calculated Quantities

Expand all

Overview

Quantity	Value
Route	#N B3LYP/6-31G(d) SP GFINPUT POP=(FULL,NBO6Read) Geom=Connectivity
Stoichiometry	C19H15(1+)
Symmetry	C3V
Basis	6-31G(d)
RB3LYP Energy	-732.73972001 Hartree
Dipole Moment	0.0000 Debye
Server	batch (485341)
CPU time	4544.9 sec

Rotational Constants

Constant	Frequency (GHz)	Frequency (cm-1)
a	0.3723700	0.01242092621
b	0.3723700	0.01242092621
c	0.2321979	0.00774528824

Molecular Orbitals

Display Range		- / 315
Orbital	Symmetry	Occupancy	Energy	Actions
1	A1	2	-10.48639 Hartree
2	E	2	-10.36600 Hartree
3	E	2	-10.36600 Hartree
4	A1	2	-10.36598 Hartree
5	E	2	-10.34619 Hartree
6	E	2	-10.34619 Hartree
7	A1	2	-10.34619 Hartree
8	E	2	-10.34618 Hartree
9	E	2	-10.34618 Hartree
10	A1	2	-10.34618 Hartree
11	E	2	-10.32843 Hartree
12	E	2	-10.32843 Hartree
13	A1	2	-10.32843 Hartree
14	A1	2	-10.32840 Hartree
15	E	2	-10.32840 Hartree
16	E	2	-10.32840 Hartree
17	E	2	-10.32317 Hartree
18	E	2	-10.32317 Hartree
19	A1	2	-10.32317 Hartree
20	A1	2	-1.04978 Hartree
21	E	2	-0.99887 Hartree
22	E	2	-0.99887 Hartree
23	A1	2	-0.95680 Hartree
24	E	2	-0.89437 Hartree
25	E	2	-0.89437 Hartree
26	A1	2	-0.89289 Hartree
27	E	2	-0.88821 Hartree
28	E	2	-0.88821 Hartree
29	A1	2	-0.82547 Hartree
30	A1	2	-0.76192 Hartree
31	E	2	-0.75489 Hartree
32	E	2	-0.75489 Hartree
33	E	2	-0.74445 Hartree
34	E	2	-0.74445 Hartree
35	A1	2	-0.70482 Hartree
36	E	2	-0.67141 Hartree
37	E	2	-0.67141 Hartree
38	A1	2	-0.63885 Hartree
39	E	2	-0.61440 Hartree
40	E	2	-0.61440 Hartree
41	A1	2	-0.61221 Hartree
42	E	2	-0.58942 Hartree
43	E	2	-0.58942 Hartree
44	A1	2	-0.57974 Hartree
45	E	2	-0.56986 Hartree
46	E	2	-0.56986 Hartree
47	A1	2	-0.56905 Hartree
48	E	2	-0.56184 Hartree
49	E	2	-0.56184 Hartree
50	E	2	-0.51064 Hartree
51	E	2	-0.51064 Hartree
52	A1	2	-0.49999 Hartree
53	A2	2	-0.49812 Hartree
54	A1	2	-0.49593 Hartree
55	E	2	-0.48485 Hartree
56	E	2	-0.48485 Hartree
57	E	2	-0.48483 Hartree
58	E	2	-0.48483 Hartree
59	E	2	-0.39671 Hartree
60	E	2	-0.39671 Hartree
61	E	2	-0.39349 Hartree
62	E	2	-0.39349 Hartree
63	A2	2	-0.38839 Hartree
64	A2	2	-0.37674 Hartree
65	A1	0	-0.31048 Hartree
66	E	0	-0.15767 Hartree
67	E	0	-0.15767 Hartree
68	E	0	-0.14622 Hartree
69	E	0	-0.14622 Hartree
70	A2	0	-0.13116 Hartree
71	A2	0	-0.12386 Hartree
72	A1	0	-0.07746 Hartree
73	A1	0	-0.04329 Hartree
74	E	0	-0.01741 Hartree
75	E	0	-0.01741 Hartree
76	E	0	0.00840 Hartree
77	E	0	0.00840 Hartree
78	A1	0	0.01221 Hartree
79	E	0	0.03214 Hartree
80	E	0	0.03214 Hartree
81	A2	0	0.03370 Hartree
82	E	0	0.04616 Hartree
83	E	0	0.04616 Hartree
84	A1	0	0.04629 Hartree
85	A1	0	0.05513 Hartree
86	A1	0	0.07136 Hartree
87	E	0	0.08152 Hartree
88	E	0	0.08152 Hartree
89	E	0	0.09019 Hartree
90	E	0	0.09019 Hartree
91	A1	0	0.10869 Hartree
92	E	0	0.14386 Hartree
93	E	0	0.14386 Hartree
94	A1	0	0.15216 Hartree
95	E	0	0.17530 Hartree
96	E	0	0.17530 Hartree
97	E	0	0.18243 Hartree
98	E	0	0.18243 Hartree
99	A1	0	0.19056 Hartree
100	E	0	0.19300 Hartree
101	E	0	0.19300 Hartree
102	A1	0	0.22115 Hartree
103	E	0	0.23658 Hartree
104	E	0	0.23658 Hartree
105	A1	0	0.27834 Hartree
106	A1	0	0.34086 Hartree
107	E	0	0.34838 Hartree
108	E	0	0.34838 Hartree
109	E	0	0.35355 Hartree
110	E	0	0.35355 Hartree
111	A1	0	0.38267 Hartree
112	E	0	0.39760 Hartree
113	E	0	0.39760 Hartree
114	A2	0	0.40795 Hartree
115	A1	0	0.41153 Hartree
116	E	0	0.41462 Hartree
117	E	0	0.41462 Hartree
118	E	0	0.41802 Hartree
119	E	0	0.41802 Hartree
120	A1	0	0.42468 Hartree
121	E	0	0.43457 Hartree
122	E	0	0.43457 Hartree
123	E	0	0.43478 Hartree
124	E	0	0.43478 Hartree
125	A1	0	0.46044 Hartree
126	E	0	0.46341 Hartree
127	E	0	0.46341 Hartree
128	A1	0	0.48005 Hartree
129	A2	0	0.48183 Hartree
130	A1	0	0.48417 Hartree
131	E	0	0.48435 Hartree
132	E	0	0.48435 Hartree
133	E	0	0.48623 Hartree
134	E	0	0.48623 Hartree
135	E	0	0.49636 Hartree
136	E	0	0.49636 Hartree
137	A1	0	0.50967 Hartree
138	A2	0	0.51742 Hartree
139	E	0	0.53100 Hartree
140	E	0	0.53100 Hartree
141	E	0	0.55567 Hartree
142	E	0	0.55567 Hartree
143	A2	0	0.61065 Hartree
144	A1	0	0.61547 Hartree
145	E	0	0.61729 Hartree
146	E	0	0.61729 Hartree
147	E	0	0.62034 Hartree
148	E	0	0.62034 Hartree
149	A2	0	0.62126 Hartree
150	A1	0	0.65341 Hartree
151	A1	0	0.68136 Hartree
152	E	0	0.71421 Hartree
153	E	0	0.71421 Hartree
154	A1	0	0.71876 Hartree
155	E	0	0.72266 Hartree
156	E	0	0.72266 Hartree
157	A2	0	0.72547 Hartree
158	A1	0	0.72628 Hartree
159	E	0	0.72891 Hartree
160	E	0	0.72891 Hartree
161	A1	0	0.73416 Hartree
162	E	0	0.76774 Hartree
163	E	0	0.76774 Hartree
164	E	0	0.77804 Hartree
165	E	0	0.77804 Hartree
166	A1	0	0.78965 Hartree
167	E	0	0.81960 Hartree
168	E	0	0.81960 Hartree
169	E	0	0.81975 Hartree
170	E	0	0.81975 Hartree
171	A1	0	0.82950 Hartree
172	E	0	0.85579 Hartree
173	E	0	0.85579 Hartree
174	E	0	0.86400 Hartree
175	E	0	0.86400 Hartree
176	A1	0	0.88409 Hartree
177	A1	0	0.90824 Hartree
178	E	0	0.97521 Hartree
179	E	0	0.97521 Hartree
180	E	0	0.99057 Hartree
181	E	0	0.99057 Hartree
182	A1	0	1.00703 Hartree
183	E	0	1.01082 Hartree
184	E	0	1.01082 Hartree
185	A1	0	1.03396 Hartree
186	A1	0	1.04204 Hartree
187	E	0	1.04843 Hartree
188	E	0	1.04843 Hartree
189	A1	0	1.06597 Hartree
190	A1	0	1.10230 Hartree
191	A2	0	1.10951 Hartree
192	E	0	1.14141 Hartree
193	E	0	1.14141 Hartree
194	E	0	1.21413 Hartree
195	E	0	1.21413 Hartree
196	A2	0	1.28560 Hartree
197	E	0	1.29421 Hartree
198	E	0	1.29421 Hartree
199	A1	0	1.30940 Hartree
200	E	0	1.31877 Hartree
201	E	0	1.31877 Hartree
202	A2	0	1.32957 Hartree
203	A1	0	1.33057 Hartree
204	E	0	1.33488 Hartree
205	E	0	1.33488 Hartree
206	E	0	1.34223 Hartree
207	E	0	1.34223 Hartree
208	A2	0	1.35377 Hartree
209	A2	0	1.36963 Hartree
210	E	0	1.37143 Hartree
211	E	0	1.37143 Hartree
212	E	0	1.41175 Hartree
213	E	0	1.41175 Hartree
214	A2	0	1.46169 Hartree
215	A1	0	1.59064 Hartree
216	E	0	1.60422 Hartree
217	E	0	1.60422 Hartree
218	A1	0	1.63445 Hartree
219	E	0	1.66603 Hartree
220	E	0	1.66603 Hartree
221	E	0	1.66695 Hartree
222	E	0	1.66695 Hartree
223	A1	0	1.68768 Hartree
224	A1	0	1.75162 Hartree
225	E	0	1.76153 Hartree
226	E	0	1.76153 Hartree
227	E	0	1.76390 Hartree
228	E	0	1.76390 Hartree
229	E	0	1.77970 Hartree
230	E	0	1.77970 Hartree
231	E	0	1.80077 Hartree
232	E	0	1.80077 Hartree
233	A1	0	1.81002 Hartree
234	A1	0	1.81643 Hartree
235	E	0	1.83623 Hartree
236	E	0	1.83623 Hartree
237	E	0	1.90020 Hartree
238	E	0	1.90020 Hartree
239	A1	0	1.90786 Hartree
240	A1	0	1.91111 Hartree
241	E	0	1.97583 Hartree
242	E	0	1.97583 Hartree
243	A1	0	1.97778 Hartree
244	A2	0	1.98726 Hartree
245	E	0	2.00596 Hartree
246	E	0	2.00596 Hartree
247	E	0	2.00671 Hartree
248	E	0	2.00671 Hartree
249	A2	0	2.01268 Hartree
250	A1	0	2.01563 Hartree
251	E	0	2.09386 Hartree
252	E	0	2.09386 Hartree
253	E	0	2.10276 Hartree
254	E	0	2.10276 Hartree
255	E	0	2.13758 Hartree
256	E	0	2.13758 Hartree
257	A2	0	2.15015 Hartree
258	E	0	2.16105 Hartree
259	E	0	2.16105 Hartree
260	A2	0	2.16376 Hartree
261	A2	0	2.17323 Hartree
262	A1	0	2.20351 Hartree
263	E	0	2.26238 Hartree
264	E	0	2.26238 Hartree
265	E	0	2.37309 Hartree
266	E	0	2.37309 Hartree
267	A1	0	2.38345 Hartree
268	A1	0	2.43399 Hartree
269	E	0	2.43550 Hartree
270	E	0	2.43550 Hartree
271	E	0	2.48382 Hartree
272	E	0	2.48382 Hartree
273	E	0	2.50101 Hartree
274	E	0	2.50101 Hartree
275	A2	0	2.50371 Hartree
276	A1	0	2.55025 Hartree
277	A1	0	2.56744 Hartree
278	E	0	2.57359 Hartree
279	E	0	2.57359 Hartree
280	E	0	2.57978 Hartree
281	E	0	2.57978 Hartree
282	A1	0	2.59196 Hartree
283	A1	0	2.59341 Hartree
284	E	0	2.63114 Hartree
285	E	0	2.63114 Hartree
286	E	0	2.67935 Hartree
287	E	0	2.67935 Hartree
288	A1	0	2.68122 Hartree
289	E	0	2.81331 Hartree
290	E	0	2.81331 Hartree
291	A1	0	2.87475 Hartree
292	E	0	2.93435 Hartree
293	E	0	2.93435 Hartree
294	E	0	3.25946 Hartree
295	E	0	3.25946 Hartree
296	A1	0	3.27030 Hartree
297	A1	0	3.93188 Hartree
298	E	0	3.95790 Hartree
299	E	0	3.95790 Hartree
300	A1	0	3.96352 Hartree
301	E	0	3.98037 Hartree
302	E	0	3.98037 Hartree
303	A1	0	3.98552 Hartree
304	E	0	4.02842 Hartree
305	E	0	4.02842 Hartree
306	A1	0	4.13454 Hartree
307	A1	0	4.18070 Hartree
308	E	0	4.19332 Hartree
309	E	0	4.19332 Hartree
310	E	0	4.27856 Hartree
311	E	0	4.27856 Hartree
312	A1	0	4.31711 Hartree
313	A1	0	4.57972 Hartree
314	E	0	4.58398 Hartree
315	E	0	4.58398 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom	Symbol	Charge
1	C	0.65345
2	C	-0.16008
3	C	-0.21257
4	C	-0.20104
5	C	-0.20603
6	C	-0.20104
7	C	-0.21257
8	H	0.25337
9	H	0.26808
10	H	0.26595
11	H	0.26808
12	H	0.25337
13	C	-0.16008
14	C	-0.21257
15	C	-0.20104
16	C	-0.20603
17	C	-0.20104
18	C	-0.21257
19	H	0.25337
20	H	0.26808
21	H	0.26595
22	H	0.26808
23	H	0.25337
24	C	-0.16008
25	C	-0.21257
26	C	-0.20104
27	C	-0.20603
28	C	-0.20104
29	C	-0.21257
30	H	0.25337
31	H	0.26808
32	H	0.26595
33	H	0.26808
34	H	0.25337

