WebMO Job Summary

Quantity	Value
Route	#N B3LYP/6-311+G(2d,p) SP GFINPUT POP=(FULL,NBORead)
Method	B3LYP
Stoichiometry	CH3Cl
Symmetry	C3
Basis	6-311+G(2d,p)
RB3LYP Energy	-500.15459385 Hartree
Dipole Moment	2.0157 Debye
Server	class (387061)
CPU time	74.7 sec

Constant	Frequency (GHz)	Frequency (cm-1)
a	156.9199709	5.23428681118
b	13.0326072	0.43472098287
c	13.0326072	0.43472098287

Atom	Symbol	Charge
1	C	-0.398833
2	Cl	-0.045506
3	H	0.148113
4	H	0.148113
5	H	0.148113

					Show all
Orbital	Symmetry	Occupancy	Spin	Energy ()	Actions
1	-	2	-	-101.5436
2	-	2	-	-10.23133
3	-	2	-	-9.45738
4	-	2	-	-7.22214
5	-	2	-	-7.2121
6	-	2	-	-7.2121
7	-	2	-	-0.85301
8	-	2	-	-0.685
9	-	2	-	-0.45696
10	-	2	-	-0.45696
11	-	2	-	-0.41699
12	-	2	-	-0.30312
13	-	2	-	-0.30312
14	-	0	-	-0.011
15	-	0	-	0.011
16	-	0	-	0.04877
17	-	0	-	0.04877
18	-	0	-	0.06818
19	-	0	-	0.08545
20	-	0	-	0.09859
21	-	0	-	0.09864
22	-	0	-	0.13073
23	-	0	-	0.13073
24	-	0	-	0.17259
25	-	0	-	0.20139
26	-	0	-	0.36069
27	-	0	-	0.36069
28	-	0	-	0.39234
29	-	0	-	0.43551
30	-	0	-	0.43551
31	-	0	-	0.45119
32	-	0	-	0.46846
33	-	0	-	0.46848
34	-	0	-	0.49748
35	-	0	-	0.49749
36	-	0	-	0.55687
37	-	0	-	0.55687
38	-	0	-	0.60849
39	-	0	-	0.71146
40	-	0	-	0.79816
41	-	0	-	0.84021
42	-	0	-	0.84021
43	-	0	-	1.0265
44	-	0	-	1.0265
45	-	0	-	1.07291
46	-	0	-	1.2366
47	-	0	-	1.41522
48	-	0	-	1.65618
49	-	0	-	1.65618
50	-	0	-	1.80815
51	-	0	-	2.08589
52	-	0	-	2.0859
53	-	0	-	2.14716
54	-	0	-	2.14716
55	-	0	-	2.24982
56	-	0	-	2.32042
57	-	0	-	2.32042
58	-	0	-	2.35665
59	-	0	-	2.39963
60	-	0	-	2.39963
61	-	0	-	2.53913
62	-	0	-	2.53913
63	-	0	-	2.60238
64	-	0	-	2.63601
65	-	0	-	2.63601
66	-	0	-	2.85587
67	-	0	-	3.05528
68	-	0	-	3.05528
69	-	0	-	3.2739
70	-	0	-	3.2739
71	-	0	-	3.323
72	-	0	-	3.63554
73	-	0	-	4.14614
74	-	0	-	4.14614
75	-	0	-	9.72873
76	-	0	-	23.86511
77	-	0	-	25.86498
78	-	0	-	25.86498
79	-	0	-	26.78636
80	-	0	-	215.72086
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Atom	Symbol	Charge
1	C	-0.53303
2	Cl	-0.07982
3	H	0.20428
4	H	0.20428
5	H	0.20428

					Show all
Orbital	Description	Occupancy	Spin	Energy ()	Actions
1	C1 Cor(1S)	1.999204029	-	-10.110135525
2	C1 Val(2S)	1.178607628	-	-0.365517371
3	C1 Ryd(3S)	0.002487807	-	0.587709362
4	C1 Ryd(4S)	0.000038342	-	1.159449554
5	C1 Ryd(5S)	0.000001636	-	22.777283628
6	C1 Val(2p)	1.226555590	-	-0.137714020
7	C1 Ryd(3p)	0.000449209	-	0.310693683
8	C1 Ryd(5p)	0.000256590	-	2.507097936
9	C1 Ryd(4p)	0.000033957	-	0.837248000
