WebMO Job Summary

Overview

Quantity	Value
Route	#N MP2/6-311+G(2d,p) SP GFINPUT POP=(FULL,NBO6Read) Geom=Connectivity
Stoichiometry	C₅H₁₁Cl
Symmetry	C1
Basis	6-311+G(2d,p)
RHF Energy	-655.321698178 Hartree
MP2 Energy	-656.28305418393 Hartree
Dipole Moment	2.4776 Debye
Server	batch (115746)
CPU time	426 sec

Rotational Constants

Constant	Frequency (GHz)	Frequency (cm^-1)
a	3.0566766	0.10195975644
b	2.3970747	0.07995780534
c	1.9326791	0.06446723553

Partial Charges

Atom	Symbol	Charge
1	C	-0.745838
2	C	1.418828
3	C	-0.225976
4	C	-0.622852
5	H	0.121797
6	H	0.148080
7	H	0.114120
8	H	0.111050
9	H	0.112875
10	C	-0.733484
11	H	0.132909
12	H	0.132554
13	H	0.130124
14	Cl	-0.504259
15	H	0.138064
16	H	0.132989
17	H	0.139018

Molecular Orbitals

Display Range		- / 236
Orbital	Symmetry	Occupancy	Energy	Actions
1	-	2	-104.80559 Hartree
2	-	2	-11.30197 Hartree
3	-	2	-11.23312 Hartree
4	-	2	-11.22700 Hartree
5	-	2	-11.22683 Hartree
6	-	2	-11.21580 Hartree
7	-	2	-10.53248 Hartree
8	-	2	-8.00058 Hartree
9	-	2	-7.99801 Hartree
10	-	2	-7.99799 Hartree
11	-	2	-1.15936 Hartree
12	-	2	-1.03708 Hartree
13	-	2	-1.00213 Hartree
14	-	2	-0.95261 Hartree
15	-	2	-0.86936 Hartree
16	-	2	-0.74347 Hartree
17	-	2	-0.64343 Hartree
18	-	2	-0.63636 Hartree
19	-	2	-0.60771 Hartree
20	-	2	-0.59136 Hartree
21	-	2	-0.56073 Hartree
22	-	2	-0.54525 Hartree
23	-	2	-0.52230 Hartree
24	-	2	-0.51026 Hartree
25	-	2	-0.48647 Hartree
26	-	2	-0.48195 Hartree
27	-	2	-0.47015 Hartree
28	-	2	-0.42307 Hartree
29	-	2	-0.42215 Hartree
30	-	0	0.06705 Hartree
31	-	0	0.07799 Hartree
32	-	0	0.08249 Hartree
33	-	0	0.09018 Hartree
34	-	0	0.10598 Hartree
35	-	0	0.10936 Hartree
36	-	0	0.11230 Hartree
37	-	0	0.12176 Hartree
38	-	0	0.12549 Hartree
39	-	0	0.13630 Hartree
40	-	0	0.14129 Hartree
41	-	0	0.15278 Hartree
42	-	0	0.15869 Hartree
43	-	0	0.16764 Hartree
44	-	0	0.17280 Hartree
45	-	0	0.17812 Hartree
46	-	0	0.19796 Hartree
47	-	0	0.20525 Hartree
48	-	0	0.22335 Hartree
49	-	0	0.23566 Hartree
50	-	0	0.24987 Hartree
51	-	0	0.25460 Hartree
52	-	0	0.26578 Hartree
53	-	0	0.28831 Hartree
54	-	0	0.30323 Hartree
55	-	0	0.31157 Hartree
56	-	0	0.32075 Hartree
57	-	0	0.32806 Hartree
58	-	0	0.33735 Hartree
59	-	0	0.34814 Hartree
60	-	0	0.35244 Hartree
61	-	0	0.36593 Hartree
62	-	0	0.37058 Hartree
63	-	0	0.37767 Hartree
64	-	0	0.38999 Hartree
65	-	0	0.40162 Hartree
66	-	0	0.40900 Hartree
67	-	0	0.42096 Hartree
68	-	0	0.43035 Hartree
69	-	0	0.50019 Hartree
70	-	0	0.51587 Hartree
71	-	0	0.51929 Hartree
72	-	0	0.54502 Hartree
73	-	0	0.56154 Hartree
74	-	0	0.56354 Hartree
75	-	0	0.58768 Hartree
76	-	0	0.60316 Hartree
77	-	0	0.61300 Hartree
78	-	0	0.62816 Hartree
79	-	0	0.64082 Hartree
80	-	0	0.65750 Hartree
81	-	0	0.66817 Hartree
82	-	0	0.68889 Hartree
83	-	0	0.70265 Hartree
84	-	0	0.70675 Hartree
85	-	0	0.72906 Hartree
86	-	0	0.74485 Hartree
87	-	0	0.76084 Hartree
88	-	0	0.76961 Hartree
89	-	0	0.79236 Hartree
90	-	0	0.80364 Hartree
91	-	0	0.81366 Hartree
92	-	0	0.83468 Hartree
93	-	0	0.83931 Hartree
94	-	0	0.84108 Hartree
95	-	0	0.85038 Hartree
96	-	0	0.86715 Hartree
97	-	0	0.88146 Hartree
98	-	0	0.90175 Hartree
99	-	0	0.93385 Hartree
100	-	0	0.94589 Hartree
101	-	0	0.94792 Hartree
102	-	0	0.95536 Hartree
103	-	0	0.98998 Hartree
104	-	0	1.01308 Hartree
105	-	0	1.03967 Hartree
106	-	0	1.04973 Hartree
107	-	0	1.08443 Hartree
108	-	0	1.09649 Hartree
109	-	0	1.10438 Hartree
110	-	0	1.12663 Hartree
111	-	0	1.17479 Hartree
112	-	0	1.20721 Hartree
113	-	0	1.22574 Hartree
114	-	0	1.26560 Hartree
115	-	0	1.28619 Hartree
116	-	0	1.30791 Hartree
117	-	0	1.33043 Hartree
118	-	0	1.33949 Hartree
119	-	0	1.34984 Hartree
120	-	0	1.41121 Hartree
121	-	0	1.42451 Hartree
122	-	0	1.45659 Hartree
123	-	0	1.46528 Hartree
124	-	0	1.49318 Hartree
125	-	0	1.51130 Hartree
126	-	0	1.53525 Hartree
127	-	0	1.55338 Hartree
128	-	0	1.56053 Hartree
129	-	0	1.58699 Hartree
130	-	0	1.64724 Hartree
131	-	0	1.68995 Hartree
132	-	0	1.69822 Hartree
133	-	0	1.71830 Hartree
134	-	0	1.74463 Hartree
135	-	0	1.77076 Hartree
136	-	0	1.77638 Hartree
137	-	0	1.78046 Hartree
138	-	0	1.98118 Hartree
139	-	0	2.00583 Hartree
140	-	0	2.05030 Hartree
141	-	0	2.07641 Hartree
142	-	0	2.08678 Hartree
143	-	0	2.12749 Hartree
144	-	0	2.14078 Hartree
145	-	0	2.20437 Hartree
146	-	0	2.21927 Hartree
147	-	0	2.25615 Hartree
148	-	0	2.32255 Hartree
149	-	0	2.43130 Hartree
150	-	0	2.48913 Hartree
151	-	0	2.51172 Hartree
152	-	0	2.54005 Hartree
153	-	0	2.55444 Hartree
154	-	0	2.57619 Hartree
155	-	0	2.59751 Hartree
156	-	0	2.60913 Hartree
157	-	0	2.63635 Hartree
158	-	0	2.64628 Hartree
159	-	0	2.66424 Hartree
160	-	0	2.67841 Hartree
161	-	0	2.68881 Hartree
162	-	0	2.69215 Hartree
163	-	0	2.70572 Hartree
164	-	0	2.71870 Hartree
165	-	0	2.72889 Hartree
166	-	0	2.74594 Hartree
167	-	0	2.76592 Hartree
168	-	0	2.78310 Hartree
169	-	0	2.80448 Hartree
170	-	0	2.85872 Hartree
171	-	0	2.87170 Hartree
172	-	0	2.89408 Hartree
173	-	0	2.92949 Hartree
174	-	0	2.96143 Hartree
175	-	0	2.98901 Hartree
176	-	0	3.01565 Hartree
177	-	0	3.03170 Hartree
178	-	0	3.05434 Hartree
179	-	0	3.08292 Hartree
180	-	0	3.11483 Hartree
181	-	0	3.11745 Hartree
182	-	0	3.16969 Hartree
183	-	0	3.20916 Hartree
184	-	0	3.22099 Hartree
185	-	0	3.23643 Hartree
186	-	0	3.26180 Hartree
187	-	0	3.37687 Hartree
188	-	0	3.53255 Hartree
189	-	0	3.54363 Hartree
190	-	0	3.59993 Hartree
191	-	0	3.61274 Hartree
192	-	0	3.62289 Hartree
193	-	0	3.65646 Hartree
194	-	0	3.66908 Hartree
195	-	0	3.71970 Hartree
196	-	0	3.73835 Hartree
197	-	0	3.77704 Hartree
198	-	0	3.79043 Hartree
199	-	0	3.83816 Hartree
200	-	0	3.86305 Hartree
201	-	0	3.91556 Hartree
202	-	0	3.92586 Hartree
203	-	0	3.93295 Hartree
204	-	0	3.93805 Hartree
205	-	0	3.96372 Hartree
206	-	0	3.97511 Hartree
207	-	0	4.02369 Hartree
208	-	0	4.03644 Hartree
209	-	0	4.04308 Hartree
210	-	0	4.11488 Hartree
211	-	0	4.12166 Hartree
212	-	0	4.15018 Hartree
213	-	0	4.17794 Hartree
214	-	0	4.20416 Hartree
215	-	0	4.29362 Hartree
216	-	0	4.45024 Hartree
217	-	0	4.59508 Hartree
218	-	0	4.60902 Hartree
219	-	0	4.63360 Hartree
220	-	0	4.63991 Hartree
221	-	0	4.66308 Hartree
222	-	0	4.68584 Hartree
223	-	0	4.75713 Hartree
224	-	0	4.86136 Hartree
225	-	0	4.95124 Hartree
226	-	0	5.00423 Hartree
227	-	0	10.61366 Hartree
228	-	0	24.84449 Hartree
229	-	0	25.08808 Hartree
230	-	0	25.14160 Hartree
231	-	0	25.18487 Hartree
232	-	0	25.24617 Hartree
233	-	0	26.97286 Hartree
234	-	0	27.06904 Hartree
235	-	0	28.30663 Hartree
236	-	0	219.48905 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom	Symbol	Charge
1	C	-0.50988
2	C	0.01985
3	C	-0.35138
4	C	-0.50499
5	H	0.17836
6	H	0.18820
7	H	0.16861
8	H	0.17175
9	H	0.18182
10	C	-0.51929
11	H	0.19146
12	H	0.18785
13	H	0.17712
14	Cl	-0.13311
15	H	0.18799
16	H	0.17704
17	H	0.18857