Natural Atomic Orbitals

Display Range		- / 315
Orbital	Description	Occupancy	Energy	Actions
1	C1 Cor(1s)	1.999994680	-10.486343563 Hartree
2	C1 Val(2s)	0.951124156	-0.325236376 Hartree
3	C1 Ryd(3s)	0.000441953	1.206309358 Hartree
4	C1 Ryd(4s)	0.000027821	3.962301392 Hartree
5	C1 Val(2p)	1.055605928	-0.211396363 Hartree
6	C1 Ryd(3p)	0.001359482	0.636541576 Hartree
7	C1 Val(2p)	1.055605928	-0.211396363 Hartree
8	C1 Ryd(3p)	0.001359482	0.636541576 Hartree
9	C1 Val(2p)	0.271377988	-0.296868022 Hartree
10	C1 Ryd(3p)	0.005205344	0.645439475 Hartree
11	C1 Ryd(3d)	0.001563833	2.164849451 Hartree
12	C1 Ryd(3d)	0.000399468	1.903613675 Hartree
13	C1 Ryd(3d)	0.000399468	1.903613675 Hartree
14	C1 Ryd(3d)	0.001563833	2.164849451 Hartree
15	C1 Ryd(3d)	0.000523611	2.024393976 Hartree
16	C2 Cor(1s)	1.999995478	-10.365946966 Hartree
17	C2 Val(2s)	0.887764817	-0.228499536 Hartree
18	C2 Ryd(3s)	0.000627902	1.039731562 Hartree
19	C2 Ryd(4s)	0.000078430	4.173205425 Hartree
20	C2 Val(2p)	1.087947852	-0.265506016 Hartree
21	C2 Ryd(3p)	0.004125528	0.580423661 Hartree
22	C2 Val(2p)	1.047496993	-0.189200009 Hartree
23	C2 Ryd(3p)	0.004402432	1.074035542 Hartree
24	C2 Val(2p)	1.122563228	-0.187649974 Hartree
25	C2 Ryd(3p)	0.001818881	0.774544565 Hartree
26	C2 Ryd(3d)	0.000287113	1.894150425 Hartree
27	C2 Ryd(3d)	0.000789294	1.771595884 Hartree
28	C2 Ryd(3d)	0.000416630	2.274703351 Hartree
29	C2 Ryd(3d)	0.000859445	2.138557089 Hartree
30	C2 Ryd(3d)	0.000904110	2.262698591 Hartree
31	C3 Cor(1s)	1.999996207	-10.346153974 Hartree
32	C3 Val(2s)	0.957913594	-0.234700614 Hartree
33	C3 Ryd(3s)	0.000599706	1.088339905 Hartree
34	C3 Ryd(4s)	0.000049609	3.928524460 Hartree
35	C3 Val(2p)	1.013216973	-0.250106011 Hartree
36	C3 Ryd(3p)	0.000670389	0.498258438 Hartree
37	C3 Val(2p)	1.095410583	-0.162256879 Hartree
38	C3 Ryd(3p)	0.003768865	0.722145926 Hartree
39	C3 Val(2p)	1.133071517	-0.175419069 Hartree
40	C3 Ryd(3p)	0.004418523	0.889057834 Hartree
41	C3 Ryd(3d)	0.000510396	1.765507367 Hartree
42	C3 Ryd(3d)	0.000423628	1.720318408 Hartree
43	C3 Ryd(3d)	0.001046958	2.212869728 Hartree
44	C3 Ryd(3d)	0.000676918	2.194747283 Hartree
45	C3 Ryd(3d)	0.000798170	2.202615948 Hartree
46	C4 Cor(1s)	1.999996254	-10.328381051 Hartree
47	C4 Val(2s)	0.972410559	-0.227785455 Hartree
48	C4 Ryd(3s)	0.000575116	1.133937444 Hartree
49	C4 Ryd(4s)	0.000044960	3.877864230 Hartree
50	C4 Val(2p)	0.959226997	-0.231116966 Hartree
51	C4 Ryd(3p)	0.000487615	0.499133705 Hartree
52	C4 Val(2p)	1.077206317	-0.135752453 Hartree
53	C4 Ryd(3p)	0.004390000	0.676862302 Hartree
54	C4 Val(2p)	1.177913349	-0.163780102 Hartree
55	C4 Ryd(3p)	0.005283273	0.906379748 Hartree
56	C4 Ryd(3d)	0.000488560	1.776735352 Hartree
57	C4 Ryd(3d)	0.000426743	1.701253474 Hartree
58	C4 Ryd(3d)	0.000921629	2.229368435 Hartree
59	C4 Ryd(3d)	0.000699870	2.191915930 Hartree
60	C4 Ryd(3d)	0.000967277	2.168014198 Hartree
61	C5 Cor(1s)	1.999996266	-10.323172243 Hartree
62	C5 Val(2s)	0.976738912	-0.224528316 Hartree
63	C5 Ryd(3s)	0.000478644	1.163648518 Hartree
64	C5 Ryd(4s)	0.000043395	3.854597701 Hartree
65	C5 Val(2p)	0.953306671	-0.226812803 Hartree
66	C5 Ryd(3p)	0.000450332	0.503689086 Hartree
67	C5 Val(2p)	1.213294543	-0.170379771 Hartree
68	C5 Ryd(3p)	0.005333971	1.005805598 Hartree
69	C5 Val(2p)	1.048949227	-0.119963507 Hartree
70	C5 Ryd(3p)	0.003921417	0.578185949 Hartree
71	C5 Ryd(3d)	0.000427107	1.668454764 Hartree
72	C5 Ryd(3d)	0.000475336	1.816857464 Hartree
73	C5 Ryd(3d)	0.000844767	2.257176827 Hartree
74	C5 Ryd(3d)	0.000985694	2.053195169 Hartree
75	C5 Ryd(3d)	0.000780641	2.289841479 Hartree
76	C6 Cor(1s)	1.999996254	-10.328381051 Hartree
77	C6 Val(2s)	0.972410558	-0.227785455 Hartree
78	C6 Ryd(3s)	0.000575116	1.133937442 Hartree
79	C6 Ryd(4s)	0.000044960	3.877864230 Hartree
80	C6 Val(2p)	0.959226998	-0.231116967 Hartree
81	C6 Ryd(3p)	0.000487615	0.499133704 Hartree
82	C6 Val(2p)	1.077206318	-0.135752453 Hartree
83	C6 Ryd(3p)	0.004390000	0.676862303 Hartree
84	C6 Val(2p)	1.177913349	-0.163780102 Hartree
85	C6 Ryd(3p)	0.005283273	0.906379746 Hartree
86	C6 Ryd(3d)	0.000488560	1.776735352 Hartree
87	C6 Ryd(3d)	0.000426743	1.701253474 Hartree
88	C6 Ryd(3d)	0.000921629	2.229368435 Hartree
89	C6 Ryd(3d)	0.000699870	2.191915930 Hartree
90	C6 Ryd(3d)	0.000967277	2.168014198 Hartree
91	C7 Cor(1s)	1.999996207	-10.346153975 Hartree
92	C7 Val(2s)	0.957913594	-0.234700614 Hartree
93	C7 Ryd(3s)	0.000599706	1.088339905 Hartree
94	C7 Ryd(4s)	0.000049609	3.928524459 Hartree
95	C7 Val(2p)	1.013216975	-0.250106012 Hartree
96	C7 Ryd(3p)	0.000670389	0.498258438 Hartree
97	C7 Val(2p)	1.095410583	-0.162256880 Hartree
98	C7 Ryd(3p)	0.003768865	0.722145925 Hartree
99	C7 Val(2p)	1.133071517	-0.175419069 Hartree
100	C7 Ryd(3p)	0.004418523	0.889057834 Hartree
101	C7 Ryd(3d)	0.000510396	1.765507367 Hartree
102	C7 Ryd(3d)	0.000423628	1.720318408 Hartree
103	C7 Ryd(3d)	0.001046958	2.212869727 Hartree
104	C7 Ryd(3d)	0.000676918	2.194747283 Hartree
105	C7 Ryd(3d)	0.000798170	2.202615947 Hartree
106	H8 Val(1s)	0.745799822	-0.030172307 Hartree
107	H8 Ryd(2s)	0.000831462	0.477094229 Hartree
108	H9 Val(1s)	0.731264825	0.000989946 Hartree
109	H9 Ryd(2s)	0.000657669	0.460775872 Hartree
110	H10 Val(1s)	0.733416417	0.007321418 Hartree
111	H10 Ryd(2s)	0.000632189	0.464570019 Hartree
112	H11 Val(1s)	0.731264825	0.000989947 Hartree
113	H11 Ryd(2s)	0.000657669	0.460775872 Hartree
114	H12 Val(1s)	0.745799823	-0.030172307 Hartree
115	H12 Ryd(2s)	0.000831462	0.477094230 Hartree
116	C13 Cor(1s)	1.999995478	-10.365946966 Hartree
117	C13 Val(2s)	0.887764817	-0.228499536 Hartree
118	C13 Ryd(3s)	0.000627902	1.039731562 Hartree
119	C13 Ryd(4s)	0.000078430	4.173205425 Hartree
120	C13 Val(2p)	1.057609708	-0.208276511 Hartree
121	C13 Ryd(3p)	0.004333206	0.950632572 Hartree
122	C13 Val(2p)	1.077835137	-0.246429514 Hartree
123	C13 Ryd(3p)	0.004194754	0.703826631 Hartree
124	C13 Val(2p)	1.122563228	-0.187649974 Hartree
125	C13 Ryd(3p)	0.001818881	0.774544565 Hartree
126	C13 Ryd(3d)	0.000716362	2.077455423 Hartree
127	C13 Ryd(3d)	0.000509796	2.148926484 Hartree
128	C13 Ryd(3d)	0.000696128	1.897372750 Hartree
129	C13 Ryd(3d)	0.000430196	1.955252091 Hartree
130	C13 Ryd(3d)	0.000904110	2.262698591 Hartree
131	C14 Cor(1s)	1.999996207	-10.346153974 Hartree
132	C14 Val(2s)	0.957913594	-0.234700614 Hartree
133	C14 Ryd(3s)	0.000599706	1.088339905 Hartree
134	C14 Ryd(4s)	0.000049609	3.928524460 Hartree
135	C14 Val(2p)	1.074862181	-0.184219162 Hartree
136	C14 Ryd(3p)	0.002994246	0.666174054 Hartree
137	C14 Val(2p)	1.033765376	-0.228143728 Hartree
138	C14 Ryd(3p)	0.001445008	0.554230310 Hartree
139	C14 Val(2p)	1.133071517	-0.175419069 Hartree
140	C14 Ryd(3p)	0.004418523	0.889057834 Hartree
141	C14 Ryd(3d)	0.000635288	2.087437304 Hartree
142	C14 Ryd(3d)	0.000891125	2.089731898 Hartree
143	C14 Ryd(3d)	0.000579460	1.843456238 Hartree
144	C14 Ryd(3d)	0.000552027	1.872817346 Hartree
145	C14 Ryd(3d)	0.000798170	2.202615948 Hartree
146	C15 Cor(1s)	1.999996254	-10.328381051 Hartree
147	C15 Val(2s)	0.972410559	-0.227785455 Hartree
148	C15 Ryd(3s)	0.000575116	1.133937443 Hartree
149	C15 Ryd(4s)	0.000044960	3.877864230 Hartree
150	C15 Val(2p)	1.047711487	-0.159593581 Hartree
151	C15 Ryd(3p)	0.003414404	0.632430153 Hartree
152	C15 Val(2p)	0.988721827	-0.207275838 Hartree
153	C15 Ryd(3p)	0.001463212	0.543565854 Hartree
154	C15 Val(2p)	1.177913349	-0.163780102 Hartree
155	C15 Ryd(3p)	0.005283273	0.906379748 Hartree
156	C15 Ryd(3d)	0.000647043	2.088120786 Hartree
157	C15 Ryd(3d)	0.000797908	2.097339695 Hartree
158	C15 Ryd(3d)	0.000550464	1.833282214 Hartree
159	C15 Ryd(3d)	0.000541387	1.880530497 Hartree