10	C1 Val(2p)	1.226555570	-	-0.137713998
11	C1 Ryd(3p)	0.000449203	-	0.310693334
12	C1 Ryd(5p)	0.000256589	-	2.507097933
13	C1 Ryd(4p)	0.000033958	-	0.837248121
14	C1 Val(2p)	0.888257311	-	-0.175747816
15	C1 Ryd(3p)	0.002056727	-	0.264730290
16	C1 Ryd(5p)	0.000598008	-	2.455764525
17	C1 Ryd(4p)	0.000098857	-	0.798877478
18	C1 Ryd(3d)	0.000581591	-	1.638645056
19	C1 Ryd(4d)	0.000189486	-	3.045101035
20	C1 Ryd(3d)	0.001664384	-	1.457207582
21	C1 Ryd(4d)	0.000263159	-	2.924321180
22	C1 Ryd(3d)	0.001664389	-	1.457207401
23	C1 Ryd(4d)	0.000263160	-	2.924320975
24	C1 Ryd(3d)	0.000581589	-	1.638645054
25	C1 Ryd(4d)	0.000189486	-	3.045100979
26	C1 Ryd(3d)	0.001589661	-	1.630794310
27	C1 Ryd(4d)	0.000102732	-	3.196188773
28	Cl2 Cor(1S)	1.999999949	-	-100.338794237
29	Cl2 Cor(2S)	1.999817814	-	-10.406552536
30	Cl2 Val(3S)	1.867369709	-	-0.958980804
31	Cl2 Ryd(4S)	0.002466957	-	0.551030327
32	Cl2 Ryd(5S)	0.000313583	-	1.738373752
33	Cl2 Ryd(6S)	0.000000006	-	14.236537872
34	Cl2 Ryd(7S)	0.000000000	-	210.277158611
35	Cl2 Cor(2p)	1.999993247	-	-7.207894752
36	Cl2 Val(3p)	1.976718390	-	-0.314184711
37	Cl2 Ryd(4p)	0.001538282	-	0.347550728
38	Cl2 Ryd(5p)	0.000072813	-	0.354394359
39	Cl2 Ryd(6p)	0.000000098	-	5.648889587
40	Cl2 Ryd(7p)	0.000000101	-	22.311406474
41	Cl2 Cor(2p)	1.999993247	-	-7.207894749
42	Cl2 Val(3p)	1.976718373	-	-0.314184678
43	Cl2 Ryd(4p)	0.001538299	-	0.347550914
44	Cl2 Ryd(5p)	0.000072810	-	0.354304377
45	Cl2 Ryd(6p)	0.000000098	-	5.648890092
46	Cl2 Ryd(7p)	0.000000101	-	22.311406471
47	Cl2 Cor(2p)	1.999957261	-	-7.216403629
48	Cl2 Val(3p)	1.236728631	-	-0.269759474
49	Cl2 Ryd(5p)	0.003304590	-	0.352425088
50	Cl2 Ryd(4p)	0.000255848	-	0.341045857
51	Cl2 Ryd(6p)	0.000006008	-	6.597258497
52	Cl2 Ryd(7p)	0.000001861	-	22.028287872
53	Cl2 Ryd(3d)	0.000044420	-	0.535805254
54	Cl2 Ryd(4d)	0.000006786	-	2.323897787
55	Cl2 Ryd(3d)	0.002182652	-	0.679563377
56	Cl2 Ryd(4d)	0.000027493	-	2.493351143
57	Cl2 Ryd(3d)	0.002182659	-	0.679563328
58	Cl2 Ryd(4d)	0.000027494	-	2.493351241
59	Cl2 Ryd(3d)	0.000044421	-	0.535805000
60	Cl2 Ryd(4d)	0.000006786	-	2.323897094
61	Cl2 Ryd(3d)	0.008391977	-	1.002227315
62	Cl2 Ryd(4d)	0.000040708	-	2.669985647
63	H3 Val(1S)	0.794113931	-	0.005052059
64	H3 Ryd(2S)	0.000806624	-	0.459840178
65	H3 Ryd(3S)	0.000103640	-	2.212294060
66	H3 Ryd(2p)	0.000065727	-	1.747309562
67	H3 Ryd(2p)	0.000493550	-	2.606827501
68	H3 Ryd(2p)	0.000131814	-	1.847302668
69	H4 Val(1S)	0.794113945	-	0.005052038
70	H4 Ryd(2S)	0.000806623	-	0.459840327