Natural Atomic Orbitals

Display Range		- / 236
Orbital	Description	Occupancy	Energy	Actions
1		1.999999852	********** Hartree
2		1.070753219	********** Hartree
3		0.000619358	********** Hartree
4		0.000085646	********** Hartree
5		0.000009505	********** Hartree
6		1.128315630	********** Hartree
7		0.002609896	********** Hartree
8		0.000128073	********** Hartree
9		0.000035984	********** Hartree
10		1.133330467	********** Hartree
11		0.002318917	********** Hartree
12		0.000070213	********** Hartree
13		0.000068767	********** Hartree
14		1.156645054	********** Hartree
15		0.003347529	********** Hartree
16		0.000103544	********** Hartree
17		0.000026898	********** Hartree
18		0.002274038	********** Hartree
19		0.000056891	********** Hartree
20		0.002499180	********** Hartree
21		0.000032056	********** Hartree
22		0.001598990	********** Hartree
23		0.000058239	********** Hartree
24		0.002247714	********** Hartree
25		0.000100489	********** Hartree
26		0.002439556	********** Hartree
27		0.000103177	********** Hartree
28		1.999998445	********** Hartree
29		0.979097269	********** Hartree
30		0.001801170	********** Hartree
31		0.000482778	********** Hartree
32		0.000003806	********** Hartree
33		1.044729272	********** Hartree
34		0.004994920	********** Hartree
35		0.000523338	********** Hartree
36		0.000094836	********** Hartree
37		0.860260506	********** Hartree
38		0.004697673	********** Hartree
39		0.000510875	********** Hartree
40		0.000091626	********** Hartree
41		1.064825607	********** Hartree
42		0.005709510	********** Hartree
43		0.000394121	********** Hartree
44		0.000028501	********** Hartree
45		0.002335999	********** Hartree
46		0.000165494	********** Hartree
47		0.001601715	********** Hartree
48		0.000286886	********** Hartree
49		0.001580551	********** Hartree
50		0.000156770	********** Hartree
51		0.003085133	********** Hartree
52		0.000132177	********** Hartree
53		0.002315476	********** Hartree
54		0.000249129	********** Hartree
55		1.999999838	********** Hartree
56		1.014773761	********** Hartree
57		0.001839316	********** Hartree
58		0.000253461	********** Hartree
59		0.000017660	********** Hartree
60		1.038726512	********** Hartree
61		0.002828667	********** Hartree
62		0.000477770	********** Hartree
63		0.000125736	********** Hartree
64		1.143429274	********** Hartree
65		0.004057032	********** Hartree
66		0.000096145	********** Hartree
67		0.000062309	********** Hartree
68		1.129829840	********** Hartree
69		0.003247150	********** Hartree
70		0.000189083	********** Hartree
71		0.000072300	********** Hartree
72		0.001097679	********** Hartree
73		0.000169435	********** Hartree
74		0.002649945	********** Hartree
75		0.000131082	********** Hartree
76		0.001593325	********** Hartree
77		0.000106526	********** Hartree
78		0.003207634	********** Hartree
79		0.000176414	********** Hartree
80		0.001995958	********** Hartree
81		0.000223430	********** Hartree
82		1.999999855	********** Hartree
83		1.079679446	********** Hartree
84		0.000532001	********** Hartree
85		0.000092637	********** Hartree
86		0.000001076	********** Hartree
87		1.109867606	********** Hartree
88		0.002292398	********** Hartree
89		0.000163071	********** Hartree
90		0.000048197	********** Hartree
91		1.154463841	********** Hartree
92		0.000837657	********** Hartree
93		0.000057342	********** Hartree
94		0.000032459	********** Hartree
95		1.146073487	********** Hartree
96		0.001555174	********** Hartree
97		0.000039502	********** Hartree
98		0.000039436	********** Hartree
99		0.001431970	********** Hartree
100		0.000030288	********** Hartree
101		0.002355651	********** Hartree
102		0.000054535	********** Hartree
103		0.001569658	********** Hartree
104		0.000035798	********** Hartree
105		0.002034919	********** Hartree
106		0.000066344	********** Hartree
107		0.001598116	********** Hartree
108		0.000038709	********** Hartree
109		0.820015515	********** Hartree
110		0.000763953	********** Hartree
111		0.000027342	********** Hartree
112		0.000567855	********** Hartree
113		0.000017454	********** Hartree
114		0.000243322	********** Hartree
115		0.809948642	********** Hartree
116		0.000755928	********** Hartree
117		0.000065182	********** Hartree
118		0.000074429	********** Hartree
119		0.000926399	********** Hartree
120		0.000025689	********** Hartree
121		0.829647708	********** Hartree
122		0.000774929	********** Hartree
123		0.000030978	********** Hartree
124		0.000086984	********** Hartree
125		0.000144842	********** Hartree
126		0.000700538	********** Hartree
127		0.825780165	********** Hartree
128		0.001184065	********** Hartree
129		0.000059333	********** Hartree
130		0.000156544	********** Hartree
131		0.001026682	********** Hartree
132		0.000044611	********** Hartree
133		0.816028197	********** Hartree
134		0.000976470	********** Hartree
135		0.000058145	********** Hartree
136		0.000052951	********** Hartree
137		0.000146405	********** Hartree
138		0.000916621	********** Hartree
139		1.999999845	********** Hartree
140		1.070896438	********** Hartree
141		0.000814322	********** Hartree
142		0.000075806	********** Hartree
143		0.000006882	********** Hartree
144		1.188423176	********** Hartree
145		0.003379622	********** Hartree
146		0.000082812	********** Hartree
147		0.000008550	********** Hartree
148		1.161288873	********** Hartree
149		0.002759999	********** Hartree
150		0.000036903	********** Hartree
151		0.000046989	********** Hartree
152		1.077040586	********** Hartree
153		0.002039099	********** Hartree
154		0.000205158	********** Hartree
155		0.000080187	********** Hartree
156		0.002304930	********** Hartree
157		0.000028351	********** Hartree
158		0.001347386	********** Hartree
159		0.000172152	********** Hartree
160		0.001558303	********** Hartree
161		0.000107589	********** Hartree
162		0.002915231	********** Hartree
163		0.000029408	********** Hartree
164		0.003603304	********** Hartree
165		0.000033279	********** Hartree
166		0.807321886	********** Hartree
167		0.000435370	********** Hartree
168		0.000044754	********** Hartree
169		0.000241356	********** Hartree
170		0.000252850	********** Hartree
171		0.000240880	********** Hartree
172		0.810660217	********** Hartree
173		0.000596217	********** Hartree
174		0.000069551	********** Hartree
175		0.000628058	********** Hartree
176		0.000011649	********** Hartree
177		0.000180821	********** Hartree
178		0.821172375	********** Hartree
179		0.000720317	********** Hartree
180		0.000070183	********** Hartree
181		0.000106627	********** Hartree
182		0.000767688	********** Hartree
183		0.000039627	********** Hartree
184		1.999999999	********** Hartree
185		1.999994382	********** Hartree
186		1.849618692	********** Hartree
187		0.000735790	********** Hartree
188		0.000019814	********** Hartree
189		0.000006362	********** Hartree
190		0.000000005	********** Hartree
191		1.999998861	********** Hartree
192		1.910606171	********** Hartree
193		0.001624936	********** Hartree
194		0.000065624	********** Hartree
195		0.000003528	********** Hartree
196		0.000000300	********** Hartree
197		1.999997852	********** Hartree
198		1.375570814	********** Hartree
199		0.002512962	********** Hartree
200		0.000120505	********** Hartree
201		0.000012505	********** Hartree
202		0.000000876	********** Hartree
203		1.999999005	********** Hartree
204		1.977210198	********** Hartree
205		0.001483363	********** Hartree
206		0.000067487	********** Hartree
207		0.000001662	********** Hartree
208		0.000000332	********** Hartree
209		0.003592400	********** Hartree
210		0.000025941	********** Hartree
211		0.000217230	********** Hartree
212		0.000008932	********** Hartree
213		0.000868025	********** Hartree
214		0.000032012	********** Hartree
215		0.005738349	********** Hartree
216		0.000019024	********** Hartree
217		0.002945935	********** Hartree
218		0.000009072	********** Hartree
219		0.810526597	********** Hartree
220		0.000538303	********** Hartree
221		0.000067930	********** Hartree
222		0.000033265	********** Hartree
223		0.000086382	********** Hartree
224		0.000761968	********** Hartree
225		0.821048518	********** Hartree
226		0.000846192	********** Hartree
227		0.000073453	********** Hartree
228		0.000054192	********** Hartree
229		0.000913993	********** Hartree
230		0.000019028	********** Hartree
231		0.809868994	********** Hartree
232		0.000655537	********** Hartree
233		0.000069622	********** Hartree
234		0.000686526	********** Hartree
235		0.000019497	********** Hartree
236		0.000126656	********** Hartree