160	C15 Ryd(3d)	0.000967277	2.168014198 Hartree
161	C16 Cor(1s)	1.999996266	-10.323172243 Hartree
162	C16 Val(2s)	0.976738912	-0.224528316 Hartree
163	C16 Ryd(3s)	0.000478644	1.163648519 Hartree
164	C16 Ryd(4s)	0.000043395	3.854597700 Hartree
165	C16 Val(2p)	1.148297575	-0.184488029 Hartree
166	C16 Ryd(3p)	0.004113061	0.880276470 Hartree
167	C16 Val(2p)	1.018303639	-0.212704545 Hartree
168	C16 Ryd(3p)	0.001671242	0.629218214 Hartree
169	C16 Val(2p)	1.048949227	-0.119963507 Hartree
170	C16 Ryd(3p)	0.003921417	0.578185949 Hartree
171	C16 Ryd(3d)	0.000846047	1.957010068 Hartree
172	C16 Ryd(3d)	0.000752409	2.147096986 Hartree
173	C16 Ryd(3d)	0.000567694	1.926937304 Hartree
174	C16 Ryd(3d)	0.000566754	1.764639865 Hartree
175	C16 Ryd(3d)	0.000780641	2.289841479 Hartree
176	C17 Cor(1s)	1.999996254	-10.328381051 Hartree
177	C17 Val(2s)	0.972410558	-0.227785455 Hartree
178	C17 Ryd(3s)	0.000575116	1.133937442 Hartree
179	C17 Ryd(4s)	0.000044960	3.877864230 Hartree
180	C17 Val(2p)	1.047711488	-0.159593581 Hartree
181	C17 Ryd(3p)	0.003414404	0.632430154 Hartree
182	C17 Val(2p)	0.988721828	-0.207275838 Hartree
183	C17 Ryd(3p)	0.001463212	0.543565854 Hartree
184	C17 Val(2p)	1.177913349	-0.163780102 Hartree
185	C17 Ryd(3p)	0.005283273	0.906379746 Hartree
186	C17 Ryd(3d)	0.000647043	2.088120785 Hartree
187	C17 Ryd(3d)	0.000797908	2.097339695 Hartree
188	C17 Ryd(3d)	0.000550464	1.833282214 Hartree
189	C17 Ryd(3d)	0.000541387	1.880530496 Hartree
190	C17 Ryd(3d)	0.000967277	2.168014198 Hartree
191	C18 Cor(1s)	1.999996207	-10.346153975 Hartree
192	C18 Val(2s)	0.957913594	-0.234700614 Hartree
193	C18 Ryd(3s)	0.000599706	1.088339904 Hartree
194	C18 Ryd(4s)	0.000049609	3.928524459 Hartree
195	C18 Val(2p)	1.074862181	-0.184219163 Hartree
196	C18 Ryd(3p)	0.002994246	0.666174053 Hartree
197	C18 Val(2p)	1.033765377	-0.228143729 Hartree
198	C18 Ryd(3p)	0.001445008	0.554230309 Hartree
199	C18 Val(2p)	1.133071517	-0.175419069 Hartree
200	C18 Ryd(3p)	0.004418523	0.889057834 Hartree
201	C18 Ryd(3d)	0.000635288	2.087437304 Hartree
202	C18 Ryd(3d)	0.000891125	2.089731897 Hartree
203	C18 Ryd(3d)	0.000579460	1.843456237 Hartree
204	C18 Ryd(3d)	0.000552027	1.872817346 Hartree
205	C18 Ryd(3d)	0.000798170	2.202615947 Hartree
206	H19 Val(1s)	0.745799822	-0.030172307 Hartree
207	H19 Ryd(2s)	0.000831462	0.477094229 Hartree
208	H20 Val(1s)	0.731264825	0.000989946 Hartree
209	H20 Ryd(2s)	0.000657669	0.460775872 Hartree
210	H21 Val(1s)	0.733416417	0.007321418 Hartree
211	H21 Ryd(2s)	0.000632189	0.464570019 Hartree
212	H22 Val(1s)	0.731264825	0.000989947 Hartree
213	H22 Ryd(2s)	0.000657669	0.460775872 Hartree
214	H23 Val(1s)	0.745799823	-0.030172307 Hartree
215	H23 Ryd(2s)	0.000831462	0.477094230 Hartree
216	C24 Cor(1s)	1.999995478	-10.365946966 Hartree
217	C24 Val(2s)	0.887764817	-0.228499536 Hartree
218	C24 Ryd(3s)	0.000627902	1.039731562 Hartree
219	C24 Ryd(4s)	0.000078430	4.173205425 Hartree
220	C24 Val(2p)	1.057609708	-0.208276511 Hartree
221	C24 Ryd(3p)	0.004333206	0.950632572 Hartree
222	C24 Val(2p)	1.077835137	-0.246429514 Hartree
223	C24 Ryd(3p)	0.004194754	0.703826631 Hartree
224	C24 Val(2p)	1.122563228	-0.187649974 Hartree
225	C24 Ryd(3p)	0.001818881	0.774544565 Hartree
226	C24 Ryd(3d)	0.000716362	2.077455423 Hartree
227	C24 Ryd(3d)	0.000509796	2.148926484 Hartree
228	C24 Ryd(3d)	0.000696128	1.897372750 Hartree
229	C24 Ryd(3d)	0.000430196	1.955252091 Hartree
230	C24 Ryd(3d)	0.000904110	2.262698591 Hartree
231	C25 Cor(1s)	1.999996207	-10.346153974 Hartree
232	C25 Val(2s)	0.957913594	-0.234700614 Hartree
233	C25 Ryd(3s)	0.000599706	1.088339905 Hartree
234	C25 Ryd(4s)	0.000049609	3.928524459 Hartree
235	C25 Val(2p)	1.074862181	-0.184219162 Hartree
236	C25 Ryd(3p)	0.002994246	0.666174054 Hartree
237	C25 Val(2p)	1.033765376	-0.228143728 Hartree
238	C25 Ryd(3p)	0.001445008	0.554230310 Hartree
239	C25 Val(2p)	1.133071517	-0.175419069 Hartree
240	C25 Ryd(3p)	0.004418523	0.889057834 Hartree
241	C25 Ryd(3d)	0.000635288	2.087437304 Hartree
242	C25 Ryd(3d)	0.000891125	2.089731898 Hartree
243	C25 Ryd(3d)	0.000579460	1.843456238 Hartree
244	C25 Ryd(3d)	0.000552027	1.872817346 Hartree
245	C25 Ryd(3d)	0.000798170	2.202615948 Hartree
246	C26 Cor(1s)	1.999996254	-10.328381051 Hartree
247	C26 Val(2s)	0.972410559	-0.227785455 Hartree
248	C26 Ryd(3s)	0.000575116	1.133937443 Hartree
249	C26 Ryd(4s)	0.000044960	3.877864230 Hartree
250	C26 Val(2p)	1.047711487	-0.159593581 Hartree
251	C26 Ryd(3p)	0.003414404	0.632430153 Hartree
252	C26 Val(2p)	0.988721827	-0.207275838 Hartree
253	C26 Ryd(3p)	0.001463212	0.543565854 Hartree
254	C26 Val(2p)	1.177913349	-0.163780102 Hartree
255	C26 Ryd(3p)	0.005283273	0.906379748 Hartree
256	C26 Ryd(3d)	0.000647043	2.088120786 Hartree
257	C26 Ryd(3d)	0.000797908	2.097339695 Hartree
258	C26 Ryd(3d)	0.000550464	1.833282214 Hartree
259	C26 Ryd(3d)	0.000541387	1.880530497 Hartree
260	C26 Ryd(3d)	0.000967277	2.168014198 Hartree
261	C27 Cor(1s)	1.999996266	-10.323172243 Hartree
262	C27 Val(2s)	0.976738912	-0.224528316 Hartree
263	C27 Ryd(3s)	0.000478644	1.163648519 Hartree
264	C27 Ryd(4s)	0.000043395	3.854597700 Hartree
265	C27 Val(2p)	1.148297575	-0.184488029 Hartree
266	C27 Ryd(3p)	0.004113061	0.880276470 Hartree
267	C27 Val(2p)	1.018303639	-0.212704545 Hartree
268	C27 Ryd(3p)	0.001671242	0.629218214 Hartree
269	C27 Val(2p)	1.048949227	-0.119963507 Hartree
270	C27 Ryd(3p)	0.003921417	0.578185949 Hartree
271	C27 Ryd(3d)	0.000846047	1.957010068 Hartree
272	C27 Ryd(3d)	0.000752409	2.147096986 Hartree
273	C27 Ryd(3d)	0.000567694	1.926937304 Hartree
274	C27 Ryd(3d)	0.000566754	1.764639865 Hartree
275	C27 Ryd(3d)	0.000780641	2.289841479 Hartree
276	C28 Cor(1s)	1.999996254	-10.328381051 Hartree
277	C28 Val(2s)	0.972410558	-0.227785455 Hartree
278	C28 Ryd(3s)	0.000575116	1.133937442 Hartree
279	C28 Ryd(4s)	0.000044960	3.877864230 Hartree
280	C28 Val(2p)	1.047711488	-0.159593581 Hartree
281	C28 Ryd(3p)	0.003414404	0.632430154 Hartree
282	C28 Val(2p)	0.988721828	-0.207275838 Hartree
283	C28 Ryd(3p)	0.001463212	0.543565854 Hartree
284	C28 Val(2p)	1.177913349	-0.163780102 Hartree
285	C28 Ryd(3p)	0.005283273	0.906379746 Hartree
286	C28 Ryd(3d)	0.000647043	2.088120785 Hartree
287	C28 Ryd(3d)	0.000797908	2.097339695 Hartree
288	C28 Ryd(3d)	0.000550464	1.833282214 Hartree
289	C28 Ryd(3d)	0.000541387	1.880530496 Hartree
290	C28 Ryd(3d)	0.000967277	2.168014198 Hartree
291	C29 Cor(1s)	1.999996207	-10.346153975 Hartree
292	C29 Val(2s)	0.957913594	-0.234700614 Hartree
293	C29 Ryd(3s)	0.000599706	1.088339905 Hartree
294	C29 Ryd(4s)	0.000049609	3.928524459 Hartree
295	C29 Val(2p)	1.074862181	-0.184219163 Hartree
296	C29 Ryd(3p)	0.002994246	0.666174053 Hartree
297	C29 Val(2p)	1.033765377	-0.228143729 Hartree
298	C29 Ryd(3p)	0.001445008	0.554230309 Hartree
299	C29 Val(2p)	1.133071517	-0.175419069 Hartree
300	C29 Ryd(3p)	0.004418523	0.889057834 Hartree
301	C29 Ryd(3d)	0.000635288	2.087437304 Hartree
302	C29 Ryd(3d)	0.000891125	2.089731897 Hartree
303	C29 Ryd(3d)	0.000579460	1.843456237 Hartree
304	C29 Ryd(3d)	0.000552027	1.872817346 Hartree
305	C29 Ryd(3d)	0.000798170	2.202615947 Hartree
306	H30 Val(1s)	0.745799822	-0.030172307 Hartree
307	H30 Ryd(2s)	0.000831462	0.477094229 Hartree
308	H31 Val(1s)	0.731264825	0.000989946 Hartree
309	H31 Ryd(2s)	0.000657669	0.460775872 Hartree
310	H32 Val(1s)	0.733416417	0.007321418 Hartree
311	H32 Ryd(2s)	0.000632189	0.464570019 Hartree
312	H33 Val(1s)	0.731264825	0.000989947 Hartree
313	H33 Ryd(2s)	0.000657669	0.460775872 Hartree
314	H34 Val(1s)	0.745799823	-0.030172307 Hartree
315	H34 Ryd(2s)	0.000831462	0.477094230 Hartree

