WebMO Job Summary

Quantity	Value
Route	#N B3LYP/6-311+G(2d,p) SP GFINPUT POP=(FULL,NBORead)
Method	B3LYP
Stoichiometry	C3H4
Symmetry	D2D
Basis	6-311+G(2d,p)
RB3LYP Energy	-116.698401631 Hartree
Dipole Moment	0.0000 Debye
Server	class (387325)
CPU time	83.4 sec

Constant	Frequency (GHz)	Frequency (cm-1)
a	145.8752713	4.86587528830
b	8.9660074	0.29907381459
c	8.9660074	0.29907381459

Atom	Symbol	Charge
1	C	-0.398410
2	C	0.348620
3	C	-0.398410
4	H	0.112050
5	H	0.112050
6	H	0.112050
7	H	0.112050

					Show all
Orbital	Symmetry	Occupancy	Spin	Energy ()	Actions
1	A1	2	-	-10.19609
2	B2	2	-	-10.17861
3	A1	2	-	-10.1786
4	A1	2	-	-0.79957
5	B2	2	-	-0.71257
6	A1	2	-	-0.5293
7	B2	2	-	-0.46229
8	E	2	-	-0.45072
9	E	2	-	-0.45072
10	E	2	-	-0.27621
11	E	2	-	-0.27621
12	E	0	-	-0.00367
13	E	0	-	-0.00367
14	A1	0	-	0.01201
15	B2	0	-	0.03058
16	E	0	-	0.05666
17	E	0	-	0.05666
18	A1	0	-	0.06169
19	E	0	-	0.08776
20	E	0	-	0.08776
21	B2	0	-	0.11276
22	B2	0	-	0.14564
23	E	0	-	0.14918
24	E	0	-	0.14918
25	A1	0	-	0.16346
26	A1	0	-	0.19673
27	B2	0	-	0.22503
28	E	0	-	0.24661
29	E	0	-	0.24661
30	A1	0	-	0.29064
31	B2	0	-	0.40672
32	A1	0	-	0.45929
33	E	0	-	0.48695
34	E	0	-	0.48695
35	B2	0	-	0.49227
36	A1	0	-	0.50637
37	B1	0	-	0.5131
38	E	0	-	0.55569
39	E	0	-	0.55569
40	E	0	-	0.61879
41	E	0	-	0.61879
42	A2	0	-	0.62773
43	B2	0	-	0.63595
44	A1	0	-	0.64841
45	B2	0	-	0.6705
46	E	0	-	0.67883
47	E	0	-	0.67883
48	A1	0	-	0.77007
49	B2	0	-	0.90604
50	B1	0	-	0.9077
51	E	0	-	0.93873
52	E	0	-	0.93873
53	B2	0	-	0.97247
54	A1	0	-	0.99148
55	E	0	-	1.11341
56	E	0	-	1.11341
57	B2	0	-	1.29414
58	A1	0	-	1.3695
59	E	0	-	1.38704
60	E	0	-	1.38704
61	B2	0	-	1.40949
62	E	0	-	1.71248
63	E	0	-	1.71248
64	A2	0	-	1.77821
65	E	0	-	1.87989
66	E	0	-	1.87989
67	B1	0	-	2.00479
68	A1	0	-	2.02828
69	B2	0	-	2.11036
70	A1	0	-	2.12765
71	A1	0	-	2.29053
72	E	0	-	2.32666
73	E	0	-	2.32666
74	B2	0	-	2.48419
75	E	0	-	2.59103
76	E	0	-	2.59103
77	A1	0	-	2.70989
78	B2	0	-	2.77503
79	E	0	-	2.87884
80	E	0	-	2.87884
81	A1	0	-	3.05038
82	E	0	-	3.05779
83	E	0	-	3.05779
84	B1	0	-	3.18029
85	A2	0	-	3.2482
86	B2	0	-	3.25538
87	E	0	-	3.28982
88	E	0	-	3.28982
89	A1	0	-	3.30532
90	B1	0	-	3.40192
91	E	0	-	3.40806
92	E	0	-	3.40806
93	B2	0	-	3.42377
94	B2	0	-	3.49691
95	E	0	-	3.71467
96	E	0	-	3.71467
97	B2	0	-	3.73245
98	A1	0	-	3.80317
99	E	0	-	4.13643
100	E	0	-	4.13643
101	B2	0	-	4.40511
102	A1	0	-	4.80787
103	A1	0	-	23.64085
104	B2	0	-	23.95244