Natural Hybrid Orbitals

Display Range		- / 236
Orbital	Description	Occupancy	Energy	Actions
1	CR(1)C1 s(100.00%)	1.999999852	********** Hartree
2	CR(1)C2 s(100.00%)	1.999998445	********** Hartree
3	CR(1)C3 s(100.00%)	1.999999838	********** Hartree
4	CR(1)C4 s(100.00%)	1.999999855	********** Hartree
5	CR(1)C10 s(100.00%)	1.999999845	********** Hartree
6	CR(1)Cl14 s(100.00%)	1.999999999	********** Hartree
7	CR(2)Cl14 s(100.00%)	1.999994382	********** Hartree
8	CR(3)Cl14 s(0.00%)p1.00(100.00%)	1.999998861	********** Hartree
9	CR(4)Cl14 s(0.00%)p1.00(100.00%)	1.999997852	********** Hartree
10	CR(5)Cl14 s(0.00%)p1.00(100.00%)	1.999999005	********** Hartree
11	LP(1)Cl14 s(82.30%)p0.21(17.64%)d0.00(0.06%)	1.993764700	********** Hartree
12	LP(2)Cl14 s(0.04%)p99.99(99.95%)d0.32(0.01%)	1.977805244	********** Hartree
13	LP(3)Cl14 s(0.02%)p99.99(99.96%)d0.57(0.01%)	1.977223485	********** Hartree
14	BD(1)C1(C2) 1s(31.18%)p2.20(68.51%)d0.01(0.31%)	0.966458153	********** Hartree
15	BD(1)C2(C1) 2s(28.16%)p2.55(71.67%)d0.01(0.16%)	1.038046766	********** Hartree
16	BD(1)C1(H15) 1s(23.10%)p3.32(76.69%)d0.01(0.21%)	1.183397906	********** Hartree
17	BD(1)H15(C1) 15s(99.90%)p0.00(0.10%)	0.811326788	********** Hartree
18	BD(1)C1(H16) 1s(22.55%)p3.42(77.22%)d0.01(0.22%)	1.167833716	********** Hartree
19	BD(1)H16(C1) 16s(99.89%)p0.00(0.11%)	0.821966444	********** Hartree
20	BD(1)C1(H17) 1s(23.11%)p3.32(76.68%)d0.01(0.21%)	1.184258955	********** Hartree
21	BD(1)H17(C1) 17s(99.91%)p0.00(0.09%)	0.810619112	********** Hartree
22	BD(1)C2(C3) 2s(28.76%)p2.47(71.06%)d0.01(0.17%)	1.031985239	********** Hartree
23	BD(1)C3(C2) 3s(29.39%)p2.39(70.31%)d0.01(0.30%)	0.979658499	********** Hartree
24	BD(1)C2(C10) 2s(28.13%)p2.55(71.71%)d0.01(0.16%)	1.035435259	********** Hartree
25	BD(1)C10(C2) 10s(31.12%)p2.20(68.53%)d0.01(0.35%)	0.973730299	********** Hartree
26	BD(1)C2(Cl14) 2s(15.11%)p5.59(84.46%)d0.03(0.42%)	0.853183466	********** Hartree
27	BD(1)Cl14(C2) 14s(17.66%)p4.61(81.49%)d0.05(0.85%)	1.178946383	********** Hartree
28	BD(1)C3(C4) 3s(28.41%)p2.51(71.38%)d0.01(0.21%)	1.021834000	********** Hartree
29	BD(1)C4(C3) 4s(30.09%)p2.32(69.68%)d0.01(0.23%)	0.974183078	********** Hartree
30	BD(1)C3(H8) 3s(20.80%)p3.80(78.98%)d0.01(0.22%)	1.160998384	********** Hartree
31	BD(1)H8(C3) 8s(99.87%)p0.00(0.13%)	0.826893430	********** Hartree
32	BD(1)C3(H9) 3s(21.41%)p3.66(78.40%)d0.01(0.19%)	1.177186495	********** Hartree
33	BD(1)H9(C3) 9s(99.88%)p0.00(0.12%)	0.817022148	********** Hartree
34	BD(1)C4(H5) 4s(23.01%)p3.34(76.79%)d0.01(0.19%)	1.173585887	********** Hartree
35	BD(1)H5(C4) 5s(99.91%)p0.00(0.09%)	0.820757644	********** Hartree
36	BD(1)C4(H6) 4s(23.62%)p3.23(76.20%)d0.01(0.18%)	1.186442352	********** Hartree
37	BD(1)H6(C4) 6s(99.88%)p0.00(0.12%)	0.810916669	********** Hartree
38	BD(1)C4(H7) 4s(23.26%)p3.29(76.55%)d0.01(0.19%)	1.166497555	********** Hartree
39	BD(1)H7(C4) 7s(99.90%)p0.00(0.10%)	0.830511588	********** Hartree
40	BD(1)C10(H11) 10s(23.30%)p3.28(76.49%)d0.01(0.22%)	1.186357700	********** Hartree
41	BD(1)H11(C10) 11s(99.92%)p0.00(0.08%)	0.807963347	********** Hartree
42	BD(1)C10(H12) 10s(23.02%)p3.33(76.76%)d0.01(0.22%)	1.183811344	********** Hartree
43	BD(1)H12(C10) 12s(99.91%)p0.00(0.09%)	0.811395180	********** Hartree
44	BD(1)C10(H13) 10s(22.50%)p3.43(77.26%)d0.01(0.23%)	1.167231089	********** Hartree
45	BD(1)H13(C10) 13s(99.90%)p0.00(0.10%)	0.822014670	********** Hartree
46	RY(1)C1 s(0.72%)p99.99(95.41%)d5.39(3.87%)	0.003721948	********** Hartree
47	RY(2)C1 s(0.22%)p99.99(95.19%)d20.51(4.59%)	0.002771486	********** Hartree
48	RY(3)C1 s(53.01%)p0.59(31.49%)d0.29(15.51%)	0.000715946	********** Hartree
49	RY(4)C1 s(23.59%)p0.79(18.74%)d2.44(57.67%)	0.000239810	********** Hartree
50	RY(5)C1 s(16.07%)p0.58(9.28%)d4.64(74.65%)	0.000142014	********** Hartree
51	RY(6)C1 s(4.58%)p1.39(6.38%)d19.45(89.04%)	0.000122306	********** Hartree
52	RY(7)C1 s(6.62%)p10.46(69.21%)d3.65(24.18%)	0.000090228	********** Hartree
53	RY(8)C1 s(7.28%)p8.40(61.15%)d4.34(31.57%)	0.000045647	********** Hartree
54	RY(9)C1 s(21.03%)p1.03(21.63%)d2.73(57.34%)	0.000038082	********** Hartree
55	RY(10)C1 s(15.82%)p3.56(56.29%)d1.76(27.89%)	0.000018801	********** Hartree
56	RY(11)C1 s(11.46%)p3.87(44.33%)d3.86(44.22%)	0.000014796	********** Hartree
57	RY(12)C1 s(26.41%)p0.92(24.40%)d1.86(49.19%)	0.000004634	********** Hartree
58	RY(13)C1 s(23.63%)p1.45(34.30%)d1.78(42.07%)	0.000002823	********** Hartree
59	RY(14)C1 s(37.79%)p0.54(20.34%)d1.11(41.87%)	0.000000000	********** Hartree