Natural Hybrid Orbitals

Display Range		- / 315
Orbital	Description	Occupancy	Energy	Actions
1	CR(1)C1 s(100.00%)	1.999994680	-10.486343563 Hartree
2	CR(1)C2 s(100.00%)	1.999995478	-10.365946966 Hartree
3	CR(1)C3 s(100.00%)	1.999996207	-10.346153974 Hartree
4	CR(1)C4 s(100.00%)	1.999996254	-10.328381051 Hartree
5	CR(1)C5 s(100.00%)	1.999996266	-10.323172243 Hartree
6	CR(1)C6 s(100.00%)	1.999996254	-10.328381051 Hartree
7	CR(1)C7 s(100.00%)	1.999996207	-10.346153975 Hartree
8	CR(1)C13 s(100.00%)	1.999995478	-10.365946966 Hartree
9	CR(1)C14 s(100.00%)	1.999996207	-10.346153974 Hartree
10	CR(1)C15 s(100.00%)	1.999996254	-10.328381051 Hartree
11	CR(1)C16 s(100.00%)	1.999996266	-10.323172243 Hartree
12	CR(1)C17 s(100.00%)	1.999996254	-10.328381051 Hartree
13	CR(1)C18 s(100.00%)	1.999996207	-10.346153975 Hartree
14	CR(1)C24 s(100.00%)	1.999995478	-10.365946966 Hartree
15	CR(1)C25 s(100.00%)	1.999996207	-10.346153974 Hartree
16	CR(1)C26 s(100.00%)	1.999996254	-10.328381051 Hartree
17	CR(1)C27 s(100.00%)	1.999996266	-10.323172243 Hartree
18	CR(1)C28 s(100.00%)	1.999996254	-10.328381051 Hartree
19	CR(1)C29 s(100.00%)	1.999996207	-10.346153975 Hartree
20	BD(1)C1(C2) 1s(33.32%)p2.00(66.62%)d0.00(0.06%)	1.021449171	-0.247761642 Hartree
21	BD(1)C2(C1) 2s(29.62%)p2.37(70.31%)d0.00(0.07%)	0.984737417	-0.225564984 Hartree
22	BD(1)C1(C13) 1s(33.32%)p2.00(66.62%)d0.00(0.06%)	1.021449171	-0.247761642 Hartree
23	BD(1)C13(C1) 13s(29.62%)p2.37(70.31%)d0.00(0.07%)	0.984737417	-0.225564984 Hartree
24	BD(1)C1(C24) 1s(33.32%)p2.00(66.62%)d0.00(0.06%)	1.021449171	-0.247761642 Hartree
25	BD(1)C24(C1) 24s(29.62%)p2.37(70.31%)d0.00(0.07%)	0.984737417	-0.225564984 Hartree
26	BD(1)C2(C3) 2s(35.15%)p1.84(64.81%)d0.00(0.04%)	1.037405617	-0.187259177 Hartree
27	BD(1)C3(C2) 3s(33.55%)p1.98(66.38%)d0.00(0.07%)	0.928450420	-0.141138968 Hartree
28	BD(2)C2(C3) 2s(0.00%)p1.00(99.98%)d0.00(0.02%)	1.087871010	-0.265277314 Hartree
29	BD(2)C3(C2) 3s(0.00%)p1.00(99.95%)d0.00(0.05%)	1.013390846	-0.248980266 Hartree
30	BD(1)C2(C7) 2s(35.15%)p1.84(64.81%)d0.00(0.04%)	1.037405617	-0.187259178 Hartree
31	BD(1)C7(C2) 7s(33.55%)p1.98(66.38%)d0.00(0.07%)	0.928450420	-0.141138968 Hartree
32	BD(1)C3(C4) 3s(36.29%)p1.75(63.65%)d0.00(0.06%)	1.013724941	-0.147172680 Hartree
33	BD(1)C4(C3) 4s(34.77%)p1.87(65.16%)d0.00(0.07%)	0.973280960	-0.128987926 Hartree
34	BD(1)C3(H12) 3s(30.07%)p2.32(69.86%)d0.00(0.07%)	1.248626205	-0.267201057 Hartree
35	BD(1)H12(C3) 12s(100.00%)	0.745797670	-0.029252302 Hartree
36	BD(1)C4(C5) 4s(35.62%)p1.81(64.31%)d0.00(0.06%)	1.003199037	-0.133244970 Hartree
37	BD(1)C5(C4) 5s(35.00%)p1.85(64.93%)d0.00(0.07%)	0.992235803	-0.127158397 Hartree
38	BD(2)C4(C5) 4s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.959622595	-0.231379106 Hartree
39	BD(2)C5(C4) 5s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.953754617	-0.226904704 Hartree
40	BD(1)C4(H11) 4s(29.55%)p2.38(70.38%)d0.00(0.07%)	1.256302320	-0.246609623 Hartree
41	BD(1)H11(C4) 11s(100.00%)	0.731263066	0.001832262 Hartree
42	BD(1)C5(C6) 5s(35.00%)p1.85(64.93%)d0.00(0.07%)	0.992235803	-0.127158397 Hartree
43	BD(1)C6(C5) 6s(35.62%)p1.81(64.31%)d0.00(0.06%)	1.003199038	-0.133244970 Hartree
44	BD(1)C5(H10) 5s(29.92%)p2.34(70.01%)d0.00(0.07%)	1.259769576	-0.241955422 Hartree
45	BD(1)H10(C5) 10s(100.00%)	0.733414614	0.008173253 Hartree
46	BD(1)C6(C7) 6s(34.77%)p1.87(65.16%)d0.00(0.07%)	0.973280961	-0.128987927 Hartree
47	BD(1)C7(C6) 7s(36.29%)p1.75(63.65%)d0.00(0.06%)	1.013724941	-0.147172681 Hartree
48	BD(2)C6(C7) 6s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.959585247	-0.230742917 Hartree
49	BD(2)C7(C6) 7s(0.00%)p1.00(99.96%)d0.00(0.04%)	1.013482561	-0.249802506 Hartree
50	BD(1)C6(H9) 6s(29.55%)p2.38(70.38%)d0.00(0.07%)	1.256302320	-0.246609623 Hartree
51	BD(1)H9(C6) 9s(100.00%)	0.731263066	0.001832261 Hartree
52	BD(1)C7(H8) 7s(30.07%)p2.32(69.86%)d0.00(0.07%)	1.248626205	-0.267201057 Hartree
53	BD(1)H8(C7) 8s(100.00%)	0.745797670	-0.029252302 Hartree
54	BD(1)C13(C14) 13s(35.15%)p1.84(64.81%)d0.00(0.04%)	1.037405617	-0.187259177 Hartree
55	BD(1)C14(C13) 14s(33.55%)p1.98(66.38%)d0.00(0.07%)	0.928450420	-0.141138968 Hartree
56	BD(2)C13(C14) 13s(0.00%)p1.00(99.98%)d0.00(0.02%)	1.087871010	-0.265277314 Hartree
57	BD(2)C14(C13) 14s(0.00%)p1.00(99.95%)d0.00(0.05%)	1.013390846	-0.248980266 Hartree
58	BD(1)C13(C18) 13s(35.15%)p1.84(64.81%)d0.00(0.04%)	1.037405617	-0.187259178 Hartree
59	BD(1)C18(C13) 18s(33.55%)p1.98(66.38%)d0.00(0.07%)	0.928450420	-0.141138968 Hartree
60	BD(1)C14(C15) 14s(36.29%)p1.75(63.65%)d0.00(0.06%)	1.013724941	-0.147172680 Hartree
61	BD(1)C15(C14) 15s(34.77%)p1.87(65.16%)d0.00(0.07%)	0.973280960	-0.128987926 Hartree
62	BD(1)C14(H23) 14s(30.07%)p2.32(69.86%)d0.00(0.07%)	1.248626205	-0.267201057 Hartree
63	BD(1)H23(C14) 23s(100.00%)	0.745797670	-0.029252302 Hartree
64	BD(1)C15(C16) 15s(35.62%)p1.81(64.31%)d0.00(0.06%)	1.003199037	-0.133244970 Hartree
65	BD(1)C16(C15) 16s(35.00%)p1.85(64.93%)d0.00(0.07%)	0.992235803	-0.127158397 Hartree
66	BD(2)C15(C16) 15s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.959622595	-0.231379106 Hartree
67	BD(2)C16(C15) 16s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.953754617	-0.226904704 Hartree
68	BD(1)C15(H22) 15s(29.55%)p2.38(70.38%)d0.00(0.07%)	1.256302320	-0.246609623 Hartree
69	BD(1)H22(C15) 22s(100.00%)	0.731263066	0.001832262 Hartree
70	BD(1)C16(C17) 16s(35.00%)p1.85(64.93%)d0.00(0.07%)	0.992235803	-0.127158397 Hartree
71	BD(1)C17(C16) 17s(35.62%)p1.81(64.31%)d0.00(0.06%)	1.003199038	-0.133244970 Hartree
72	BD(1)C16(H21) 16s(29.92%)p2.34(70.01%)d0.00(0.07%)	1.259769576	-0.241955422 Hartree
73	BD(1)H21(C16) 21s(100.00%)	0.733414614	0.008173253 Hartree
74	BD(1)C17(C18) 17s(34.77%)p1.87(65.16%)d0.00(0.07%)	0.973280961	-0.128987927 Hartree
75	BD(1)C18(C17) 18s(36.29%)p1.75(63.65%)d0.00(0.06%)	1.013724941	-0.147172681 Hartree
76	BD(2)C17(C18) 17s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.959585247	-0.230742917 Hartree
77	BD(2)C18(C17) 18s(0.00%)p1.00(99.96%)d0.00(0.04%)	1.013482561	-0.249802506 Hartree
78	BD(1)C17(H20) 17s(29.55%)p2.38(70.38%)d0.00(0.07%)	1.256302320	-0.246609623 Hartree
79	BD(1)H20(C17) 20s(100.00%)	0.731263066	0.001832261 Hartree
80	BD(1)C18(H19) 18s(30.07%)p2.32(69.86%)d0.00(0.07%)	1.248626205	-0.267201057 Hartree
81	BD(1)H19(C18) 19s(100.00%)	0.745797670	-0.029252302 Hartree
82	BD(1)C24(C25) 24s(35.15%)p1.84(64.81%)d0.00(0.04%)	1.037405617	-0.187259177 Hartree
83	BD(1)C25(C24) 25s(33.55%)p1.98(66.38%)d0.00(0.07%)	0.928450420	-0.141138968 Hartree
84	BD(2)C24(C25) 24s(0.00%)p1.00(99.98%)d0.00(0.02%)	1.087871010	-0.265277314 Hartree
85	BD(2)C25(C24) 25s(0.00%)p1.00(99.95%)d0.00(0.05%)	1.013390846	-0.248980266 Hartree
86	BD(1)C24(C29) 24s(35.15%)p1.84(64.81%)d0.00(0.04%)	1.037405617	-0.187259178 Hartree
87	BD(1)C29(C24) 29s(33.55%)p1.98(66.38%)d0.00(0.07%)	0.928450420	-0.141138968 Hartree
88	BD(1)C25(C26) 25s(36.29%)p1.75(63.65%)d0.00(0.06%)	1.013724941	-0.147172680 Hartree
89	BD(1)C26(C25) 26s(34.77%)p1.87(65.16%)d0.00(0.07%)	0.973280960	-0.128987926 Hartree
90	BD(1)C25(H34) 25s(30.07%)p2.32(69.86%)d0.00(0.07%)	1.248626205	-0.267201057 Hartree
91	BD(1)H34(C25) 34s(100.00%)	0.745797670	-0.029252302 Hartree
92	BD(1)C26(C27) 26s(35.62%)p1.81(64.31%)d0.00(0.06%)	1.003199037	-0.133244970 Hartree
93	BD(1)C27(C26) 27s(35.00%)p1.85(64.93%)d0.00(0.07%)	0.992235803	-0.127158397 Hartree
94	BD(2)C26(C27) 26s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.959622595	-0.231379106 Hartree
95	BD(2)C27(C26) 27s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.953754617	-0.226904704 Hartree
96	BD(1)C26(H33) 26s(29.55%)p2.38(70.38%)d0.00(0.07%)	1.256302320	-0.246609623 Hartree
97	BD(1)H33(C26) 33s(100.00%)	0.731263066	0.001832262 Hartree
98	BD(1)C27(C28) 27s(35.00%)p1.85(64.93%)d0.00(0.07%)	0.992235803	-0.127158397 Hartree
99	BD(1)C28(C27) 28s(35.62%)p1.81(64.31%)d0.00(0.06%)	1.003199038	-0.133244970 Hartree
100	BD(1)C27(H32) 27s(29.92%)p2.34(70.01%)d0.00(0.07%)	1.259769576	-0.241955422 Hartree
101	BD(1)H32(C27) 32s(100.00%)	0.733414614	0.008173253 Hartree
102	BD(1)C28(C29) 28s(34.77%)p1.87(65.16%)d0.00(0.07%)	0.973280961	-0.128987927 Hartree
103	BD(1)C29(C28) 29s(36.29%)p1.75(63.65%)d0.00(0.06%)	1.013724941	-0.147172681 Hartree