105	A1	0	-	24.54517
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Atom	Symbol	Charge
1	C	-0.47237
2	C	0.08065
3	C	-0.47237
4	H	0.21602
5	H	0.21602
6	H	0.21602
7	H	0.21602

					Show all
Orbital	Description	Occupancy	Spin	Energy ()	Actions
1	C1 Cor(1S)	1.999026705	-	-10.033822363
2	C1 Val(2S)	1.043379932	-	-0.199306755
3	C1 Ryd(3S)	0.002035016	-	1.092909570
4	C1 Ryd(4S)	0.000030745	-	4.191778882
5	C1 Ryd(5S)	0.000001905	-	18.956699117
6	C1 Val(2p)	1.088295138	-	-0.124679197
7	C1 Ryd(3p)	0.001328608	-	0.410345166
8	C1 Ryd(5p)	0.000008980	-	2.402376404
9	C1 Ryd(4p)	0.000008001	-	0.675672303
10	C1 Val(2p)	1.192078257	-	-0.064267683
11	C1 Ryd(4p)	0.001419190	-	0.713335958
12	C1 Ryd(5p)	0.000026218	-	2.966317500
13	C1 Ryd(3p)	0.000013157	-	0.476411133
14	C1 Val(2p)	1.137556011	-	-0.073728646
15	C1 Ryd(3p)	0.001705420	-	0.410832096
16	C1 Ryd(5p)	0.000201187	-	3.119999634
17	C1 Ryd(4p)	0.000053712	-	0.643408315
18	C1 Ryd(3d)	0.000000000	-	1.499882951
19	C1 Ryd(4d)	0.000000000	-	2.360631410
20	C1 Ryd(3d)	0.000895990	-	1.788847712
21	C1 Ryd(4d)	0.000008836	-	2.590396954
22	C1 Ryd(3d)	0.000751479	-	2.086884017
23	C1 Ryd(4d)	0.000119401	-	2.649038401
24	C1 Ryd(3d)	0.001119871	-	1.834852859
25	C1 Ryd(4d)	0.000029764	-	2.545088808
26	C1 Ryd(3d)	0.002219162	-	2.488274968
27	C1 Ryd(4d)	0.000059023	-	2.994298790
28	C2 Cor(1S)	1.999169528	-	-10.044934761
29	C2 Val(2S)	0.905881798	-	-0.135797431
30	C2 Ryd(4S)	0.000379615	-	1.851827072
31	C2 Ryd(3S)	0.000079915	-	1.628157736
32	C2 Ryd(5S)	-0.000000000	-	19.790662161
33	C2 Val(2p)	0.935685639	-	-0.086690741
34	C2 Ryd(3p)	0.002594251	-	0.588484609
35	C2 Ryd(4p)	0.000100075	-	0.615940933
36	C2 Ryd(5p)	0.000015496	-	2.522373407
37	C2 Val(2p)	0.935685639	-	-0.086690741
38	C2 Ryd(3p)	0.002594251	-	0.588484609
39	C2 Ryd(4p)	0.000100075	-	0.615940933
40	C2 Ryd(5p)	0.000015496	-	2.522373407
41	C2 Val(2p)	1.129000276	-	-0.009469888
42	C2 Ryd(4p)	0.005644603	-	1.344763366
43	C2 Ryd(3p)	0.000250664	-	0.926021746
44	C2 Ryd(5p)	0.000057581	-	2.957941604
45	C2 Ryd(4d)	0.000000000	-	3.047564395
46	C2 Ryd(3d)	0.000000000	-	1.218584828
47	C2 Ryd(4d)	0.000706638	-	3.045724660
48	C2 Ryd(3d)	0.000026089	-	2.343229187
49	C2 Ryd(4d)	0.000706638	-	3.045724660
50	C2 Ryd(3d)	0.000026089	-	2.343229187
51	C2 Ryd(4d)	0.000003446	-	3.054062619
52	C2 Ryd(3d)	0.000021671	-	1.475583021
53	C2 Ryd(4d)	0.000540349	-	3.960424254