71	H4 Ryd(3S)	0.000103639	-	2.212294175
72	H4 Ryd(2p)	0.000386594	-	2.391947967
73	H4 Ryd(2p)	0.000172683	-	1.962189045
74	H4 Ryd(2p)	0.000131814	-	1.847302658
75	H5 Val(1S)	0.794113945	-	0.005052038
76	H5 Ryd(2S)	0.000806623	-	0.459840327
77	H5 Ryd(3S)	0.000103639	-	2.212294175
78	H5 Ryd(2p)	0.000386594	-	2.391947967
79	H5 Ryd(2p)	0.000172683	-	1.962189045
80	H5 Ryd(2p)	0.000131814	-	1.847302658

					Show all
Orbital	Description	Occupancy	Spin	Energy ()	Actions
1	BD(1)C1(Cl2) 1s(20.22%)p3.94(79.62%)d0.01(0.16%)	0.880257757	-	-0.241514533
2	BD(1)Cl2(C1) 2s(14.91%)p5.66(84.35%)d0.05(0.74%)	1.119914983	-	-0.313933409
3	BD(1)C1(H3) 1s(26.65%)p2.75(73.29%)d0.00(0.06%)	1.215827598	-	-0.187891503
4	BD(1)H3(C1) 3s(99.95%)p0.00(0.05%)	0.794528070	-	0.007231804
5	BD(1)C1(H4) 1s(26.65%)p2.75(73.29%)d0.00(0.06%)	1.215827593	-	-0.187891507
6	BD(1)H4(C1) 4s(99.95%)p0.00(0.05%)	0.794528084	-	0.007231784
7	BD(1)C1(H5) 1s(26.65%)p2.75(73.29%)d0.00(0.06%)	1.215827593	-	-0.187891507
8	BD(1)H5(C1) 5s(99.95%)p0.00(0.05%)	0.794528084	-	0.007231784
9	CR(1)C1 s(100.00%)p0.00(0.00%)	1.999199909	-	-10.109941624
10	CR(1)Cl2 s(100.00%)	1.999999949	-	-100.338797697
11	CR(2)Cl2 s(100.00%)	1.999817766	-	-10.406785503
12	CR(3)Cl2 s(0.00%)p1.00(100.00%)	1.999993226	-	-7.207911627
13	CR(4)Cl2 s(0.00%)p1.00(100.00%)	1.999993226	-	-7.207911624
14	CR(5)Cl2 s(0.00%)p1.00(100.00%)	1.999957241	-	-7.216392142
15	LP(1)Cl2 s(85.21%)p0.17(14.78%)d0.00(0.01%)	1.998045715	-	-0.898726819
16	LP(2)Cl2 s(0.00%)p1.00(99.97%)d0.00(0.03%)	1.977794957	-	-0.314236249
17	LP(3)Cl2 s(0.00%)p1.00(99.97%)d0.00(0.03%)	1.977794959	-	-0.314236219
18	RY*(1)C1 s(0.00%)p1.00(20.53%)d3.87(79.47%)	0.002312720	-	1.176144214
19	RY*(2)C1 s(0.00%)p1.00(20.53%)d3.87(79.47%)	0.002312721	-	1.176144698
20	RY*(3)C1 s(36.62%)p1.72(63.16%)d0.01(0.22%)	0.001380207	-	0.806185979
21	RY*(4)C1 s(44.32%)p0.70(31.23%)d0.55(24.45%)	0.000068121	-	1.007936782
22	RY*(5)C1 s(0.00%)p1.00(61.43%)d0.63(38.57%)	0.000000718	-	1.760847355
23	RY*(6)C1 s(0.00%)p1.00(100.00%)d0.00(0.00%)	0.000001110	-	0.578689923
24	RY*(7)C1 s(0.00%)p1.00(100.00%)d0.00(0.00%)	0.000000000	-	1.505117076
25	RY*(8)C1 s(0.00%)p1.00(77.69%)d0.29(22.31%)	0.000000921	-	1.655202707
26	RY*(9)C1 s(0.00%)p1.00(100.00%)d0.00(0.00%)	0.000001110	-	0.578684117
27	RY*(10)C1 s(83.39%)p0.12(10.14%)d0.08(6.47%)	0.000001260	-	1.113714432
28	RY*(11)C1 s(9.87%)p9.13(90.11%)d0.00(0.01%)	0.000007052	-	2.029678036
29	RY*(12)C1 s(6.41%)p13.08(83.88%)d1.51(9.70%)	0.000002124	-	0.651134902