60	RY(15)C1 s(3.33%)p11.59(38.64%)d17.40(58.02%)	0.000000955	********** Hartree
61	RY(16)C1 s(2.85%)p7.41(21.14%)d26.65(76.00%)	0.000000777	********** Hartree
62	RY(17)C1 s(6.62%)p4.78(31.63%)d9.32(61.75%)	0.000000001	********** Hartree
63	RY(18)C1 s(3.38%)p4.62(15.59%)d24.00(81.04%)	0.000000008	********** Hartree
64	RY(19)C1 s(13.63%)p0.85(11.61%)d5.49(74.76%)	0.000000019	********** Hartree
65	RY(20)C1 s(8.82%)p5.50(48.52%)d4.83(42.65%)	0.000000000	********** Hartree
66	RY(21)C1 s(10.44%)p7.44(77.68%)d1.14(11.88%)	0.000000016	********** Hartree
67	RY(22)C1 s(2.75%)p24.73(67.96%)d10.66(29.30%)	0.000000004	********** Hartree
68	RY(1)C2 s(1.17%)p79.98(93.18%)d4.85(5.65%)	0.006735229	********** Hartree
69	RY(2)C2 s(0.02%)p99.99(87.42%)d99.99(12.56%)	0.005387594	********** Hartree
70	RY(3)C2 s(3.62%)p24.96(90.44%)d1.64(5.93%)	0.004064662	********** Hartree
71	RY(4)C2 s(14.25%)p2.21(31.55%)d3.80(54.20%)	0.001653152	********** Hartree
72	RY(5)C2 s(4.45%)p2.67(11.90%)d18.79(83.65%)	0.001116340	********** Hartree
73	RY(6)C2 s(1.31%)p26.09(34.18%)d49.25(64.51%)	0.000981072	********** Hartree
74	RY(7)C2 s(15.84%)p2.00(31.68%)d3.31(52.48%)	0.000458460	********** Hartree
75	RY(8)C2 s(27.50%)p1.17(32.10%)d1.47(40.40%)	0.000326759	********** Hartree
76	RY(9)C2 s(28.36%)p1.42(40.22%)d1.11(31.43%)	0.000268348	********** Hartree
77	RY(10)C2 s(17.20%)p0.32(5.58%)d4.49(77.22%)	0.000228362	********** Hartree
78	RY(11)C2 s(12.71%)p0.69(8.74%)d6.18(78.55%)	0.000164921	********** Hartree
79	RY(12)C2 s(33.52%)p0.47(15.78%)d1.51(50.70%)	0.000061245	********** Hartree
80	RY(13)C2 s(15.76%)p4.11(64.81%)d1.23(19.43%)	0.000034108	********** Hartree
81	RY(14)C2 s(0.40%)p99.99(63.85%)d88.79(35.75%)	0.000015074	********** Hartree
82	RY(15)C2 s(4.55%)p4.59(20.89%)d16.38(74.56%)	0.000008141	********** Hartree
83	RY(16)C2 s(12.19%)p2.65(32.33%)d4.55(55.48%)	0.000000027	********** Hartree
84	RY(17)C2 s(76.55%)p0.21(15.79%)d0.10(7.66%)	0.000000006	********** Hartree
85	RY(18)C2 s(4.47%)p4.37(19.52%)d17.01(76.01%)	0.000000008	********** Hartree
86	RY(19)C2 s(7.93%)p9.87(78.27%)d1.74(13.80%)	0.000000001	********** Hartree
87	RY(20)C2 s(6.90%)p1.78(12.27%)d11.71(80.83%)	0.000000152	********** Hartree
88	RY(21)C2 s(1.44%)p63.50(91.68%)d4.76(6.88%)	0.000000717	********** Hartree
89	RY(22)C2 s(9.68%)p1.96(18.93%)d7.38(71.40%)	0.000000030	********** Hartree
90	RY(1)C3 s(0.05%)p99.99(96.67%)d64.10(3.28%)	0.004905285	********** Hartree
91	RY(2)C3 s(8.10%)p10.58(85.69%)d0.77(6.21%)	0.003463534	********** Hartree
92	RY(3)C3 s(67.06%)p0.28(18.84%)d0.21(14.11%)	0.000960232	********** Hartree
93	RY(4)C3 s(5.30%)p11.52(61.03%)d6.36(33.67%)	0.000845642	********** Hartree
94	RY(5)C3 s(17.20%)p3.68(63.23%)d1.14(19.57%)	0.000601136	********** Hartree
95	RY(6)C3 s(4.36%)p2.92(12.73%)d19.02(82.91%)	0.000373575	********** Hartree
96	RY(7)C3 s(1.38%)p20.42(28.17%)d51.06(70.45%)	0.000190961	********** Hartree
97	RY(8)C3 s(6.66%)p3.96(26.37%)d10.05(66.97%)	0.000121203	********** Hartree
98	RY(9)C3 s(14.48%)p2.69(38.95%)d3.22(46.57%)	0.000077945	********** Hartree
99	RY(10)C3 s(20.48%)p1.54(31.45%)d2.35(48.07%)	0.000065559	********** Hartree
100	RY(11)C3 s(12.02%)p6.23(74.89%)d1.09(13.10%)	0.000046706	********** Hartree
101	RY(12)C3 s(5.34%)p7.33(39.14%)d10.40(55.52%)	0.000020674	********** Hartree
102	RY(13)C3 s(3.94%)p8.41(33.15%)d15.96(62.91%)	0.000016684	********** Hartree
103	RY(14)C3 s(14.63%)p1.96(28.62%)d3.88(56.75%)	0.000006124	********** Hartree
104	RY(15)C3 s(32.89%)p0.89(29.34%)d1.15(37.77%)	0.000004730	********** Hartree
105	RY(16)C3 s(1.29%)p12.29(15.90%)d64.00(82.81%)	0.000000003	********** Hartree
106	RY(17)C3 s(12.44%)p1.31(16.34%)d5.72(71.22%)	0.000000020	********** Hartree
107	RY(18)C3 s(11.52%)p1.82(20.96%)d5.86(67.52%)	0.000000014	********** Hartree
108	RY(19)C3 s(24.19%)p1.68(40.76%)d1.45(35.05%)	0.000000034	********** Hartree
109	RY(20)C3 s(2.99%)p17.67(52.84%)d14.77(44.17%)	0.000000001	********** Hartree
110	RY(21)C3 s(14.21%)p4.67(66.31%)d1.37(19.48%)	0.000000004	********** Hartree
111	RY(22)C3 s(19.44%)p1.01(19.58%)d3.14(60.98%)	0.000000001	********** Hartree
112	RY(1)C4 s(4.74%)p19.45(92.29%)d0.62(2.96%)	0.002753439	********** Hartree
113	RY(2)C4 s(0.08%)p99.99(86.44%)d99.99(13.48%)	0.000983720	********** Hartree
114	RY(3)C4 s(28.11%)p2.18(61.20%)d0.38(10.69%)	0.000222031	********** Hartree
115	RY(4)C4 s(37.56%)p0.68(25.53%)d0.98(36.91%)	0.000159141	********** Hartree