54	C2 Ryd(3d)	0.000067493	-	2.662566701
55	C3 Cor(1S)	1.999026705	-	-10.033822363
56	C3 Val(2S)	1.043379932	-	-0.199306755
57	C3 Ryd(3S)	0.002035016	-	1.092909568
58	C3 Ryd(4S)	0.000030745	-	4.191780536
59	C3 Ryd(5S)	0.000001905	-	18.956697465
60	C3 Val(2p)	1.192078257	-	-0.064267683
61	C3 Ryd(4p)	0.001419190	-	0.713335958
62	C3 Ryd(5p)	0.000026218	-	2.966317508
63	C3 Ryd(3p)	0.000013157	-	0.476411124
64	C3 Val(2p)	1.088295138	-	-0.124679197
65	C3 Ryd(3p)	0.001328608	-	0.410345166
66	C3 Ryd(5p)	0.000008980	-	2.402376413
67	C3 Ryd(4p)	0.000008001	-	0.675672294
68	C3 Val(2p)	1.137556011	-	-0.073728646
69	C3 Ryd(3p)	0.001705420	-	0.410832096
70	C3 Ryd(5p)	0.000201187	-	3.119999637
71	C3 Ryd(4p)	0.000053712	-	0.643408312
72	C3 Ryd(3d)	-0.000000000	-	1.499882951
73	C3 Ryd(4d)	0.000000000	-	2.360631411
74	C3 Ryd(3d)	0.000751479	-	2.086884017
75	C3 Ryd(4d)	0.000119401	-	2.649038401
76	C3 Ryd(3d)	0.000895990	-	1.788847712
77	C3 Ryd(4d)	0.000008836	-	2.590396954
78	C3 Ryd(3d)	0.001119871	-	1.834852859
79	C3 Ryd(4d)	0.000029764	-	2.545088808
80	C3 Ryd(3d)	0.002219162	-	2.488274968
81	C3 Ryd(4d)	0.000059023	-	2.994298790
82	H4 Val(1S)	0.781708707	-	0.030422716
83	H4 Ryd(2S)	0.001356378	-	0.612542735
84	H4 Ryd(3S)	0.000174476	-	2.161896136
85	H4 Ryd(2p)	0.000330037	-	2.589899518
86	H4 Ryd(2p)	0.000278179	-	1.776438183
87	H4 Ryd(2p)	0.000128040	-	2.303615968
88	H5 Val(1S)	0.781708707	-	0.030422716
89	H5 Ryd(2S)	0.001356378	-	0.612542735
90	H5 Ryd(3S)	0.000174476	-	2.161896136
91	H5 Ryd(2p)	0.000330037	-	2.589899518
92	H5 Ryd(2p)	0.000278179	-	1.776438183
93	H5 Ryd(2p)	0.000128040	-	2.303615968
94	H6 Val(1S)	0.781708707	-	0.030422716
95	H6 Ryd(2S)	0.001356378	-	0.612542735
96	H6 Ryd(3S)	0.000174476	-	2.161896136
97	H6 Ryd(2p)	0.000278179	-	1.776438183
98	H6 Ryd(2p)	0.000330037	-	2.589899518
99	H6 Ryd(2p)	0.000128040	-	2.303615968
100	H7 Val(1S)	0.781708707	-	0.030422716
101	H7 Ryd(2S)	0.001356378	-	0.612542735
102	H7 Ryd(3S)	0.000174476	-	2.161896136
103	H7 Ryd(2p)	0.000278179	-	1.776438183
104	H7 Ryd(2p)	0.000330037	-	2.589899518
105	H7 Ryd(2p)	0.000128040	-	2.303615968

					Show all
Orbital	Description	Occupancy	Spin	Energy ()	Actions
1	BD(1)C1(C2) 1s(39.69%)p1.51(60.12%)d0.00(0.19%)	0.986522304	-	-0.018457819
2	BD(1)C2(C1) 2s(49.97%)p1.00(50.00%)d0.00(0.03%)	1.018010604	-	-0.067122146
3	BD(2)C1(C2) 1s(0.00%)p1.00(99.92%)d0.00(0.08%)	1.090332590	-	-0.126718244