30	RY*(13)C1 s(0.00%)p1.00(5.84%)d16.11(94.16%)	0.000000161	-	1.521326502
31	RY*(14)C1 s(0.00%)p1.00(11.46%)d7.73(88.54%)	0.000000083	-	3.018095468
32	RY*(15)C1 s(98.90%)p0.00(0.35%)d0.01(0.75%)	0.000000057	-	23.036091636
33	RY*(16)C1 s(0.00%)p1.00(0.80%)d99.99(99.20%)	0.000000036	-	3.157712519
34	RY*(17)C1 s(0.00%)p1.00(100.00%)d0.00(0.00%)	0.000000000	-	1.505124638
35	RY*(18)C1 s(0.00%)p1.00(0.88%)d99.99(99.12%)	0.000000038	-	3.164518925
36	RY*(19)C1 s(0.00%)p1.00(0.32%)d99.99(99.68%)	0.000000039	-	1.622205279
37	RY*(20)C1 s(0.00%)p1.00(0.65%)d99.99(99.35%)	0.000000000	-	3.016067134
38	RY*(21)C1 s(20.13%)p0.90(18.10%)d3.07(61.77%)	0.000000818	-	1.032747260
39	RY*(22)C1 s(0.16%)p21.01(3.41%)d99.99(96.43%)	0.000000899	-	3.186358548
40	RY*(1)Cl2 s(0.00%)p1.00(40.37%)d1.48(59.63%)	0.002795102	-	0.550003901
41	RY*(2)Cl2 s(0.00%)p1.00(40.37%)d1.48(59.63%)	0.002795107	-	0.550001577
42	RY*(3)Cl2 s(46.20%)p0.97(45.02%)d0.19(8.78%)	0.000856365	-	0.679624446
43	RY*(4)Cl2 s(7.88%)p1.59(12.52%)d10.11(79.61%)	0.000050657	-	0.885641389
44	RY*(5)Cl2 s(0.00%)p1.00(56.17%)d0.78(43.83%)	0.000000219	-	0.565049020
45	RY*(6)Cl2 s(0.00%)p1.00(100.00%)d0.00(0.00%)	0.000000076	-	0.281266954
46	RY*(7)Cl2 s(0.00%)p1.00(100.00%)d0.00(0.00%)	0.000000047	-	5.648256307
47	RY*(8)Cl2 s(0.00%)p1.00(100.00%)d0.00(0.00%)	0.000000008	-	22.315225916
48	RY*(9)Cl2 s(0.00%)p1.00(58.90%)d0.70(41.10%)	0.000000221	-	0.559991278
49	RY*(10)Cl2 s(0.00%)p1.00(100.00%)d0.00(0.00%)	0.000000076	-	0.281184032
50	RY*(11)Cl2 s(0.00%)p1.00(100.00%)d0.00(0.00%)	0.000000047	-	5.648256638
51	RY*(12)Cl2 s(0.00%)p1.00(100.00%)d0.00(0.00%)	0.000000008	-	22.315225932
52	RY*(13)Cl2 s(28.85%)p2.21(63.73%)d0.26(7.42%)	0.000006141	-	0.700256458
53	RY*(14)Cl2 s(17.47%)p4.41(77.03%)d0.32(5.51%)	0.000001500	-	0.367855048
54	RY*(15)Cl2 s(0.03%)p99.99(99.46%)d19.80(0.51%)	0.000000923	-	6.455870732
55	RY*(16)Cl2 s(0.02%)p99.99(99.80%)d7.30(0.17%)	0.000000024	-	22.132114408
56	RY*(17)Cl2 s(0.00%)p1.00(3.31%)d29.24(96.69%)	0.000000002	-	0.530031255
57	RY*(18)Cl2 s(0.00%)p1.00(0.09%)d99.99(99.91%)	0.000000000	-	2.322999622
58	RY*(19)Cl2 s(96.34%)p0.01(0.49%)d0.03(3.17%)	0.000003522	-	1.585528883
59	RY*(20)Cl2 s(0.00%)p1.00(0.10%)d99.99(99.90%)	0.000000644	-	2.482094148
60	RY*(21)Cl2 s(100.00%)p0.00(0.00%)d0.00(0.00%)	0.000000006	-	14.239430705
61	RY*(22)Cl2 s(0.00%)p1.00(0.10%)d99.99(99.90%)	0.000000644	-	2.481805284
62	RY*(23)Cl2 s(0.00%)p1.00(0.57%)d99.99(99.43%)	0.000000000	-	0.535324429