104	BD(2)C28(C29) 28s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.959585247	-0.230742917 Hartree
105	BD(2)C29(C28) 29s(0.00%)p1.00(99.96%)d0.00(0.04%)	1.013482561	-0.249802506 Hartree
106	BD(1)C28(H31) 28s(29.55%)p2.38(70.38%)d0.00(0.07%)	1.256302320	-0.246609623 Hartree
107	BD(1)H31(C28) 31s(100.00%)	0.731263066	0.001832261 Hartree
108	BD(1)C29(H30) 29s(30.07%)p2.32(69.86%)d0.00(0.07%)	1.248626205	-0.267201057 Hartree
109	BD(1)H30(C29) 30s(100.00%)	0.745797670	-0.029252302 Hartree
110	RY(1)C1 s(0.00%)p1.00(50.75%)d0.97(49.25%)	0.275971681	-0.261905859 Hartree
111	RY(2)C1 s(0.00%)p1.00(50.75%)d0.97(49.25%)	0.001575149	1.316545308 Hartree
112	RY(3)C1 s(0.00%)p1.00(100.00%)	0.001575149	1.316545308 Hartree
113	RY(4)C1 s(0.00%)p1.00(49.32%)d1.03(50.68%)	0.000611652	0.610477312 Hartree
114	RY(5)C1 s(0.00%)p1.00(49.32%)d1.03(50.68%)	0.000585141	1.483552528 Hartree
115	RY(6)C1 s(96.14%)p0.00(0.00%)d0.04(3.86%)	0.000585141	1.483552528 Hartree
116	RY(7)C1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000460733	1.325425950 Hartree
117	RY(8)C1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000399468	1.903613675 Hartree
118	RY(9)C1 s(92.37%)p0.00(0.00%)d0.08(7.63%)	0.000399468	1.903613675 Hartree
119	RY(10)C1 s(11.54%)p0.00(0.00%)d7.67(88.46%)	0.000028767	3.646228728 Hartree
120	RY(1)C2 s(3.34%)p26.41(88.26%)d2.51(8.40%)	0.000018437	2.219192255 Hartree
121	RY(2)C2 s(0.00%)p1.00(97.97%)d0.02(2.03%)	0.004843121	1.207383321 Hartree
122	RY(3)C2 s(0.00%)p1.00(94.41%)d0.06(5.59%)	0.004201509	0.603709659 Hartree
123	RY(4)C2 s(0.00%)p1.00(0.02%)d99.99(99.98%)	0.001780990	0.894276063 Hartree
124	RY(5)C2 s(92.69%)p0.03(2.43%)d0.05(4.88%)	0.000933766	1.771244052 Hartree
125	RY(6)C2 s(0.00%)p1.00(5.61%)d16.83(94.39%)	0.000499903	1.296033716 Hartree
126	RY(7)C2 s(0.00%)p1.00(2.03%)d48.35(97.97%)	0.000158059	2.150939266 Hartree
127	RY(8)C2 s(86.94%)p0.01(1.25%)d0.14(11.81%)	0.000143501	1.870987557 Hartree
128	RY(9)C2 s(12.22%)p0.45(5.49%)d6.73(82.29%)	0.000065287	3.927428474 Hartree
129	RY(10)C2 s(4.89%)p0.54(2.63%)d18.93(92.48%)	0.000025989	2.324546873 Hartree
130	RY(1)C3 s(0.62%)p99.99(92.67%)d10.79(6.71%)	0.000010870	1.931602231 Hartree
131	RY(2)C3 s(1.30%)p73.38(95.65%)d2.34(3.05%)	0.004549910	1.109036350 Hartree
132	RY(3)C3 s(0.00%)p1.00(48.22%)d1.07(51.78%)	0.002055154	0.673206646 Hartree
133	RY(4)C3 s(0.00%)p1.00(46.10%)d1.17(53.90%)	0.000948883	1.157946351 Hartree
134	RY(5)C3 s(96.29%)p0.02(2.38%)d0.01(1.33%)	0.000471670	1.179706274 Hartree
135	RY(6)C3 s(3.58%)p1.03(3.70%)d25.91(92.72%)	0.000205857	0.936573286 Hartree
136	RY(7)C3 s(74.14%)p0.02(1.66%)d0.33(24.20%)	0.000089634	2.231706279 Hartree
137	RY(8)C3 s(0.00%)p1.00(5.73%)d16.45(94.27%)	0.000041157	3.504456506 Hartree
138	RY(9)C3 s(22.09%)p0.18(4.03%)d3.34(73.88%)	0.000009987	1.645305844 Hartree
139	RY(10)C3 s(2.06%)p0.02(0.04%)d47.51(97.90%)	0.000009323	2.573855403 Hartree
140	RY(1)C4 s(0.23%)p99.99(92.95%)d29.14(6.81%)	0.000001844	2.192602755 Hartree
141	RY(2)C4 s(0.12%)p99.99(98.80%)d8.69(1.08%)	0.004902480	1.139195910 Hartree
142	RY(3)C4 s(0.00%)p1.00(19.60%)d4.10(80.40%)	0.002424210	0.599287350 Hartree
143	RY(4)C4 s(0.00%)p1.00(70.65%)d0.42(29.35%)	0.000661198	1.554935994 Hartree
144	RY(5)C4 s(67.55%)p0.00(0.17%)d0.48(32.28%)	0.000344151	0.840249717 Hartree
145	RY(6)C4 s(31.95%)p0.04(1.28%)d2.09(66.77%)	0.000167825	1.327621280 Hartree
146	RY(7)C4 s(94.92%)p0.00(0.08%)d0.05(5.01%)	0.000094340	1.799475793 Hartree
147	RY(8)C4 s(0.94%)p6.79(6.41%)d98.06(92.64%)	0.000038695	4.024583375 Hartree
148	RY(9)C4 s(0.00%)p1.00(9.80%)d9.20(90.20%)	0.000002031	2.036668386 Hartree
149	RY(10)C4 s(4.34%)p0.10(0.44%)d21.92(95.21%)	0.000001971	1.582198960 Hartree
150	RY(1)C5 s(0.23%)p99.99(92.47%)d32.39(7.31%)	0.000000451	2.239034703 Hartree
151	RY(2)C5 s(0.00%)p1.00(99.00%)d0.01(1.00%)	0.004677387	1.148602420 Hartree
152	RY(3)C5 s(0.00%)p1.00(0.98%)d99.99(99.02%)	0.002198825	0.595291485 Hartree
153	RY(4)C5 s(0.00%)p1.00(88.77%)d0.13(11.23%)	0.000556440	1.803219232 Hartree
154	RY(5)C5 s(0.00%)p1.00(1.07%)d92.64(98.93%)	0.000347919	0.603155447 Hartree
155	RY(6)C5 s(97.53%)p0.00(0.09%)d0.02(2.39%)	0.000118963	2.226115263 Hartree
156	RY(7)C5 s(95.83%)p0.00(0.15%)d0.04(4.03%)	0.000092132	0.883288173 Hartree
157	RY(8)C5 s(1.33%)p5.09(6.75%)d69.37(91.93%)	0.000038531	4.053918275 Hartree
158	RY(9)C5 s(0.00%)p1.00(10.30%)d8.71(89.70%)	0.000003870	2.031244152 Hartree
159	RY(10)C5 s(5.17%)p0.12(0.62%)d18.24(94.22%)	0.000000471	1.582718536 Hartree
160	RY(1)C6 s(0.23%)p99.99(92.95%)d29.14(6.81%)	0.000000321	2.245392096 Hartree
161	RY(2)C6 s(0.12%)p99.99(98.80%)d8.69(1.08%)	0.004902480	1.139195909 Hartree
162	RY(3)C6 s(0.00%)p1.00(26.83%)d2.73(73.17%)	0.002424210	0.599287350 Hartree
163	RY(4)C6 s(0.00%)p1.00(63.42%)d0.58(36.58%)	0.000719323	1.455733086 Hartree
164	RY(5)C6 s(67.55%)p0.00(0.17%)d0.48(32.28%)	0.000323375	0.938844137 Hartree
165	RY(6)C6 s(31.95%)p0.04(1.28%)d2.09(66.77%)	0.000167825	1.327621279 Hartree
166	RY(7)C6 s(94.92%)p0.00(0.08%)d0.05(5.01%)	0.000094340	1.799475793 Hartree
167	RY(8)C6 s(0.94%)p6.79(6.41%)d98.06(92.64%)	0.000038695	4.024583378 Hartree
168	RY(9)C6 s(0.00%)p1.00(9.80%)d9.20(90.20%)	0.000002031	2.036668385 Hartree
169	RY(10)C6 s(4.34%)p0.10(0.44%)d21.92(95.21%)	0.000001971	1.582171258 Hartree
170	RY(1)C7 s(0.62%)p99.99(92.67%)d10.79(6.71%)	0.000000451	2.239034700 Hartree
171	RY(2)C7 s(1.30%)p73.38(95.65%)d2.34(3.05%)	0.004549910	1.109036350 Hartree
172	RY(3)C7 s(0.00%)p1.00(45.40%)d1.20(54.60%)	0.002055154	0.673206646 Hartree
173	RY(4)C7 s(0.00%)p1.00(48.95%)d1.04(51.05%)	0.000815900	1.197674734 Hartree
174	RY(5)C7 s(96.29%)p0.02(2.38%)d0.01(1.33%)	0.000512973	1.140179380 Hartree
175	RY(6)C7 s(3.58%)p1.03(3.70%)d25.91(92.72%)	0.000205857	0.936573285 Hartree
176	RY(7)C7 s(74.14%)p0.02(1.66%)d0.33(24.20%)	0.000089634	2.231706280 Hartree
177	RY(8)C7 s(0.00%)p1.00(5.69%)d16.59(94.31%)	0.000041157	3.504456504 Hartree
178	RY(9)C7 s(22.09%)p0.18(4.03%)d3.34(73.88%)	0.000009954	1.645926592 Hartree
179	RY(10)C7 s(2.06%)p0.02(0.04%)d47.51(97.90%)	0.000009323	2.573855404 Hartree
180	RY(1)H8 s(100.00%)	0.000001844	2.192602753 Hartree
181	RY(1)H9 s(100.00%)	0.000833615	0.476174224 Hartree
182	RY(1)H10 s(100.00%)	0.000659428	0.459933557 Hartree
183	RY(1)H11 s(100.00%)	0.000633992	0.463718184 Hartree
184	RY(1)H12 s(100.00%)	0.000659428	0.459933557 Hartree
185	RY(1)C13 s(3.34%)p26.41(88.26%)d2.51(8.40%)	0.000833615	0.476174225 Hartree
186	RY(2)C13 s(0.00%)p1.00(97.97%)d0.02(2.03%)	0.004843121	1.207383321 Hartree
187	RY(3)C13 s(0.00%)p1.00(94.41%)d0.06(5.59%)	0.004201509	0.603709659 Hartree
188	RY(4)C13 s(0.00%)p1.00(0.02%)d99.99(99.98%)	0.001780990	0.894276063 Hartree
189	RY(5)C13 s(92.69%)p0.03(2.43%)d0.05(4.88%)	0.000933766	1.771244052 Hartree
190	RY(6)C13 s(0.00%)p1.00(5.61%)d16.83(94.39%)	0.000499903	1.296033717 Hartree
191	RY(7)C13 s(0.00%)p1.00(2.03%)d48.35(97.97%)	0.000158059	2.150939266 Hartree
192	RY(8)C13 s(86.94%)p0.01(1.25%)d0.14(11.81%)	0.000143501	1.870987557 Hartree
193	RY(9)C13 s(12.22%)p0.45(5.49%)d6.73(82.29%)	0.000065287	3.927428475 Hartree
194	RY(10)C13 s(4.89%)p0.54(2.63%)d18.93(92.48%)	0.000025989	2.324546872 Hartree
195	RY(1)C14 s(0.62%)p99.99(92.67%)d10.79(6.71%)	0.000010870	1.931602231 Hartree
196	RY(2)C14 s(1.30%)p73.38(95.65%)d2.34(3.05%)	0.004549910	1.109036350 Hartree
197	RY(3)C14 s(0.00%)p1.00(48.22%)d1.07(51.78%)	0.002055154	0.673206646 Hartree
198	RY(4)C14 s(0.00%)p1.00(46.10%)d1.17(53.90%)	0.000948883	1.157946351 Hartree
199	RY(5)C14 s(96.29%)p0.02(2.38%)d0.01(1.33%)	0.000471670	1.179706274 Hartree
200	RY(6)C14 s(3.58%)p1.03(3.70%)d25.91(92.72%)	0.000205857	0.936573286 Hartree
201	RY(7)C14 s(74.14%)p0.02(1.66%)d0.33(24.20%)	0.000089634	2.231706279 Hartree
202	RY(8)C14 s(0.00%)p1.00(5.73%)d16.45(94.27%)	0.000041157	3.504456506 Hartree
203	RY(9)C14 s(22.09%)p0.18(4.03%)d3.34(73.88%)	0.000009987	1.645305844 Hartree
204	RY(10)C14 s(2.06%)p0.02(0.04%)d47.51(97.90%)	0.000009323	2.573855404 Hartree
205	RY(1)C15 s(0.23%)p99.99(92.95%)d29.14(6.81%)	0.000001844	2.192602754 Hartree
206	RY(2)C15 s(0.12%)p99.99(98.80%)d8.69(1.08%)	0.004902480	1.139195910 Hartree
207	RY(3)C15 s(0.00%)p1.00(19.60%)d4.10(80.40%)	0.002424210	0.599287350 Hartree
208	RY(4)C15 s(0.00%)p1.00(70.65%)d0.42(29.35%)	0.000661198	1.554935994 Hartree