4	BD(2)C2(C1) 2s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.936093312	-	-0.087364458
5	BD(1)C1(H6) 1s(30.15%)p2.31(69.76%)d0.00(0.08%)	1.196459013	-	-0.145150042
6	BD(1)H6(C1) 6s(99.96%)p0.00(0.04%)	0.782029528	-	0.033742199
7	BD(1)C1(H7) 1s(30.15%)p2.31(69.76%)d0.00(0.08%)	1.196459013	-	-0.145150042
8	BD(1)H7(C1) 7s(99.96%)p0.00(0.04%)	0.782029528	-	0.033742199
9	BD(1)C2(C3) 2s(49.97%)p1.00(50.00%)d0.00(0.03%)	1.018010604	-	-0.067122146
10	BD(1)C3(C2) 3s(39.69%)p1.51(60.12%)d0.00(0.19%)	0.986522304	-	-0.018457819
11	BD(2)C2(C3) 2s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.936093312	-	-0.087364458
12	BD(2)C3(C2) 3s(0.00%)p1.00(99.92%)d0.00(0.08%)	1.090332590	-	-0.126718244
13	BD(1)C3(H4) 3s(30.15%)p2.31(69.76%)d0.00(0.08%)	1.196459013	-	-0.145150042
14	BD(1)H4(C3) 4s(99.96%)p0.00(0.04%)	0.782029528	-	0.033742199
15	BD(1)C3(H5) 3s(30.15%)p2.31(69.76%)d0.00(0.08%)	1.196459013	-	-0.145150042
16	BD(1)H5(C3) 5s(99.96%)p0.00(0.04%)	0.782029528	-	0.033742199
17	CR(1)C1 s(100.00%)p0.00(0.00%)	1.999031884	-	-10.034543227
18	CR(1)C2 s(100.00%)	1.999169457	-	-10.045280316
19	CR(1)C3 s(100.00%)p0.00(0.00%)	1.999031884	-	-10.034543227
20	RY*(1)C1 s(0.00%)p1.00(85.47%)d0.17(14.53%)	0.001698840	-	1.069942619
21	RY*(2)C1 s(68.34%)p0.39(26.64%)d0.07(5.02%)	0.001289245	-	1.935241780
22	RY*(3)C1 s(6.09%)p12.68(77.30%)d2.72(16.60%)	0.000275974	-	0.745077028
23	RY*(4)C1 s(0.00%)p1.00(95.68%)d0.05(4.32%)	0.000212964	-	0.421438479
24	RY*(5)C1 s(36.98%)p0.47(17.50%)d1.23(45.52%)	0.000076824	-	2.357437374
25	RY*(6)C1 s(0.00%)p1.00(100.00%)	0.000000000	-	0.722237110
26	RY*(7)C1 s(99.39%)p0.01(0.57%)d0.00(0.05%)	0.000000054	-	18.634021138
27	RY*(8)C1 s(0.00%)p1.00(100.00%)	0.000000000	-	3.016125912
28	RY*(9)C1 s(0.00%)p1.00(100.00%)	0.000000000	-	0.454228141
29	RY*(10)C1 s(57.69%)p0.07(3.82%)d0.67(38.49%)	0.000001511	-	3.598824354
30	RY*(11)C1 s(20.53%)p3.62(74.24%)d0.25(5.23%)	0.000000088	-	2.645871258
31	RY*(12)C1 s(1.51%)p64.53(97.66%)d0.55(0.83%)	0.000001985	-	0.611105843
32	RY*(13)C1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000000	-	1.499882951
33	RY*(14)C1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000000	-	2.360631410
34	RY*(15)C1 s(0.00%)p1.00(0.63%)d99.99(99.37%)	-0.000000000	-	1.795967243
35	RY*(16)C1 s(0.00%)p1.00(3.77%)d25.54(96.23%)	-0.000000000	-	2.443591101
36	RY*(17)C1 s(0.00%)p1.00(9.45%)d9.58(90.55%)	0.000000000	-	1.974490752