63	RY*(24)Cl2 s(0.00%)p1.00(0.09%)d99.99(99.91%)	0.000000000	-	2.323047765
64	RY*(25)Cl2 s(100.00%)	0.000000000	-	210.277227997
65	RY*(26)Cl2 s(3.09%)p0.91(2.81%)d30.40(94.09%)	0.000000110	-	2.454925660
66	RY*(1)H3 s(87.38%)p0.14(12.62%)	0.000920575	-	0.615357527
67	RY*(2)H3 s(70.11%)p0.43(29.89%)	0.000112453	-	2.164013285
68	RY*(3)H3 s(36.65%)p1.73(63.35%)	0.000087287	-	2.122256422
69	RY*(4)H3 s(0.00%)p1.00(100.00%)	0.000065727	-	1.747309562
70	RY*(5)H3 s(5.91%)p15.91(94.09%)	0.000001174	-	2.222457429
71	RY*(1)H4 s(87.38%)p0.14(12.62%)	0.000920575	-	0.615357911
72	RY*(2)H4 s(70.11%)p0.43(29.89%)	0.000112452	-	2.164013281
73	RY*(3)H4 s(36.65%)p1.73(63.35%)	0.000087287	-	2.122256713
74	RY*(4)H4 s(0.00%)p1.00(100.00%)	0.000065727	-	1.747309560
75	RY*(5)H4 s(5.91%)p15.91(94.09%)	0.000001174	-	2.222456961
76	RY*(1)H5 s(87.38%)p0.14(12.62%)	0.000920575	-	0.615357911
77	RY*(2)H5 s(70.11%)p0.43(29.89%)	0.000112452	-	2.164013281
78	RY*(3)H5 s(36.65%)p1.73(63.35%)	0.000087287	-	2.122256713
79	RY*(4)H5 s(0.00%)p1.00(100.00%)	0.000065727	-	1.747309560
80	RY*(5)H5 s(5.91%)p15.91(94.09%)	0.000001174	-	2.222456961

					Show all
Orbital	Description	NHOs	Occupancy	Spin	Energy ()	Actions
1	BD(1)C1-Cl2	2696, 2697	1.997444206	-	-0.656736939
2	BD(1)C1-H3	2698, 2699	1.996823017	-	-0.551485279
3	BD(1)C1-H4	2700, 2701	1.996823021	-	-0.551485285
4	BD(1)C1-H5	2702, 2703	1.996823021	-	-0.551485285
5	CR(1)C1	2704	1.999199909	-	-10.109941624
6	CR(1)Cl2	2705	1.999999949	-	-100.338797697
7	CR(2)Cl2	2706	1.999817766	-	-10.406785503
8	CR(3)Cl2	2707	1.999993225	-	-7.207911623
9	CR(4)Cl2	2708	1.999993225	-	-7.207911620
10	CR(5)Cl2	2709	1.999957241	-	-7.216392142
11	LP(1)Cl2	2710	1.998045715	-	-0.898726819
12	LP(2)Cl2	2711	1.977794956	-	-0.314236249
13	LP(3)Cl2	2712	1.977794958	-	-0.314236219
14	RY*(1)C1	2713	0.002312720	-	1.176144214
15	RY*(2)C1	2714	0.002312721	-	1.176144698
16	RY*(3)C1	2715	0.001380207	-	0.806185979
17	RY*(4)C1	2716	0.000068121	-	1.007936782
18	RY*(5)C1	2717	0.000000718	-	1.760847355
19	RY*(6)C1	2718	0.000001110	-	0.578689923
20	RY*(7)C1	2719	0.000000000	-	1.505117076
21	RY*(8)C1	2720	0.000000921	-	1.655202707
22	RY*(9)C1	2721	0.000001110	-	0.578684117
23	RY*(10)C1	2722	0.000001260	-	1.113714432
24	RY*(11)C1	2723	0.000007052	-	2.029678036
25	RY*(12)C1	2724	0.000002124	-	0.651134902
26	RY*(13)C1	2725	0.000000161	-	1.521326502
27	RY*(14)C1	2726	0.000000083	-	3.018095468
28	RY*(15)C1	2727	0.000000057	-	23.036091636
29	RY*(16)C1	2728	0.000000036	-	3.157712519