116	RY(5)C4 s(16.91%)p2.89(48.94%)d2.02(34.15%)	0.000051634	********** Hartree
117	RY(6)C4 s(6.28%)p6.90(43.35%)d8.02(50.37%)	0.000037031	********** Hartree
118	RY(7)C4 s(11.23%)p2.83(31.77%)d5.08(57.00%)	0.000022082	********** Hartree
119	RY(8)C4 s(29.47%)p0.94(27.74%)d1.45(42.79%)	0.000021091	********** Hartree
120	RY(9)C4 s(2.09%)p13.63(28.48%)d33.23(69.43%)	0.000011747	********** Hartree
121	RY(10)C4 s(10.41%)p3.82(39.77%)d4.79(49.82%)	0.000010323	********** Hartree
122	RY(11)C4 s(2.38%)p15.75(37.43%)d25.33(60.20%)	0.000004312	********** Hartree
123	RY(12)C4 s(14.55%)p3.94(57.26%)d1.94(28.19%)	0.000003503	********** Hartree
124	RY(13)C4 s(22.36%)p2.19(49.00%)d1.28(28.64%)	0.000001282	********** Hartree
125	RY(14)C4 s(7.98%)p6.11(48.71%)d5.43(43.31%)	0.000000526	********** Hartree
126	RY(15)C4 s(4.62%)p6.71(31.01%)d13.93(64.37%)	0.000000018	********** Hartree
127	RY(16)C4 s(3.09%)p12.87(39.72%)d18.54(57.20%)	0.000000000	********** Hartree
128	RY(17)C4 s(14.21%)p2.07(29.44%)d3.97(56.36%)	0.000000008	********** Hartree
129	RY(18)C4 s(5.59%)p2.29(12.81%)d14.60(81.60%)	0.000000000	********** Hartree
130	RY(19)C4 s(14.67%)p2.09(30.63%)d3.73(54.70%)	0.000000009	********** Hartree
131	RY(20)C4 s(50.42%)p0.26(13.26%)d0.72(36.32%)	0.000000000	********** Hartree
132	RY(21)C4 s(3.33%)p7.95(26.45%)d21.10(70.23%)	0.000000547	********** Hartree
133	RY(22)C4 s(9.95%)p3.97(39.56%)d5.07(50.49%)	0.000000001	********** Hartree
134	RY(1)H5 s(95.45%)p0.05(4.55%)	0.000799936	********** Hartree
135	RY(2)H5 s(43.82%)p1.28(56.18%)	0.000047710	********** Hartree
136	RY(3)H5 s(40.00%)p1.50(60.00%)	0.000012732	********** Hartree
137	RY(4)H5 s(11.11%)p8.00(88.89%)	0.000008332	********** Hartree
138	RY(5)H5 s(9.71%)p9.30(90.29%)	0.000009086	********** Hartree
139	RY(1)H6 s(98.35%)p0.02(1.65%)	0.000769615	********** Hartree
140	RY(2)H6 s(93.77%)p0.07(6.23%)	0.000069063	********** Hartree
141	RY(3)H6 s(0.14%)p99.99(99.86%)	0.000027618	********** Hartree
142	RY(4)H6 s(7.06%)p13.16(92.94%)	0.000007759	********** Hartree
143	RY(5)H6 s(0.80%)p99.99(99.20%)	0.000005546	********** Hartree
144	RY(1)H7 s(97.61%)p0.02(2.39%)	0.000794396	********** Hartree
145	RY(2)H7 s(59.66%)p0.68(40.34%)	0.000041567	********** Hartree
146	RY(3)H7 s(19.19%)p4.21(80.81%)	0.000021810	********** Hartree
147	RY(4)H7 s(15.51%)p5.45(84.49%)	0.000011872	********** Hartree
148	RY(5)H7 s(8.14%)p11.28(91.86%)	0.000004746	********** Hartree
149	RY(1)H8 s(97.58%)p0.02(2.42%)	0.001216886	********** Hartree
150	RY(2)H8 s(67.46%)p0.48(32.54%)	0.000069261	********** Hartree
151	RY(3)H8 s(24.67%)p3.05(75.33%)	0.000046672	********** Hartree
152	RY(4)H8 s(7.98%)p11.54(92.02%)	0.000016701	********** Hartree
153	RY(5)H8 s(2.46%)p39.72(97.54%)	0.000008450	********** Hartree
154	RY(1)H9 s(96.58%)p0.04(3.42%)	0.001012502	********** Hartree
155	RY(2)H9 s(85.49%)p0.17(14.51%)	0.000065124	********** Hartree
156	RY(3)H9 s(0.26%)p99.99(99.74%)	0.000052807	********** Hartree
157	RY(4)H9 s(14.33%)p5.98(85.67%)	0.000017115	********** Hartree
158	RY(5)H9 s(3.47%)p27.85(96.53%)	0.000009092	********** Hartree
159	RY(1)C10 s(0.05%)p99.99(95.75%)d82.36(4.20%)	0.003237587	********** Hartree
160	RY(2)C10 s(0.71%)p99.99(95.58%)d5.21(3.71%)	0.002994318	********** Hartree
161	RY(3)C10 s(57.66%)p0.64(37.03%)d0.09(5.30%)	0.001040031	********** Hartree
162	RY(4)C10 s(21.81%)p0.93(20.29%)d2.66(57.90%)	0.000286060	********** Hartree
163	RY(5)C10 s(2.42%)p8.08(19.54%)d32.29(78.05%)	0.000197528	********** Hartree
164	RY(6)C10 s(19.14%)p1.89(36.22%)d2.33(44.64%)	0.000151063	********** Hartree
165	RY(7)C10 s(2.71%)p6.67(18.09%)d29.21(79.19%)	0.000090013	********** Hartree
166	RY(8)C10 s(5.64%)p10.69(60.30%)d6.04(34.06%)	0.000055126	********** Hartree
167	RY(9)C10 s(4.32%)p12.31(53.21%)d9.83(42.47%)	0.000046083	********** Hartree
168	RY(10)C10 s(3.32%)p6.55(21.79%)d22.53(74.89%)	0.000029366	********** Hartree
169	RY(11)C10 s(13.60%)p3.74(50.83%)d2.62(35.58%)	0.000015121	********** Hartree
170	RY(12)C10 s(5.28%)p8.58(45.30%)d9.37(49.43%)	0.000007321	********** Hartree
171	RY(13)C10 s(9.96%)p5.03(50.12%)d4.01(39.93%)	0.000002530	********** Hartree
172	RY(14)C10 s(38.73%)p0.38(14.64%)d1.20(46.63%)	0.000001656	********** Hartree
173	RY(15)C10 s(21.28%)p1.02(21.71%)d2.68(57.00%)	0.000000000	********** Hartree
174	RY(16)C10 s(8.92%)p3.39(30.22%)d6.82(60.86%)	0.000000007	********** Hartree
175	RY(17)C10 s(9.03%)p4.01(36.19%)d6.07(54.79%)	0.000000002	********** Hartree
176	RY(18)C10 s(21.50%)p2.34(50.28%)d1.31(28.22%)	0.000000149	********** Hartree