37	RY*(18)C1 s(0.00%)p1.00(5.14%)d18.46(94.86%)	0.000000000	-	2.375577789
38	RY*(19)C1 s(2.00%)p0.80(1.60%)d48.28(96.40%)	0.000008743	-	1.847931168
39	RY*(20)C1 s(1.13%)p0.60(0.67%)d87.24(98.20%)	0.000000525	-	2.589410538
40	RY*(21)C1 s(0.00%)p1.00(100.00%)	-0.000000000	-	2.486443654
41	RY*(22)C1 s(6.34%)p0.05(0.30%)d14.73(93.36%)	0.000000151	-	3.287020032
42	RY*(1)C2 s(0.00%)p1.00(99.99%)d0.00(0.01%)	0.005382650	-	1.506918805
43	RY*(2)C2 s(0.00%)p1.00(86.24%)d0.16(13.76%)	0.003034875	-	0.891564600
44	RY*(3)C2 s(0.00%)p1.00(86.24%)d0.16(13.76%)	0.003034875	-	0.891564600
45	RY*(4)C2 s(99.60%)p0.00(0.00%)d0.00(0.40%)	0.000381104	-	1.932316583
46	RY*(5)C2 s(78.33%)p0.00(0.00%)d0.28(21.67%)	0.000102042	-	2.207164746
47	RY*(6)C2 s(0.00%)p1.00(99.89%)d0.00(0.11%)	0.000035974	-	2.156185051
48	RY*(7)C2 s(100.00%)	-0.000000000	-	19.790662177
49	RY*(8)C2 s(0.00%)p1.00(100.00%)d0.00(0.00%)	0.000000000	-	0.609721828
50	RY*(9)C2 s(0.00%)p1.00(100.00%)	-0.000000000	-	2.586783372
51	RY*(10)C2 s(0.00%)p1.00(100.00%)d0.00(0.00%)	0.000000000	-	0.609721828
52	RY*(11)C2 s(0.00%)p1.00(100.00%)	-0.000000000	-	2.586783372
53	RY*(12)C2 s(0.00%)p1.00(100.00%)	-0.000000000	-	1.561576081
54	RY*(13)C2 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000000	-	3.047564395
55	RY*(14)C2 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000000	-	1.218584828
56	RY*(15)C2 s(0.00%)p1.00(13.80%)d6.25(86.20%)	0.000000000	-	2.691175086
57	RY*(16)C2 s(0.00%)p1.00(0.01%)d99.99(99.99%)	0.000000000	-	2.337181627
58	RY*(17)C2 s(0.00%)p1.00(13.80%)d6.25(86.20%)	0.000000000	-	2.691175086
59	RY*(18)C2 s(0.00%)p1.00(0.01%)d99.99(99.99%)	0.000000000	-	2.337181627
60	RY*(19)C2 s(0.00%)p1.00(0.09%)d99.99(99.91%)	-0.000000000	-	3.054039023
61	RY*(20)C2 s(0.00%)p1.00(0.03%)d99.99(99.97%)	0.000000000	-	1.476246739
62	RY*(21)C2 s(15.77%)p0.00(0.00%)d5.34(84.23%)	0.000000205	-	3.359348101
63	RY*(22)C2 s(6.36%)p0.00(0.00%)d14.72(93.64%)	0.000004299	-	2.596875503
64	RY*(1)C3 s(0.00%)p1.00(85.47%)d0.17(14.53%)	0.001698840	-	1.069942619
65	RY*(2)C3 s(68.34%)p0.39(26.64%)d0.07(5.02%)	0.001289245	-	1.935241775
66	RY*(3)C3 s(6.09%)p12.68(77.30%)d2.72(16.60%)	0.000275974	-	0.745077027
67	RY*(4)C3 s(0.00%)p1.00(95.68%)d0.05(4.32%)	0.000212964	-	0.421438479
68	RY*(5)C3 s(36.98%)p0.47(17.50%)d1.23(45.52%)	0.000076824	-	2.357437426
69	RY*(6)C3 s(0.00%)p1.00(100.00%)	0.000000000	-	0.454228133