209	RY(5)C15 s(67.55%)p0.00(0.17%)d0.48(32.28%)	0.000344151	0.840249717 Hartree
210	RY(6)C15 s(31.95%)p0.04(1.28%)d2.09(66.77%)	0.000167825	1.327621277 Hartree
211	RY(7)C15 s(94.92%)p0.00(0.08%)d0.05(5.01%)	0.000094340	1.799475795 Hartree
212	RY(8)C15 s(0.94%)p6.79(6.41%)d98.06(92.64%)	0.000038695	4.024583377 Hartree
213	RY(9)C15 s(0.00%)p1.00(9.80%)d9.20(90.20%)	0.000002031	2.036668387 Hartree
214	RY(10)C15 s(4.34%)p0.10(0.44%)d21.92(95.21%)	0.000001971	1.582198960 Hartree
215	RY(1)C16 s(0.23%)p99.99(92.47%)d32.39(7.31%)	0.000000451	2.239034700 Hartree
216	RY(2)C16 s(0.00%)p1.00(99.00%)d0.01(1.00%)	0.004677387	1.148602420 Hartree
217	RY(3)C16 s(0.00%)p1.00(0.98%)d99.99(99.02%)	0.002198825	0.595291485 Hartree
218	RY(4)C16 s(0.00%)p1.00(88.77%)d0.13(11.23%)	0.000556440	1.803219232 Hartree
219	RY(5)C16 s(0.00%)p1.00(1.07%)d92.64(98.93%)	0.000347919	0.603155447 Hartree
220	RY(6)C16 s(97.53%)p0.00(0.09%)d0.02(2.39%)	0.000118963	2.226115263 Hartree
221	RY(7)C16 s(95.83%)p0.00(0.15%)d0.04(4.03%)	0.000092132	0.883288173 Hartree
222	RY(8)C16 s(1.33%)p5.09(6.75%)d69.37(91.93%)	0.000038531	4.053918275 Hartree
223	RY(9)C16 s(0.00%)p1.00(10.30%)d8.71(89.70%)	0.000003870	2.031244152 Hartree
224	RY(10)C16 s(5.17%)p0.12(0.62%)d18.24(94.22%)	0.000000471	1.582718536 Hartree
225	RY(1)C17 s(0.23%)p99.99(92.95%)d29.14(6.81%)	0.000000321	2.245392096 Hartree
226	RY(2)C17 s(0.12%)p99.99(98.80%)d8.69(1.08%)	0.004902480	1.139195909 Hartree
227	RY(3)C17 s(0.00%)p1.00(26.83%)d2.73(73.17%)	0.002424210	0.599287350 Hartree
228	RY(4)C17 s(0.00%)p1.00(63.42%)d0.58(36.58%)	0.000719323	1.455733086 Hartree
229	RY(5)C17 s(67.55%)p0.00(0.17%)d0.48(32.28%)	0.000323375	0.938844137 Hartree
230	RY(6)C17 s(31.95%)p0.04(1.28%)d2.09(66.77%)	0.000167825	1.327621278 Hartree
231	RY(7)C17 s(94.92%)p0.00(0.08%)d0.05(5.01%)	0.000094340	1.799475794 Hartree
232	RY(8)C17 s(0.94%)p6.79(6.41%)d98.06(92.64%)	0.000038695	4.024583378 Hartree
233	RY(9)C17 s(0.00%)p1.00(9.80%)d9.20(90.20%)	0.000002031	2.036668384 Hartree
234	RY(10)C17 s(4.34%)p0.10(0.44%)d21.92(95.21%)	0.000001971	1.582171258 Hartree
235	RY(1)C18 s(0.62%)p99.99(92.67%)d10.79(6.71%)	0.000000451	2.239034701 Hartree
236	RY(2)C18 s(1.30%)p73.38(95.65%)d2.34(3.05%)	0.004549910	1.109036350 Hartree
237	RY(3)C18 s(0.00%)p1.00(45.40%)d1.20(54.60%)	0.002055154	0.673206646 Hartree
238	RY(4)C18 s(0.00%)p1.00(48.95%)d1.04(51.05%)	0.000815900	1.197674734 Hartree
239	RY(5)C18 s(96.29%)p0.02(2.38%)d0.01(1.33%)	0.000512973	1.140179380 Hartree
240	RY(6)C18 s(3.58%)p1.03(3.70%)d25.91(92.72%)	0.000205857	0.936573285 Hartree
241	RY(7)C18 s(74.14%)p0.02(1.66%)d0.33(24.20%)	0.000089634	2.231706280 Hartree
242	RY(8)C18 s(0.00%)p1.00(5.69%)d16.59(94.31%)	0.000041157	3.504456507 Hartree
243	RY(9)C18 s(22.09%)p0.18(4.03%)d3.34(73.88%)	0.000009954	1.645926592 Hartree
244	RY(10)C18 s(2.06%)p0.02(0.04%)d47.51(97.90%)	0.000009323	2.573855401 Hartree
245	RY(1)H19 s(100.00%)	0.000001844	2.192602753 Hartree
246	RY(1)H20 s(100.00%)	0.000833615	0.476174224 Hartree
247	RY(1)H21 s(100.00%)	0.000659428	0.459933557 Hartree
248	RY(1)H22 s(100.00%)	0.000633992	0.463718184 Hartree
249	RY(1)H23 s(100.00%)	0.000659428	0.459933557 Hartree
250	RY(1)C24 s(3.34%)p26.41(88.26%)d2.51(8.40%)	0.000833615	0.476174225 Hartree
251	RY(2)C24 s(0.00%)p1.00(97.97%)d0.02(2.03%)	0.004843121	1.207383321 Hartree
252	RY(3)C24 s(0.00%)p1.00(94.41%)d0.06(5.59%)	0.004201509	0.603709659 Hartree
253	RY(4)C24 s(0.00%)p1.00(0.02%)d99.99(99.98%)	0.001780990	0.894276063 Hartree
254	RY(5)C24 s(92.69%)p0.03(2.43%)d0.05(4.88%)	0.000933766	1.771244052 Hartree
255	RY(6)C24 s(0.00%)p1.00(5.61%)d16.83(94.39%)	0.000499903	1.296033717 Hartree
256	RY(7)C24 s(0.00%)p1.00(2.03%)d48.35(97.97%)	0.000158059	2.150939266 Hartree
257	RY(8)C24 s(86.94%)p0.01(1.25%)d0.14(11.81%)	0.000143501	1.870987557 Hartree
258	RY(9)C24 s(12.22%)p0.45(5.49%)d6.73(82.29%)	0.000065287	3.927428475 Hartree
259	RY(10)C24 s(4.89%)p0.54(2.63%)d18.93(92.48%)	0.000025989	2.324546873 Hartree
260	RY(1)C25 s(0.62%)p99.99(92.67%)d10.79(6.71%)	0.000010870	1.931602231 Hartree
261	RY(2)C25 s(1.30%)p73.38(95.65%)d2.34(3.05%)	0.004549910	1.109036350 Hartree
262	RY(3)C25 s(0.00%)p1.00(48.22%)d1.07(51.78%)	0.002055154	0.673206646 Hartree
263	RY(4)C25 s(0.00%)p1.00(46.10%)d1.17(53.90%)	0.000948883	1.157946351 Hartree
264	RY(5)C25 s(96.29%)p0.02(2.38%)d0.01(1.33%)	0.000471670	1.179706274 Hartree
265	RY(6)C25 s(3.58%)p1.03(3.70%)d25.91(92.72%)	0.000205857	0.936573286 Hartree
266	RY(7)C25 s(74.14%)p0.02(1.66%)d0.33(24.20%)	0.000089634	2.231706279 Hartree
267	RY(8)C25 s(0.00%)p1.00(5.73%)d16.45(94.27%)	0.000041157	3.504456510 Hartree
268	RY(9)C25 s(22.09%)p0.18(4.03%)d3.34(73.88%)	0.000009987	1.645305844 Hartree
269	RY(10)C25 s(2.06%)p0.02(0.04%)d47.51(97.90%)	0.000009323	2.573855400 Hartree
270	RY(1)C26 s(0.23%)p99.99(92.95%)d29.14(6.81%)	0.000001844	2.192602753 Hartree
271	RY(2)C26 s(0.12%)p99.99(98.80%)d8.69(1.08%)	0.004902480	1.139195910 Hartree
272	RY(3)C26 s(0.00%)p1.00(19.60%)d4.10(80.40%)	0.002424210	0.599287350 Hartree
273	RY(4)C26 s(0.00%)p1.00(70.65%)d0.42(29.35%)	0.000661198	1.554935994 Hartree
274	RY(5)C26 s(67.55%)p0.00(0.17%)d0.48(32.28%)	0.000344151	0.840249717 Hartree
275	RY(6)C26 s(31.95%)p0.04(1.28%)d2.09(66.77%)	0.000167825	1.327621277 Hartree
276	RY(7)C26 s(94.92%)p0.00(0.08%)d0.05(5.01%)	0.000094340	1.799475795 Hartree
277	RY(8)C26 s(0.94%)p6.79(6.41%)d98.06(92.64%)	0.000038695	4.024583378 Hartree
278	RY(9)C26 s(0.00%)p1.00(9.80%)d9.20(90.20%)	0.000002031	2.036668387 Hartree
279	RY(10)C26 s(4.34%)p0.10(0.44%)d21.92(95.21%)	0.000001971	1.582198960 Hartree
280	RY(1)C27 s(0.23%)p99.99(92.47%)d32.39(7.31%)	0.000000451	2.239034700 Hartree
281	RY(2)C27 s(0.00%)p1.00(99.00%)d0.01(1.00%)	0.004677387	1.148602420 Hartree
282	RY(3)C27 s(0.00%)p1.00(0.98%)d99.99(99.02%)	0.002198825	0.595291485 Hartree
283	RY(4)C27 s(0.00%)p1.00(88.77%)d0.13(11.23%)	0.000556440	1.803219232 Hartree
284	RY(5)C27 s(0.00%)p1.00(1.07%)d92.64(98.93%)	0.000347919	0.603155447 Hartree
285	RY(6)C27 s(97.53%)p0.00(0.09%)d0.02(2.39%)	0.000118963	2.226115263 Hartree
286	RY(7)C27 s(95.83%)p0.00(0.15%)d0.04(4.03%)	0.000092132	0.883288173 Hartree
287	RY(8)C27 s(1.33%)p5.09(6.75%)d69.37(91.93%)	0.000038531	4.053918276 Hartree
288	RY(9)C27 s(0.00%)p1.00(10.30%)d8.71(89.70%)	0.000003870	2.031244152 Hartree
289	RY(10)C27 s(5.17%)p0.12(0.62%)d18.24(94.22%)	0.000000471	1.582718536 Hartree
290	RY(1)C28 s(0.23%)p99.99(92.95%)d29.14(6.81%)	0.000000321	2.245392096 Hartree
291	RY(2)C28 s(0.12%)p99.99(98.80%)d8.69(1.08%)	0.004902480	1.139195909 Hartree
292	RY(3)C28 s(0.00%)p1.00(26.83%)d2.73(73.17%)	0.002424210	0.599287350 Hartree
293	RY(4)C28 s(0.00%)p1.00(63.42%)d0.58(36.58%)	0.000719323	1.455733086 Hartree
294	RY(5)C28 s(67.55%)p0.00(0.17%)d0.48(32.28%)	0.000323375	0.938844137 Hartree
295	RY(6)C28 s(31.95%)p0.04(1.28%)d2.09(66.77%)	0.000167825	1.327621278 Hartree
296	RY(7)C28 s(94.92%)p0.00(0.08%)d0.05(5.01%)	0.000094340	1.799475794 Hartree
297	RY(8)C28 s(0.94%)p6.79(6.41%)d98.06(92.64%)	0.000038695	4.024583378 Hartree
298	RY(9)C28 s(0.00%)p1.00(9.80%)d9.20(90.20%)	0.000002031	2.036668385 Hartree
299	RY(10)C28 s(4.34%)p0.10(0.44%)d21.92(95.21%)	0.000001971	1.582171258 Hartree
300	RY(1)C29 s(0.62%)p99.99(92.67%)d10.79(6.71%)	0.000000451	2.239034700 Hartree
301	RY(2)C29 s(1.30%)p73.38(95.65%)d2.34(3.05%)	0.004549910	1.109036350 Hartree
302	RY(3)C29 s(0.00%)p1.00(45.40%)d1.20(54.60%)	0.002055154	0.673206646 Hartree
303	RY(4)C29 s(0.00%)p1.00(48.95%)d1.04(51.05%)	0.000815900	1.197674734 Hartree
304	RY(5)C29 s(96.29%)p0.02(2.38%)d0.01(1.33%)	0.000512973	1.140179380 Hartree
305	RY(6)C29 s(3.58%)p1.03(3.70%)d25.91(92.72%)	0.000205857	0.936573285 Hartree
306	RY(7)C29 s(74.14%)p0.02(1.66%)d0.33(24.20%)	0.000089634	2.231706280 Hartree
307	RY(8)C29 s(0.00%)p1.00(5.69%)d16.59(94.31%)	0.000041157	3.504456503 Hartree
308	RY(9)C29 s(22.09%)p0.18(4.03%)d3.34(73.88%)	0.000009954	1.645926592 Hartree
309	RY(10)C29 s(2.06%)p0.02(0.04%)d47.51(97.90%)	0.000009323	2.573855405 Hartree
310	RY(1)H30 s(100.00%)	0.000001844	2.192602754 Hartree
311	RY(1)H31 s(100.00%)	0.000833615	0.476174224 Hartree
312	RY(1)H32 s(100.00%)	0.000659428	0.459933557 Hartree
313	RY(1)H33 s(100.00%)	0.000633992	0.463718184 Hartree
314	RY(1)H34 s(100.00%)	0.000659428	0.459933557 Hartree
315		0.000833615	0.476174225 Hartree