177	RY(19)C10 s(0.82%)p42.44(35.01%)d77.78(64.17%)	0.000000016	********** Hartree
178	RY(20)C10 s(30.80%)p0.97(30.03%)d1.27(39.17%)	0.000000001	********** Hartree
179	RY(21)C10 s(5.97%)p5.98(35.72%)d9.77(58.31%)	0.000000926	********** Hartree
180	RY(22)C10 s(16.39%)p2.63(43.12%)d2.47(40.49%)	0.000000000	********** Hartree
181	RY(1)H11 s(93.48%)p0.07(6.52%)	0.000464036	********** Hartree
182	RY(2)H11 s(80.98%)p0.23(19.02%)	0.000052790	********** Hartree
183	RY(3)H11 s(4.22%)p22.69(95.78%)	0.000030507	********** Hartree
184	RY(4)H11 s(0.70%)p99.99(99.30%)	0.000014991	********** Hartree
185	RY(5)H11 s(20.71%)p3.83(79.29%)	0.000011425	********** Hartree
186	RY(1)H12 s(96.30%)p0.04(3.70%)	0.000618343	********** Hartree
187	RY(2)H12 s(83.60%)p0.20(16.40%)	0.000080353	********** Hartree
188	RY(3)H12 s(3.48%)p27.74(96.52%)	0.000028401	********** Hartree
189	RY(4)H12 s(15.13%)p5.61(84.87%)	0.000015686	********** Hartree
190	RY(5)H12 s(1.58%)p62.25(98.42%)	0.000008551	********** Hartree
191	RY(1)H13 s(97.22%)p0.03(2.78%)	0.000741653	********** Hartree
192	RY(2)H13 s(94.38%)p0.06(5.62%)	0.000073764	********** Hartree
193	RY(3)H13 s(1.25%)p78.89(98.75%)	0.000024560	********** Hartree
194	RY(4)H13 s(0.07%)p99.99(99.93%)	0.000012755	********** Hartree
195	RY(5)H13 s(7.18%)p12.92(92.82%)	0.000009415	********** Hartree
196	RY(1)Cl14 s(0.05%)p99.99(61.54%)d99.99(38.41%)	0.002026495	********** Hartree
197	RY(2)Cl14 s(0.12%)p99.99(60.76%)d99.99(39.12%)	0.001925082	********** Hartree
198	RY(3)Cl14 s(13.08%)p4.03(52.76%)d2.61(34.16%)	0.001027282	********** Hartree
199	RY(4)Cl14 s(0.93%)p14.00(13.04%)d92.36(86.03%)	0.000148392	********** Hartree
200	RY(5)Cl14 s(1.01%)p4.46(4.50%)d93.62(94.49%)	0.000097586	********** Hartree
201	RY(6)Cl14 s(11.18%)p2.88(32.21%)d5.06(56.61%)	0.000055939	********** Hartree
202	RY(7)Cl14 s(50.89%)p0.72(36.79%)d0.24(12.33%)	0.000032659	********** Hartree
203	RY(8)Cl14 s(0.93%)p56.95(53.21%)d49.08(45.86%)	0.000019481	********** Hartree
204	RY(9)Cl14 s(10.44%)p2.76(28.87%)d5.81(60.69%)	0.000013859	********** Hartree
205	RY(10)Cl14 s(1.75%)p18.20(31.93%)d37.79(66.31%)	0.000010915	********** Hartree
206	RY(11)Cl14 s(6.55%)p10.59(69.39%)d3.67(24.06%)	0.000007589	********** Hartree
207	RY(12)Cl14 s(45.11%)p0.41(18.46%)d0.81(36.44%)	0.000006345	********** Hartree
208	RY(13)Cl14 s(10.15%)p5.00(50.71%)d3.85(39.14%)	0.000002646	********** Hartree
209	RY(14)Cl14 s(14.46%)p3.05(44.12%)d2.86(41.42%)	0.000001611	********** Hartree
210	RY(15)Cl14 s(96.34%)p0.03(2.92%)d0.01(0.74%)	0.000000000	********** Hartree
211	RY(16)Cl14 s(25.52%)p1.85(47.26%)d1.07(27.23%)	0.000000001	********** Hartree
212	RY(17)Cl14 s(12.28%)p5.28(64.86%)d1.86(22.86%)	0.000000195	********** Hartree
213	RY(18)Cl14 s(3.12%)p29.22(91.12%)d1.85(5.76%)	0.000000000	********** Hartree
214	RY(19)Cl14 s(4.85%)p11.41(55.33%)d8.21(39.82%)	0.000000001	********** Hartree
215	RY(20)Cl14 s(30.56%)p0.94(28.67%)d1.33(40.77%)	0.000000415	********** Hartree
216	RY(21)Cl14 s(9.37%)p8.96(84.03%)d0.70(6.59%)	0.000000000	********** Hartree
217	RY(22)Cl14 s(28.71%)p0.94(26.96%)d1.54(44.33%)	0.000000755	********** Hartree
218	RY(23)Cl14 s(0.18%)p99.99(32.07%)d99.99(67.75%)	0.000001252	********** Hartree
219	RY(24)Cl14 s(11.50%)p6.22(71.57%)d1.47(16.93%)	0.000000000	********** Hartree
220	RY(25)Cl14 s(0.68%)p99.99(71.18%)d41.28(28.14%)	0.000000011	********** Hartree
221	RY(26)Cl14 s(10.21%)p6.53(66.71%)d2.26(23.08%)	0.000000524	********** Hartree
222	RY(1)H15 s(94.94%)p0.05(5.06%)	0.000566406	********** Hartree
223	RY(2)H15 s(91.73%)p0.09(8.27%)	0.000073447	********** Hartree
224	RY(3)H15 s(0.65%)p99.99(99.35%)	0.000028906	********** Hartree
225	RY(4)H15 s(3.63%)p26.58(96.37%)	0.000011376	********** Hartree
226	RY(5)H15 s(9.16%)p9.92(90.84%)	0.000007522	********** Hartree
227	RY(1)H16 s(97.77%)p0.02(2.23%)	0.000866443	********** Hartree
228	RY(2)H16 s(95.82%)p0.04(4.18%)	0.000076194	********** Hartree
229	RY(3)H16 s(1.59%)p61.90(98.41%)	0.000026610	********** Hartree
230	RY(4)H16 s(0.14%)p99.99(99.86%)	0.000013418	********** Hartree
231	RY(5)H16 s(4.80%)p19.85(95.20%)	0.000006267	********** Hartree
232	RY(1)H17 s(96.02%)p0.04(3.98%)	0.000682118	********** Hartree
233	RY(2)H17 s(87.60%)p0.14(12.40%)	0.000077909	********** Hartree
234	RY(3)H17 s(1.85%)p53.14(98.15%)	0.000023371	********** Hartree
235	RY(4)H17 s(8.45%)p10.83(91.55%)	0.000013621	********** Hartree
236	RY(5)H17 s(6.17%)p15.20(93.83%)	0.000010701	********** Hartree