30	RY*(17)C1	2729	0.000000000	-	1.505124638
31	RY*(18)C1	2730	0.000000038	-	3.164518925
32	RY*(19)C1	2731	0.000000039	-	1.622205279
33	RY*(20)C1	2732	0.000000000	-	3.016067134
34	RY*(21)C1	2733	0.000000818	-	1.032747260
35	RY*(22)C1	2734	0.000000899	-	3.186358548
36	RY*(1)Cl2	2735	0.002795102	-	0.550003901
37	RY*(2)Cl2	2736	0.002795107	-	0.550001577
38	RY*(3)Cl2	2737	0.000856365	-	0.679624446
39	RY*(4)Cl2	2738	0.000050657	-	0.885641389
40	RY*(5)Cl2	2739	0.000000219	-	0.565049020
41	RY*(6)Cl2	2740	0.000000076	-	0.281266954
42	RY*(7)Cl2	2741	0.000000047	-	5.648256307
43	RY*(8)Cl2	2742	0.000000008	-	22.315225916
44	RY*(9)Cl2	2743	0.000000221	-	0.559991278
45	RY*(10)Cl2	2744	0.000000076	-	0.281184032
46	RY*(11)Cl2	2745	0.000000047	-	5.648256638
47	RY*(12)Cl2	2746	0.000000008	-	22.315225932
48	RY*(13)Cl2	2747	0.000006141	-	0.700256458
49	RY*(14)Cl2	2748	0.000001500	-	0.367855048
50	RY*(15)Cl2	2749	0.000000923	-	6.455870732
51	RY*(16)Cl2	2750	0.000000024	-	22.132114408
52	RY*(17)Cl2	2751	0.000000002	-	0.530031255
53	RY*(18)Cl2	2752	0.000000000	-	2.322999622
54	RY*(19)Cl2	2753	0.000003522	-	1.585528883
55	RY*(20)Cl2	2754	0.000000644	-	2.482094148
56	RY*(21)Cl2	2755	0.000000006	-	14.239430705
57	RY*(22)Cl2	2756	0.000000644	-	2.481805284
58	RY*(23)Cl2	2757	0.000000000	-	0.535324429
59	RY*(24)Cl2	2758	0.000000000	-	2.323047765
60	RY*(25)Cl2	2759	0.000000000	-	210.277227997
61	RY*(26)Cl2	2760	0.000000110	-	2.454925660
62	RY*(1)H3	2761	0.000920575	-	0.615357527
63	RY*(2)H3	2762	0.000112453	-	2.164013285
64	RY*(3)H3	2763	0.000087287	-	2.122256422
65	RY*(4)H3	2764	0.000065727	-	1.747309562
66	RY*(5)H3	2765	0.000001174	-	2.222457429
67	RY*(1)H4	2766	0.000920575	-	0.615357911
68	RY*(2)H4	2767	0.000112452	-	2.164013281
69	RY*(3)H4	2768	0.000087287	-	2.122256713
70	RY*(4)H4	2769	0.000065727	-	1.747309560
71	RY*(5)H4	2770	0.000001174	-	2.222456961
72	RY*(1)H5	2771	0.000920575	-	0.615357911
73	RY*(2)H5	2772	0.000112452	-	2.164013281
74	RY*(3)H5	2773	0.000087287	-	2.122256713
75	RY*(4)H5	2774	0.000065727	-	1.747309560
76	RY*(5)H5	2775	0.000001174	-	2.222456961
77	BD*(1)C1-Cl2		0.002728533	-	0.101288997
78	BD*(1)C1-H3		0.013532650	-	0.370825579
79	BD*(1)C1-H4		0.013532656	-	0.370825562
80	BD*(1)C1-H5		0.013532656	-	0.370825562

GOD GAVE US TWO ENDS... ONE TO SIT ON... AND THE OTHER TO THINK WITH... YOUR SUCCESS DEPENDS UPON WHICH END YOU USE THE MOST... IT'S A CASE OF HEADS YOU WIN TAILS YOU LOSE. SOURCE UNKNOWN(IT'S JUST AS WELL.)