70	RY*(7)C3 s(99.39%)p0.01(0.57%)d0.00(0.05%)	0.000000054	-	18.634044196
71	RY*(8)C3 s(0.00%)p1.00(99.91%)d0.00(0.09%)	-0.000000000	-	2.487205656
72	RY*(9)C3 s(0.00%)p1.00(99.94%)d0.00(0.06%)	0.000000000	-	0.721285480
73	RY*(10)C3 s(57.70%)p0.07(3.82%)d0.67(38.48%)	0.000001512	-	3.598903730
74	RY*(11)C3 s(20.53%)p3.62(74.24%)d0.25(5.23%)	0.000000088	-	2.645861777
75	RY*(12)C3 s(1.51%)p64.55(97.66%)d0.55(0.83%)	0.000001986	-	0.611083197
76	RY*(13)C3 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000000	-	1.499882951
77	RY*(14)C3 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000000	-	2.360631411
78	RY*(15)C3 s(0.00%)p1.00(9.45%)d9.58(90.55%)	0.000000000	-	1.974490752
79	RY*(16)C3 s(0.00%)p1.00(5.14%)d18.46(94.86%)	0.000000000	-	2.375577789
80	RY*(17)C3 s(0.00%)p1.00(0.59%)d99.99(99.41%)	-0.000000000	-	1.764079981
81	RY*(18)C3 s(0.00%)p1.00(3.97%)d24.21(96.03%)	-0.000000000	-	2.475667991
82	RY*(19)C3 s(2.00%)p0.80(1.60%)d48.29(96.40%)	0.000008742	-	1.847912438
83	RY*(20)C3 s(1.13%)p0.60(0.67%)d87.24(98.20%)	0.000000525	-	2.589409844
84	RY*(21)C3 s(0.00%)p1.00(100.00%)	-0.000000000	-	3.016125920
85	RY*(22)C3 s(6.34%)p0.05(0.30%)d14.72(93.36%)	0.000000151	-	3.286969103
86	RY*(1)H4 s(97.66%)p0.02(2.34%)	0.001395572	-	0.654342265
87	RY*(2)H4 s(0.00%)p1.00(100.00%)	0.000278179	-	1.776438183
88	RY*(3)H4 s(89.87%)p0.11(10.13%)	0.000188255	-	2.115877084
89	RY*(4)H4 s(10.82%)p8.24(89.18%)	0.000057197	-	2.196960943
90	RY*(5)H4 s(1.68%)p58.44(98.32%)	0.000027085	-	2.697454582
91	RY*(1)H5 s(97.66%)p0.02(2.34%)	0.001395572	-	0.654342265
92	RY*(2)H5 s(0.00%)p1.00(100.00%)	0.000278179	-	1.776438183
93	RY*(3)H5 s(89.87%)p0.11(10.13%)	0.000188255	-	2.115877084
94	RY*(4)H5 s(10.82%)p8.24(89.18%)	0.000057197	-	2.196960943
95	RY*(5)H5 s(1.68%)p58.44(98.32%)	0.000027085	-	2.697454582
96	RY*(1)H6 s(97.66%)p0.02(2.34%)	0.001395572	-	0.654342265
97	RY*(2)H6 s(0.00%)p1.00(100.00%)	0.000278179	-	1.776438183
98	RY*(3)H6 s(89.87%)p0.11(10.13%)	0.000188255	-	2.115877084
99	RY*(4)H6 s(10.82%)p8.24(89.18%)	0.000057197	-	2.196960943
100	RY*(5)H6 s(1.68%)p58.44(98.32%)	0.000027085	-	2.697454583
101	RY*(1)H7 s(97.66%)p0.02(2.34%)	0.001395572	-	0.654342265
102	RY*(2)H7 s(0.00%)p1.00(100.00%)	0.000278179	-	1.776438183
103	RY*(3)H7 s(89.87%)p0.11(10.13%)	0.000188255	-	2.115877084
104	RY*(4)H7 s(10.82%)p8.24(89.18%)	0.000057197	-	2.196960943
105	RY*(5)H7 s(1.68%)p58.44(98.32%)	0.000027085	-	2.697454583