Natural Bond Orbitals

Display Range		- / 236
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	CR(1)C1	1	1.999999852	********** Hartree
2	CR(1)C2	2	1.999998445	********** Hartree
3	CR(1)C3	3	1.999999838	********** Hartree
4	CR(1)C4	4	1.999999855	********** Hartree
5	CR(1)C10	5	1.999999845	********** Hartree
6	CR(1)Cl14	6	1.999999999	********** Hartree
7	CR(2)Cl14	7	1.999994382	********** Hartree
8	CR(3)Cl14	8	1.999998861	********** Hartree
9	CR(4)Cl14	9	1.999997852	********** Hartree
10	CR(5)Cl14	10	1.999999005	********** Hartree
11	LP(1)Cl14	11	1.993764700	********** Hartree
12	LP(2)Cl14	12	1.977805244	********** Hartree
13	LP(3)Cl14	13	1.977223485	********** Hartree
14	BD(1)C1-C2	14, 15	1.983436208	********** Hartree
15	BD(1)C1-H15	16, 17	1.989579036	********** Hartree
16	BD(1)C1-H16	18, 19	1.981342965	********** Hartree
17	BD(1)C1-H17	20, 21	1.990092328	********** Hartree
18	BD(1)C2-C3	22, 23	1.981233367	********** Hartree
19	BD(1)C2-C10	24, 25	1.984463735	********** Hartree
20	BD(1)C2-Cl14	26, 27	1.978443721	********** Hartree
21	BD(1)C3-C4	28, 29	1.990158321	********** Hartree
22	BD(1)C3-H8	30, 31	1.972406669	********** Hartree
23	BD(1)C3-H9	32, 33	1.981313913	********** Hartree
24	BD(1)C4-H5	34, 35	1.990255476	********** Hartree
25	BD(1)C4-H6	36, 37	1.990399904	********** Hartree
26	BD(1)C4-H7	38, 39	1.990566879	********** Hartree
27	BD(1)C10-H11	40, 41	1.989317038	********** Hartree
28	BD(1)C10-H12	42, 43	1.989975515	********** Hartree
29	BD(1)C10-H13	44, 45	1.980972241	********** Hartree
30	BD*(1)C1-C2		0.021068711	********** Hartree
31	BD*(1)C1-H15		0.005145658	********** Hartree
32	BD*(1)C1-H16		0.008457195	********** Hartree
33	BD*(1)C1-H17		0.004785740	********** Hartree
34	BD*(1)C2-C3		0.030410371	********** Hartree
35	BD*(1)C2-C10		0.024701822	********** Hartree
36	BD*(1)C2-Cl14		0.053686128	********** Hartree
37	BD*(1)C3-C4		0.005858757	********** Hartree
38	BD*(1)C3-H8		0.015485145	********** Hartree
39	BD*(1)C3-H9		0.012894730	********** Hartree
40	BD*(1)C4-H5		0.004088054	********** Hartree
41	BD*(1)C4-H6		0.006959117	********** Hartree
42	BD*(1)C4-H7		0.006442264	********** Hartree
43	BD*(1)C10-H11		0.005004009	********** Hartree
44	BD*(1)C10-H12		0.005231009	********** Hartree
45	BD*(1)C10-H13		0.008273518	********** Hartree
46	RY(1)C1	46	0.003721948	********** Hartree
47	RY(2)C1	47	0.002771486	********** Hartree
48	RY(3)C1	48	0.000715946	********** Hartree
49	RY(4)C1	49	0.000239810	********** Hartree
50	RY(5)C1	50	0.000142014	********** Hartree
51	RY(6)C1	51	0.000122306	********** Hartree
52	RY(7)C1	52	0.000090228	********** Hartree
53	RY(8)C1	53	0.000045647	********** Hartree
54	RY(9)C1	54	0.000038082	********** Hartree
55	RY(10)C1	55	0.000018801	********** Hartree
56	RY(11)C1	56	0.000014796	********** Hartree
57	RY(12)C1	57	0.000004634	********** Hartree
58	RY(13)C1	58	0.000002823	********** Hartree
59	RY(14)C1	59	0.000000000	********** Hartree
60	RY(15)C1	60	0.000000955	********** Hartree
61	RY(16)C1	61	0.000000777	********** Hartree
62	RY(17)C1	62	0.000000001	********** Hartree
63	RY(18)C1	63	0.000000008	********** Hartree
64	RY(19)C1	64	0.000000019	********** Hartree
65	RY(20)C1	65	0.000000000	********** Hartree
66	RY(21)C1	66	0.000000016	********** Hartree
67	RY(22)C1	67	0.000000004	********** Hartree
68	RY(1)C2	68	0.006735229	********** Hartree
69	RY(2)C2	69	0.005387594	********** Hartree
70	RY(3)C2	70	0.004064662	********** Hartree
71	RY(4)C2	71	0.001653152	********** Hartree
72	RY(5)C2	72	0.001116340	********** Hartree
73	RY(6)C2	73	0.000981072	********** Hartree
74	RY(7)C2	74	0.000458460	********** Hartree
75	RY(8)C2	75	0.000326759	********** Hartree
76	RY(9)C2	76	0.000268348	********** Hartree
77	RY(10)C2	77	0.000228362	********** Hartree
78	RY(11)C2	78	0.000164921	********** Hartree
79	RY(12)C2	79	0.000061245	********** Hartree
80	RY(13)C2	80	0.000034108	********** Hartree
81	RY(14)C2	81	0.000015074	********** Hartree
82	RY(15)C2	82	0.000008141	********** Hartree
83	RY(16)C2	83	0.000000027	********** Hartree
84	RY(17)C2	84	0.000000006	********** Hartree
85	RY(18)C2	85	0.000000008	********** Hartree
86	RY(19)C2	86	0.000000001	********** Hartree
87	RY(20)C2	87	0.000000152	********** Hartree
88	RY(21)C2	88	0.000000717	********** Hartree
89	RY(22)C2	89	0.000000030	********** Hartree
90	RY(1)C3	90	0.004905285	********** Hartree
91	RY(2)C3	91	0.003463534	********** Hartree
92	RY(3)C3	92	0.000960232	********** Hartree
93	RY(4)C3	93	0.000845642	********** Hartree
94	RY(5)C3	94	0.000601136	********** Hartree
95	RY(6)C3	95	0.000373575	********** Hartree
96	RY(7)C3	96	0.000190961	********** Hartree
97	RY(8)C3	97	0.000121203	********** Hartree
98	RY(9)C3	98	0.000077945	********** Hartree
99	RY(10)C3	99	0.000065559	********** Hartree
100	RY(11)C3	100	0.000046706	********** Hartree
101	RY(12)C3	101	0.000020674	********** Hartree
102	RY(13)C3	102	0.000016684	********** Hartree
103	RY(14)C3	103	0.000006124	********** Hartree
104	RY(15)C3	104	0.000004730	********** Hartree
105	RY(16)C3	105	0.000000003	********** Hartree
106	RY(17)C3	106	0.000000020	********** Hartree
107	RY(18)C3	107	0.000000014	********** Hartree
108	RY(19)C3	108	0.000000034	********** Hartree
109	RY(20)C3	109	0.000000001	********** Hartree
110	RY(21)C3	110	0.000000004	********** Hartree
111	RY(22)C3	111	0.000000001	********** Hartree
112	RY(1)C4	112	0.002753439	********** Hartree
113	RY(2)C4	113	0.000983720	********** Hartree
114	RY(3)C4	114	0.000222031	********** Hartree
115	RY(4)C4	115	0.000159141	********** Hartree
116	RY(5)C4	116	0.000051634	********** Hartree
117	RY(6)C4	117	0.000037031	********** Hartree
118	RY(7)C4	118	0.000022082	********** Hartree
119	RY(8)C4	119	0.000021091	********** Hartree
120	RY(9)C4	120	0.000011747	********** Hartree
121	RY(10)C4	121	0.000010323	********** Hartree
122	RY(11)C4	122	0.000004312	********** Hartree
123	RY(12)C4	123	0.000003503	********** Hartree