Natural Bond Orbitals

Display Range		- / 315
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	CR(1)C1	629	1.999994680	-10.486343563 Hartree
2	CR(1)C2	630	1.999995478	-10.365946966 Hartree
3	CR(1)C3	631	1.999996207	-10.346153974 Hartree
4	CR(1)C4	632	1.999996254	-10.328381051 Hartree
5	CR(1)C5	633	1.999996266	-10.323172243 Hartree
6	CR(1)C6	634	1.999996254	-10.328381051 Hartree
7	CR(1)C7	635	1.999996207	-10.346153975 Hartree
8	CR(1)C13	636	1.999995478	-10.365946966 Hartree
9	CR(1)C14	637	1.999996207	-10.346153974 Hartree
10	CR(1)C15	638	1.999996254	-10.328381051 Hartree
11	CR(1)C16	639	1.999996266	-10.323172243 Hartree
12	CR(1)C17	640	1.999996254	-10.328381051 Hartree
13	CR(1)C18	641	1.999996207	-10.346153975 Hartree
14	CR(1)C24	642	1.999995478	-10.365946966 Hartree
15	CR(1)C25	643	1.999996207	-10.346153974 Hartree
16	CR(1)C26	644	1.999996254	-10.328381051 Hartree
17	CR(1)C27	645	1.999996266	-10.323172243 Hartree
18	CR(1)C28	646	1.999996254	-10.328381051 Hartree
19	CR(1)C29	647	1.999996207	-10.346153975 Hartree
20	BD(1)C1-C2	648, 649	1.969085024	-0.767232887 Hartree
21	BD(1)C1-C13	650, 651	1.969085024	-0.767232887 Hartree
22	BD(1)C1-C24	652, 653	1.969085024	-0.767232887 Hartree
23	BD(1)C2-C3	654, 655	1.942326002	-0.737181417 Hartree
24	BD(2)C2-C3	656, 657	1.699814937	-0.397144430 Hartree
25	BD(1)C2-C7	658, 659	1.942326002	-0.737181417 Hartree
26	BD(1)C3-C4	660, 661	1.973916639	-0.723045226 Hartree
27	BD(1)C3-H12	662, 663	1.983163627	-0.633722330 Hartree
28	BD(1)C4-C5	664, 665	1.981728978	-0.715628255 Hartree
29	BD(2)C4-C5	666, 667	1.619435239	-0.370281288 Hartree
30	BD(1)C4-H11	668, 669	1.976658739	-0.609512667 Hartree
31	BD(1)C5-C6	670, 671	1.981728978	-0.715628256 Hartree
32	BD(1)C5-H10	672, 673	1.982060652	-0.605606405 Hartree
33	BD(1)C6-C7	674, 675	1.973916639	-0.723045227 Hartree
34	BD(2)C6-C7	676, 677	1.656074794	-0.381279921 Hartree
35	BD(1)C6-H9	678, 679	1.976658739	-0.609512668 Hartree
36	BD(1)C7-H8	680, 681	1.983163627	-0.633722331 Hartree
37	BD(1)C13-C14	682, 683	1.942326002	-0.737181417 Hartree
38	BD(2)C13-C14	684, 685	1.699814937	-0.397144430 Hartree
39	BD(1)C13-C18	686, 687	1.942326002	-0.737181417 Hartree
40	BD(1)C14-C15	688, 689	1.973916639	-0.723045226 Hartree
41	BD(1)C14-H23	690, 691	1.983163627	-0.633722330 Hartree
42	BD(1)C15-C16	692, 693	1.981728978	-0.715628255 Hartree
43	BD(2)C15-C16	694, 695	1.619435239	-0.370281288 Hartree
44	BD(1)C15-H22	696, 697	1.976658739	-0.609512667 Hartree
45	BD(1)C16-C17	698, 699	1.981728978	-0.715628256 Hartree
46	BD(1)C16-H21	700, 701	1.982060652	-0.605606405 Hartree
47	BD(1)C17-C18	702, 703	1.973916639	-0.723045227 Hartree
48	BD(2)C17-C18	704, 705	1.656074794	-0.381279921 Hartree
49	BD(1)C17-H20	706, 707	1.976658739	-0.609512668 Hartree
50	BD(1)C18-H19	708, 709	1.983163627	-0.633722331 Hartree
51	BD(1)C24-C25	710, 711	1.942326002	-0.737181417 Hartree
52	BD(2)C24-C25	712, 713	1.699814937	-0.397144430 Hartree
53	BD(1)C24-C29	714, 715	1.942326002	-0.737181417 Hartree
54	BD(1)C25-C26	716, 717	1.973916639	-0.723045226 Hartree
55	BD(1)C25-H34	718, 719	1.983163627	-0.633722330 Hartree
56	BD(1)C26-C27	720, 721	1.981728978	-0.715628255 Hartree
57	BD(2)C26-C27	722, 723	1.619435239	-0.370281288 Hartree
58	BD(1)C26-H33	724, 725	1.976658739	-0.609512667 Hartree
59	BD(1)C27-C28	726, 727	1.981728978	-0.715628256 Hartree
60	BD(1)C27-H32	728, 729	1.982060652	-0.605606405 Hartree
61	BD(1)C28-C29	730, 731	1.973916639	-0.723045227 Hartree
62	BD(2)C28-C29	732, 733	1.656074794	-0.381279921 Hartree
63	BD(1)C28-H31	734, 735	1.976658739	-0.609512668 Hartree
64	BD(1)C29-H30	736, 737	1.983163627	-0.633722331 Hartree
65	LV(1)C1	736, 737	0.275971681	-0.261905859 Hartree
66	BD*(1)C1-C2		0.037101564	0.293906261 Hartree
67	BD*(1)C1-C13		0.037101564	0.293906261 Hartree
68	BD*(1)C1-C24		0.037101564	0.293906261 Hartree
69	BD*(1)C2-C3		0.023530035	0.408783273 Hartree
70	BD*(2)C2-C3		0.401446919	-0.117113150 Hartree
71	BD*(1)C2-C7		0.023530035	0.408783271 Hartree
72	BD*(1)C3-C4		0.013089263	0.446884620 Hartree
73	BD*(1)C3-H12		0.011260248	0.337268972 Hartree
74	BD*(1)C4-C5		0.013705863	0.455224888 Hartree
75	BD*(2)C4-C5		0.293941972	-0.088002523 Hartree
76	BD*(1)C4-H11		0.010906647	0.364735306 Hartree
77	BD*(1)C5-C6		0.013705863	0.455224889 Hartree
78	BD*(1)C5-H10		0.011123537	0.371824236 Hartree
79	BD*(1)C6-C7		0.013089263	0.446884619 Hartree
80	BD*(2)C6-C7		0.316993014	-0.099265502 Hartree
81	BD*(1)C6-H9		0.010906647	0.364735306 Hartree
82	BD*(1)C7-H8		0.011260248	0.337268971 Hartree
83	BD*(1)C13-C14		0.023530035	0.408783273 Hartree
84	BD*(2)C13-C14		0.401446919	-0.117113150 Hartree
85	BD*(1)C13-C18		0.023530035	0.408783271 Hartree
86	BD*(1)C14-C15		0.013089263	0.446884620 Hartree
87	BD*(1)C14-H23		0.011260248	0.337268972 Hartree
88	BD*(1)C15-C16		0.013705863	0.455224888 Hartree
89	BD*(2)C15-C16		0.293941972	-0.088002523 Hartree
90	BD*(1)C15-H22		0.010906647	0.364735306 Hartree
91	BD*(1)C16-C17		0.013705863	0.455224889 Hartree
92	BD*(1)C16-H21		0.011123537	0.371824236 Hartree
93	BD*(1)C17-C18		0.013089263	0.446884619 Hartree
94	BD*(2)C17-C18		0.316993014	-0.099265502 Hartree
95	BD*(1)C17-H20		0.010906647	0.364735306 Hartree
96	BD*(1)C18-H19		0.011260248	0.337268971 Hartree
97	BD*(1)C24-C25		0.023530035	0.408783273 Hartree
98	BD*(2)C24-C25		0.401446919	-0.117113150 Hartree
99	BD*(1)C24-C29		0.023530035	0.408783271 Hartree
100	BD*(1)C25-C26		0.013089263	0.446884620 Hartree
101	BD*(1)C25-H34		0.011260248	0.337268972 Hartree
102	BD*(1)C26-C27		0.013705863	0.455224888 Hartree
103	BD*(2)C26-C27		0.293941972	-0.088002523 Hartree
104	BD*(1)C26-H33		0.010906647	0.364735306 Hartree
105	BD*(1)C27-C28		0.013705863	0.455224889 Hartree
106	BD*(1)C27-H32		0.011123537	0.371824236 Hartree
107	BD*(1)C28-C29		0.013089263	0.446884619 Hartree
108	BD*(2)C28-C29		0.316993014	-0.099265502 Hartree
109	BD*(1)C28-H31		0.010906647	0.364735306 Hartree
110	BD*(1)C29-H30		0.011260248	0.337268971 Hartree
111	RY(1)C1	738	0.001575149	1.316545308 Hartree
112	RY(2)C1	739	0.001575149	1.316545308 Hartree
113	RY(3)C1	740	0.000611652	0.610477312 Hartree
114	RY(4)C1	741	0.000585141	1.483552528 Hartree
115	RY(5)C1	742	0.000585141	1.483552528 Hartree
116	RY(6)C1	743	0.000460733	1.325425950 Hartree
117	RY(7)C1	744	0.000399468	1.903613675 Hartree
118	RY(8)C1	745	0.000399468	1.903613675 Hartree
119	RY(9)C1	746	0.000028767	3.646228728 Hartree
120	RY(10)C1	747	0.000018437	2.219192255 Hartree
121	RY(1)C2	748	0.004843121	1.207383321 Hartree
122	RY(2)C2	749	0.004201509	0.603709659 Hartree
123	RY(3)C2	750	0.001780990	0.894276063 Hartree
124	RY(4)C2	751	0.000933766	1.771244052 Hartree
125	RY(5)C2	752	0.000499903	1.296033716 Hartree
126	RY(6)C2	753	0.000158059	2.150939266 Hartree
127	RY(7)C2	754	0.000143501	1.870987557 Hartree
128	RY(8)C2	755	0.000065287	3.927428474 Hartree
129	RY(9)C2	756	0.000025989	2.324546873 Hartree
130	RY(10)C2	757	0.000010870	1.931602231 Hartree
131	RY(1)C3	758	0.004549910	1.109036350 Hartree
132	RY(2)C3	759	0.002055154	0.673206646 Hartree
133	RY(3)C3	760	0.000948883	1.157946351 Hartree
134	RY(4)C3	761	0.000471670	1.179706274 Hartree
135	RY(5)C3	762	0.000205857	0.936573286 Hartree
136	RY(6)C3	763	0.000089634	2.231706279 Hartree
137	RY(7)C3	764	0.000041157	3.504456506 Hartree
138	RY(8)C3	765	0.000009987	1.645305844 Hartree
139	RY(9)C3	766	0.000009323	2.573855403 Hartree
140	RY(10)C3	767	0.000001844	2.192602755 Hartree
141	RY(1)C4	768	0.004902480	1.139195910 Hartree
142	RY(2)C4	769	0.002424210	0.599287350 Hartree
143	RY(3)C4	770	0.000661198	1.554935994 Hartree
144	RY(4)C4	771	0.000344151	0.840249717 Hartree
145	RY(5)C4	772	0.000167825	1.327621280 Hartree
146	RY(6)C4	773	0.000094340	1.799475793 Hartree
147	RY(7)C4	774	0.000038695	4.024583375 Hartree
148	RY(8)C4	775	0.000002031	2.036668386 Hartree
149	RY(9)C4	776	0.000001971	1.582198960 Hartree
150	RY(10)C4	777	0.000000451	2.239034703 Hartree
151	RY(1)C5	778	0.004677387	1.148602420 Hartree
152	RY(2)C5	779	0.002198825	0.595291485 Hartree
153	RY(3)C5	780	0.000556440	1.803219232 Hartree
154	RY(4)C5	781	0.000347919	0.603155447 Hartree