					Show all
Orbital	Description	NHOs	Occupancy	Spin	Energy ()	Actions
1	BD(1)C1-C2	394, 395	1.989647604	-	-0.803174910
2	BD(2)C1-C2	396, 397	1.967108580	-	-0.283456373
3	BD(1)C1-H6	398, 399	1.962698444	-	-0.526102808
4	BD(1)C1-H7	400, 401	1.962698445	-	-0.526102809
5	BD(1)C2-C3	402, 403	1.989647604	-	-0.803174910
6	BD(2)C2-C3	404, 405	1.967108580	-	-0.283456373
7	BD(1)C3-H4	406, 407	1.962698444	-	-0.526102808
8	BD(1)C3-H5	408, 409	1.962698445	-	-0.526102809
9	CR(1)C1	410	1.999031884	-	-10.034543227
10	CR(1)C2	411	1.999169457	-	-10.045280316
11	CR(1)C3	412	1.999031884	-	-10.034543227
12	RY*(1)C1	413	0.001698840	-	1.069942619
13	RY*(2)C1	414	0.001289245	-	1.935241780
14	RY*(3)C1	415	0.000275974	-	0.745077028
15	RY*(4)C1	416	0.000212964	-	0.421438479
16	RY*(5)C1	417	0.000076824	-	2.357437374
17	RY*(6)C1	418	0.000000000	-	0.722237110
18	RY*(7)C1	419	0.000000054	-	18.634021138
19	RY*(8)C1	420	0.000000000	-	3.016125912
20	RY*(9)C1	421	0.000000000	-	0.454228141
21	RY*(10)C1	422	0.000001511	-	3.598824354
22	RY*(11)C1	423	0.000000088	-	2.645871258
23	RY*(12)C1	424	0.000001985	-	0.611105843
24	RY*(13)C1	425	0.000000000	-	1.499882951
25	RY*(14)C1	426	0.000000000	-	2.360631410
26	RY*(15)C1	427	-0.000000000	-	1.795967243
27	RY*(16)C1	428	-0.000000000	-	2.443591101
28	RY*(17)C1	429	0.000000000	-	1.974490752
29	RY*(18)C1	430	0.000000000	-	2.375577789
30	RY*(19)C1	431	0.000008743	-	1.847931168
31	RY*(20)C1	432	0.000000525	-	2.589410538
32	RY*(21)C1	433	-0.000000000	-	2.486443654
33	RY*(22)C1	434	0.000000151	-	3.287020032
34	RY*(1)C2	435	0.005382650	-	1.506918805
35	RY*(2)C2	436	0.003034875	-	0.891564600
36	RY*(3)C2	437	0.003034875	-	0.891564600
37	RY*(4)C2	438	0.000381104	-	1.932316583
38	RY*(5)C2	439	0.000102042	-	2.207164746
39	RY*(6)C2	440	0.000035974	-	2.156185051
40	RY*(7)C2	441	-0.000000000	-	19.790662177
41	RY*(8)C2	442	0.000000000	-	0.609721828
42	RY*(9)C2	443	-0.000000000	-	2.586783372
43	RY*(10)C2	444	0.000000000	-	0.609721828
44	RY*(11)C2	445	-0.000000000	-	2.586783372
45	RY*(12)C2	446	-0.000000000	-	1.561576081
46	RY*(13)C2	447	0.000000000	-	3.047564395
47	RY*(14)C2	448	0.000000000	-	1.218584828
48	RY*(15)C2	449	0.000000000	-	2.691175086
49	RY*(16)C2	450	0.000000000	-	2.337181627
50	RY*(17)C2	451	0.000000000	-	2.691175086
51	RY*(18)C2	452	0.000000000	-	2.337181627
52	RY*(19)C2	453	-0.000000000	-	3.054039023
53	RY*(20)C2	454	0.000000000	-	1.476246739