124	RY(13)C4	124	0.000001282	********** Hartree
125	RY(14)C4	125	0.000000526	********** Hartree
126	RY(15)C4	126	0.000000018	********** Hartree
127	RY(16)C4	127	0.000000000	********** Hartree
128	RY(17)C4	128	0.000000008	********** Hartree
129	RY(18)C4	129	0.000000000	********** Hartree
130	RY(19)C4	130	0.000000009	********** Hartree
131	RY(20)C4	131	0.000000000	********** Hartree
132	RY(21)C4	132	0.000000547	********** Hartree
133	RY(22)C4	133	0.000000001	********** Hartree
134	RY(1)H5	134	0.000799936	********** Hartree
135	RY(2)H5	135	0.000047710	********** Hartree
136	RY(3)H5	136	0.000012732	********** Hartree
137	RY(4)H5	137	0.000008332	********** Hartree
138	RY(5)H5	138	0.000009086	********** Hartree
139	RY(1)H6	139	0.000769615	********** Hartree
140	RY(2)H6	140	0.000069063	********** Hartree
141	RY(3)H6	141	0.000027618	********** Hartree
142	RY(4)H6	142	0.000007759	********** Hartree
143	RY(5)H6	143	0.000005546	********** Hartree
144	RY(1)H7	144	0.000794396	********** Hartree
145	RY(2)H7	145	0.000041567	********** Hartree
146	RY(3)H7	146	0.000021810	********** Hartree
147	RY(4)H7	147	0.000011872	********** Hartree
148	RY(5)H7	148	0.000004746	********** Hartree
149	RY(1)H8	149	0.001216886	********** Hartree
150	RY(2)H8	150	0.000069261	********** Hartree
151	RY(3)H8	151	0.000046672	********** Hartree
152	RY(4)H8	152	0.000016701	********** Hartree
153	RY(5)H8	153	0.000008450	********** Hartree
154	RY(1)H9	154	0.001012502	********** Hartree
155	RY(2)H9	155	0.000065124	********** Hartree
156	RY(3)H9	156	0.000052807	********** Hartree
157	RY(4)H9	157	0.000017115	********** Hartree
158	RY(5)H9	158	0.000009092	********** Hartree
159	RY(1)C10	159	0.003237587	********** Hartree
160	RY(2)C10	160	0.002994318	********** Hartree
161	RY(3)C10	161	0.001040031	********** Hartree
162	RY(4)C10	162	0.000286060	********** Hartree
163	RY(5)C10	163	0.000197528	********** Hartree
164	RY(6)C10	164	0.000151063	********** Hartree
165	RY(7)C10	165	0.000090013	********** Hartree
166	RY(8)C10	166	0.000055126	********** Hartree
167	RY(9)C10	167	0.000046083	********** Hartree
168	RY(10)C10	168	0.000029366	********** Hartree
169	RY(11)C10	169	0.000015121	********** Hartree
170	RY(12)C10	170	0.000007321	********** Hartree
171	RY(13)C10	171	0.000002530	********** Hartree
172	RY(14)C10	172	0.000001656	********** Hartree
173	RY(15)C10	173	0.000000000	********** Hartree
174	RY(16)C10	174	0.000000007	********** Hartree
175	RY(17)C10	175	0.000000002	********** Hartree
176	RY(18)C10	176	0.000000149	********** Hartree
177	RY(19)C10	177	0.000000016	********** Hartree
178	RY(20)C10	178	0.000000001	********** Hartree
179	RY(21)C10	179	0.000000926	********** Hartree
180	RY(22)C10	180	0.000000000	********** Hartree
181	RY(1)H11	181	0.000464036	********** Hartree
182	RY(2)H11	182	0.000052790	********** Hartree
183	RY(3)H11	183	0.000030507	********** Hartree
184	RY(4)H11	184	0.000014991	********** Hartree
185	RY(5)H11	185	0.000011425	********** Hartree
186	RY(1)H12	186	0.000618343	********** Hartree
187	RY(2)H12	187	0.000080353	********** Hartree
188	RY(3)H12	188	0.000028401	********** Hartree
189	RY(4)H12	189	0.000015686	********** Hartree
190	RY(5)H12	190	0.000008551	********** Hartree
191	RY(1)H13	191	0.000741653	********** Hartree
192	RY(2)H13	192	0.000073764	********** Hartree
193	RY(3)H13	193	0.000024560	********** Hartree
194	RY(4)H13	194	0.000012755	********** Hartree
195	RY(5)H13	195	0.000009415	********** Hartree
196	RY(1)Cl14	196	0.002026495	********** Hartree
197	RY(2)Cl14	197	0.001925082	********** Hartree
198	RY(3)Cl14	198	0.001027282	********** Hartree
199	RY(4)Cl14	199	0.000148392	********** Hartree
200	RY(5)Cl14	200	0.000097586	********** Hartree
201	RY(6)Cl14	201	0.000055939	********** Hartree
202	RY(7)Cl14	202	0.000032659	********** Hartree
203	RY(8)Cl14	203	0.000019481	********** Hartree
204	RY(9)Cl14	204	0.000013859	********** Hartree
205	RY(10)Cl14	205	0.000010915	********** Hartree
206	RY(11)Cl14	206	0.000007589	********** Hartree
207	RY(12)Cl14	207	0.000006345	********** Hartree
208	RY(13)Cl14	208	0.000002646	********** Hartree
209	RY(14)Cl14	209	0.000001611	********** Hartree
210	RY(15)Cl14	210	0.000000000	********** Hartree
211	RY(16)Cl14	211	0.000000001	********** Hartree
212	RY(17)Cl14	212	0.000000195	********** Hartree
213	RY(18)Cl14	213	0.000000000	********** Hartree
214	RY(19)Cl14	214	0.000000001	********** Hartree
215	RY(20)Cl14	215	0.000000415	********** Hartree
216	RY(21)Cl14	216	0.000000000	********** Hartree
217	RY(22)Cl14	217	0.000000755	********** Hartree
218	RY(23)Cl14	218	0.000001252	********** Hartree
219	RY(24)Cl14	219	0.000000000	********** Hartree
220	RY(25)Cl14	220	0.000000011	********** Hartree
221	RY(26)Cl14	221	0.000000524	********** Hartree
222	RY(1)H15	222	0.000566406	********** Hartree
223	RY(2)H15	223	0.000073447	********** Hartree
224	RY(3)H15	224	0.000028906	********** Hartree
225	RY(4)H15	225	0.000011376	********** Hartree
226	RY(5)H15	226	0.000007522	********** Hartree
227	RY(1)H16	227	0.000866443	********** Hartree
228	RY(2)H16	228	0.000076194	********** Hartree
229	RY(3)H16	229	0.000026610	********** Hartree
230	RY(4)H16	230	0.000013418	********** Hartree
231	RY(5)H16	231	0.000006267	********** Hartree
232	RY(1)H17	232	0.000682118	********** Hartree
233	RY(2)H17	233	0.000077909	********** Hartree
234	RY(3)H17	234	0.000023371	********** Hartree
235	RY(4)H17	235	0.000013621	********** Hartree
236	RY(5)H17	236	0.000010701	********** Hartree

Quote

MYSTERY IS THE WISDOM OF BLOCKHEADS... HORACE WALPOLE

WebMO Job Summary

113650: 8. 2-chloro-2-methylbutane, Natural Bond Orbitals 6.0/NRT - Gaussian

Calculated Quantities

Overview

Rotational Constants

Partial Charges

Molecular Orbitals

Natural Population Analysis

Natural Atomic Orbitals

Natural Hybrid Orbitals

Natural Bond Orbitals

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