155	RY(5)C5	782	0.000118963	2.226115263 Hartree
156	RY(6)C5	783	0.000092132	0.883288173 Hartree
157	RY(7)C5	784	0.000038531	4.053918275 Hartree
158	RY(8)C5	785	0.000003870	2.031244152 Hartree
159	RY(9)C5	786	0.000000471	1.582718536 Hartree
160	RY(10)C5	787	0.000000321	2.245392096 Hartree
161	RY(1)C6	788	0.004902480	1.139195909 Hartree
162	RY(2)C6	789	0.002424210	0.599287350 Hartree
163	RY(3)C6	790	0.000719323	1.455733086 Hartree
164	RY(4)C6	791	0.000323375	0.938844137 Hartree
165	RY(5)C6	792	0.000167825	1.327621279 Hartree
166	RY(6)C6	793	0.000094340	1.799475793 Hartree
167	RY(7)C6	794	0.000038695	4.024583378 Hartree
168	RY(8)C6	795	0.000002031	2.036668385 Hartree
169	RY(9)C6	796	0.000001971	1.582171258 Hartree
170	RY(10)C6	797	0.000000451	2.239034700 Hartree
171	RY(1)C7	798	0.004549910	1.109036350 Hartree
172	RY(2)C7	799	0.002055154	0.673206646 Hartree
173	RY(3)C7	800	0.000815900	1.197674734 Hartree
174	RY(4)C7	801	0.000512973	1.140179380 Hartree
175	RY(5)C7	802	0.000205857	0.936573285 Hartree
176	RY(6)C7	803	0.000089634	2.231706280 Hartree
177	RY(7)C7	804	0.000041157	3.504456504 Hartree
178	RY(8)C7	805	0.000009954	1.645926592 Hartree
179	RY(9)C7	806	0.000009323	2.573855404 Hartree
180	RY(10)C7	807	0.000001844	2.192602753 Hartree
181	RY(1)H8	808	0.000833615	0.476174224 Hartree
182	RY(1)H9	809	0.000659428	0.459933557 Hartree
183	RY(1)H10	810	0.000633992	0.463718184 Hartree
184	RY(1)H11	811	0.000659428	0.459933557 Hartree
185	RY(1)H12	812	0.000833615	0.476174225 Hartree
186	RY(1)C13	813	0.004843121	1.207383321 Hartree
187	RY(2)C13	814	0.004201509	0.603709659 Hartree
188	RY(3)C13	815	0.001780990	0.894276063 Hartree
189	RY(4)C13	816	0.000933766	1.771244052 Hartree
190	RY(5)C13	817	0.000499903	1.296033717 Hartree
191	RY(6)C13	818	0.000158059	2.150939266 Hartree
192	RY(7)C13	819	0.000143501	1.870987557 Hartree
193	RY(8)C13	820	0.000065287	3.927428475 Hartree
194	RY(9)C13	821	0.000025989	2.324546872 Hartree
195	RY(10)C13	822	0.000010870	1.931602231 Hartree
196	RY(1)C14	823	0.004549910	1.109036350 Hartree
197	RY(2)C14	824	0.002055154	0.673206646 Hartree
198	RY(3)C14	825	0.000948883	1.157946351 Hartree
199	RY(4)C14	826	0.000471670	1.179706274 Hartree
200	RY(5)C14	827	0.000205857	0.936573286 Hartree
201	RY(6)C14	828	0.000089634	2.231706279 Hartree
202	RY(7)C14	829	0.000041157	3.504456506 Hartree
203	RY(8)C14	830	0.000009987	1.645305844 Hartree
204	RY(9)C14	831	0.000009323	2.573855404 Hartree
205	RY(10)C14	832	0.000001844	2.192602754 Hartree
206	RY(1)C15	833	0.004902480	1.139195910 Hartree
207	RY(2)C15	834	0.002424210	0.599287350 Hartree
208	RY(3)C15	835	0.000661198	1.554935994 Hartree
209	RY(4)C15	836	0.000344151	0.840249717 Hartree
210	RY(5)C15	837	0.000167825	1.327621277 Hartree
211	RY(6)C15	838	0.000094340	1.799475795 Hartree
212	RY(7)C15	839	0.000038695	4.024583377 Hartree
213	RY(8)C15	840	0.000002031	2.036668387 Hartree
214	RY(9)C15	841	0.000001971	1.582198960 Hartree
215	RY(10)C15	842	0.000000451	2.239034700 Hartree
216	RY(1)C16	843	0.004677387	1.148602420 Hartree
217	RY(2)C16	844	0.002198825	0.595291485 Hartree
218	RY(3)C16	845	0.000556440	1.803219232 Hartree
219	RY(4)C16	846	0.000347919	0.603155447 Hartree
220	RY(5)C16	847	0.000118963	2.226115263 Hartree
221	RY(6)C16	848	0.000092132	0.883288173 Hartree
222	RY(7)C16	849	0.000038531	4.053918275 Hartree
223	RY(8)C16	850	0.000003870	2.031244152 Hartree
224	RY(9)C16	851	0.000000471	1.582718536 Hartree
225	RY(10)C16	852	0.000000321	2.245392096 Hartree
226	RY(1)C17	853	0.004902480	1.139195909 Hartree
227	RY(2)C17	854	0.002424210	0.599287350 Hartree
228	RY(3)C17	855	0.000719323	1.455733086 Hartree
229	RY(4)C17	856	0.000323375	0.938844137 Hartree
230	RY(5)C17	857	0.000167825	1.327621278 Hartree
231	RY(6)C17	858	0.000094340	1.799475794 Hartree
232	RY(7)C17	859	0.000038695	4.024583378 Hartree
233	RY(8)C17	860	0.000002031	2.036668384 Hartree
234	RY(9)C17	861	0.000001971	1.582171258 Hartree
235	RY(10)C17	862	0.000000451	2.239034701 Hartree
236	RY(1)C18	863	0.004549910	1.109036350 Hartree
237	RY(2)C18	864	0.002055154	0.673206646 Hartree
238	RY(3)C18	865	0.000815900	1.197674734 Hartree
239	RY(4)C18	866	0.000512973	1.140179380 Hartree
240	RY(5)C18	867	0.000205857	0.936573285 Hartree
241	RY(6)C18	868	0.000089634	2.231706280 Hartree
242	RY(7)C18	869	0.000041157	3.504456507 Hartree
243	RY(8)C18	870	0.000009954	1.645926592 Hartree
244	RY(9)C18	871	0.000009323	2.573855401 Hartree
245	RY(10)C18	872	0.000001844	2.192602753 Hartree
246	RY(1)H19	873	0.000833615	0.476174224 Hartree
247	RY(1)H20	874	0.000659428	0.459933557 Hartree
248	RY(1)H21	875	0.000633992	0.463718184 Hartree
249	RY(1)H22	876	0.000659428	0.459933557 Hartree
250	RY(1)H23	877	0.000833615	0.476174225 Hartree
251	RY(1)C24	878	0.004843121	1.207383321 Hartree
252	RY(2)C24	879	0.004201509	0.603709659 Hartree
253	RY(3)C24	880	0.001780990	0.894276063 Hartree
254	RY(4)C24	881	0.000933766	1.771244052 Hartree
255	RY(5)C24	882	0.000499903	1.296033717 Hartree
256	RY(6)C24	883	0.000158059	2.150939266 Hartree
257	RY(7)C24	884	0.000143501	1.870987557 Hartree
258	RY(8)C24	885	0.000065287	3.927428475 Hartree
259	RY(9)C24	886	0.000025989	2.324546873 Hartree
260	RY(10)C24	887	0.000010870	1.931602231 Hartree
261	RY(1)C25	888	0.004549910	1.109036350 Hartree
262	RY(2)C25	889	0.002055154	0.673206646 Hartree
263	RY(3)C25	890	0.000948883	1.157946351 Hartree
264	RY(4)C25	891	0.000471670	1.179706274 Hartree
265	RY(5)C25	892	0.000205857	0.936573286 Hartree
266	RY(6)C25	893	0.000089634	2.231706279 Hartree
267	RY(7)C25	894	0.000041157	3.504456510 Hartree
268	RY(8)C25	895	0.000009987	1.645305844 Hartree
269	RY(9)C25	896	0.000009323	2.573855400 Hartree
270	RY(10)C25	897	0.000001844	2.192602753 Hartree
271	RY(1)C26	898	0.004902480	1.139195910 Hartree
272	RY(2)C26	899	0.002424210	0.599287350 Hartree
273	RY(3)C26	900	0.000661198	1.554935994 Hartree
274	RY(4)C26	901	0.000344151	0.840249717 Hartree
275	RY(5)C26	902	0.000167825	1.327621277 Hartree
276	RY(6)C26	903	0.000094340	1.799475795 Hartree
277	RY(7)C26	904	0.000038695	4.024583378 Hartree
278	RY(8)C26	905	0.000002031	2.036668387 Hartree
279	RY(9)C26	906	0.000001971	1.582198960 Hartree
280	RY(10)C26	907	0.000000451	2.239034700 Hartree
281	RY(1)C27	908	0.004677387	1.148602420 Hartree
282	RY(2)C27	909	0.002198825	0.595291485 Hartree
283	RY(3)C27	910	0.000556440	1.803219232 Hartree
284	RY(4)C27	911	0.000347919	0.603155447 Hartree
285	RY(5)C27	912	0.000118963	2.226115263 Hartree
286	RY(6)C27	913	0.000092132	0.883288173 Hartree
287	RY(7)C27	914	0.000038531	4.053918276 Hartree
288	RY(8)C27	915	0.000003870	2.031244152 Hartree
289	RY(9)C27	916	0.000000471	1.582718536 Hartree
290	RY(10)C27	917	0.000000321	2.245392096 Hartree
291	RY(1)C28	918	0.004902480	1.139195909 Hartree
292	RY(2)C28	919	0.002424210	0.599287350 Hartree
293	RY(3)C28	920	0.000719323	1.455733086 Hartree
294	RY(4)C28	921	0.000323375	0.938844137 Hartree
295	RY(5)C28	922	0.000167825	1.327621278 Hartree
296	RY(6)C28	923	0.000094340	1.799475794 Hartree
297	RY(7)C28	924	0.000038695	4.024583378 Hartree
298	RY(8)C28	925	0.000002031	2.036668385 Hartree
299	RY(9)C28	926	0.000001971	1.582171258 Hartree
300	RY(10)C28	927	0.000000451	2.239034700 Hartree
301	RY(1)C29	928	0.004549910	1.109036350 Hartree
302	RY(2)C29	929	0.002055154	0.673206646 Hartree
303	RY(3)C29	930	0.000815900	1.197674734 Hartree
304	RY(4)C29	931	0.000512973	1.140179380 Hartree
305	RY(5)C29	932	0.000205857	0.936573285 Hartree
306	RY(6)C29	933	0.000089634	2.231706280 Hartree
307	RY(7)C29	934	0.000041157	3.504456503 Hartree
308	RY(8)C29	935	0.000009954	1.645926592 Hartree
309	RY(9)C29	936	0.000009323	2.573855405 Hartree
310	RY(10)C29	937	0.000001844	2.192602754 Hartree
311	RY(1)H30	938	0.000833615	0.476174224 Hartree
312	RY(1)H31	939	0.000659428	0.459933557 Hartree
313	RY(1)H32	940	0.000633992	0.463718184 Hartree
314	RY(1)H33	941	0.000659428	0.459933557 Hartree
315	RY(1)H34	942	0.000833615	0.476174225 Hartree

Quote

WORK FAITHFULLY FOR EIGHT HOURS A DAY AND DON'T WORRY. IN TIME YOU MAY BECOME BOSS AND WORK TWELVE HOURS A DAY AND HAVE ALL THE WORRY.