54	RY*(21)C2	455	0.000000205	-	3.359348101
55	RY*(22)C2	456	0.000004299	-	2.596875503
56	RY*(1)C3	457	0.001698840	-	1.069942619
57	RY*(2)C3	458	0.001289245	-	1.935241775
58	RY*(3)C3	459	0.000275974	-	0.745077027
59	RY*(4)C3	460	0.000212964	-	0.421438479
60	RY*(5)C3	461	0.000076824	-	2.357437426
61	RY*(6)C3	462	0.000000000	-	0.454228133
62	RY*(7)C3	463	0.000000054	-	18.634044196
63	RY*(8)C3	464	-0.000000000	-	2.487205656
64	RY*(9)C3	465	0.000000000	-	0.721285480
65	RY*(10)C3	466	0.000001512	-	3.598903730
66	RY*(11)C3	467	0.000000088	-	2.645861777
67	RY*(12)C3	468	0.000001986	-	0.611083197
68	RY*(13)C3	469	0.000000000	-	1.499882951
69	RY*(14)C3	470	0.000000000	-	2.360631411
70	RY*(15)C3	471	0.000000000	-	1.974490752
71	RY*(16)C3	472	-0.000000000	-	2.375577789
72	RY*(17)C3	473	-0.000000000	-	1.764079981
73	RY*(18)C3	474	-0.000000000	-	2.475667991
74	RY*(19)C3	475	0.000008742	-	1.847912438
75	RY*(20)C3	476	0.000000525	-	2.589409844
76	RY*(21)C3	477	-0.000000000	-	3.016125920
77	RY*(22)C3	478	0.000000151	-	3.286969103
78	RY*(1)H4	479	0.001395572	-	0.654342265
79	RY*(2)H4	480	0.000278179	-	1.776438183
80	RY*(3)H4	481	0.000188255	-	2.115877084
81	RY*(4)H4	482	0.000057197	-	2.196960943
82	RY*(5)H4	483	0.000027085	-	2.697454582
83	RY*(1)H5	484	0.001395572	-	0.654342265
84	RY*(2)H5	485	0.000278179	-	1.776438183
85	RY*(3)H5	486	0.000188255	-	2.115877084
86	RY*(4)H5	487	0.000057197	-	2.196960943
87	RY*(5)H5	488	0.000027085	-	2.697454582
88	RY*(1)H6	489	0.001395572	-	0.654342265
89	RY*(2)H6	490	0.000278179	-	1.776438183
90	RY*(3)H6	491	0.000188255	-	2.115877084
91	RY*(4)H6	492	0.000057197	-	2.196960943
92	RY*(5)H6	493	0.000027085	-	2.697454583
93	RY*(1)H7	494	0.001395572	-	0.654342265
94	RY*(2)H7	495	0.000278179	-	1.776438183
95	RY*(3)H7	496	0.000188255	-	2.115877084
96	RY*(4)H7	497	0.000057197	-	2.196960943
97	RY*(5)H7	498	0.000027085	-	2.697454583
98	BD*(1)C1-C2		0.014885304	-	0.717594945
99	BD*(2)C1-C2		0.059317322	-	0.069373671
100	BD*(1)C1-H6		0.015790097	-	0.414694966
101	BD*(1)C1-H7		0.015790097	-	0.414694966
102	BD*(1)C2-C3		0.014885304	-	0.717594945
103	BD*(2)C2-C3		0.059317322	-	0.069373671
104	BD*(1)C3-H4		0.015790097	-	0.414694966
105	BD*(1)C3-H5		0.015790097	-	0.414694966

KNIGHT- SIRE, I'VE JUST RETURNED FROM THE FRONT KING- HOW GOES THE BATTLE KNIGHT- THE SITUATION IS QUITE FLUID KING- WHAT DOES *THAT* MEAN KNIGHT- WE'RE UP THE CREEK THE WIZARD OF ID