Quinoline B3P86/6-31G(3d,3p) structure
0 1
N
C 1 B1
C 2 B2 1 A1
C 3 B3 2 A2 1 0.
C 4 B4 3 A3 2 0.
C 5 B5 4 A4 3 180.
C 6 B6 5 A5 4 180.
C 7 B7 6 A6 5 0.
C 8 B8 7 A7 6 0.
C 1 B9 2 A8 3 0.
H 2 B10 1 A9 10 180.
H 3 B11 2 A10 1 180.
H 4 B12 3 A11 2 180.
H 6 B13 5 A12 4 0.
H 7 B14 6 A13 5 180.
H 8 B15 7 A14 6 180.
H 9 B16 8 A15 7 180.
B1 1.31216486
B2 1.41217853
B3 1.36905519
B4 1.41222490
B5 1.41426925
B6 1.37119882
B7 1.41171691
B8 1.37132911
B9 1.36042005
B10 1.08888412
B11 1.08425662
B12 1.08618071
B13 1.08603003
B14 1.08480784
B15 1.08497854
B16 1.08424082
A1 124.34231229
A2 118.71103729
A3 119.23817727
A4 123.22881399
A5 120.39973005
A6 120.32055169
A7 120.61481301
A8 117.59511492
A9 116.18471514
A10 119.81711995
A11 121.21137754
A12 118.94882935
A13 120.07899007
A14 119.40951244
A15 121.90616543
Isoquinoline B3P86/6-31G(3d,3p) structure
0 1
N
C 1 B1
C 2 B2 1 A1
C 3 B3 2 A2 1 0.
C 4 B4 3 A3 2 180.
C 5 B5 4 A4 3 180.
C 6 B6 5 A5 4 0.
C 7 B7 6 A6 5 0.
C 8 B8 7 A7 6 0.
C 1 B9 2 A8 3 0.
H 2 B10 1 A9 10 180.
H 3 B11 2 A10 1 180.
H 5 B12 4 A11 3 0.
H 6 B13 5 A12 4 180.
H 7 B14 6 A13 5 180.
H 8 B15 7 A14 6 180.
H 10 B16 1 A15 2 180.
B1 1.35647931
B2 1.37011626
B3 1.41265454
B4 1.41412450
B5 1.37176418
B6 1.41189422
B7 1.37122220
B8 1.41258265
B9 1.31126035
B10 1.08655666
B11 1.08523396
B12 1.08550086
B13 1.08498113
B14 1.08461594
B15 1.08585586
B16 1.09004685
A1 124.08494108
A2 119.36407066
A3 123.92130632
A4 120.22201493
A5 120.78488984
A6 120.22257340
A7 120.18017233
A8 117.18257197
A9 115.37850181
A10 120.50848725
A11 119.14697258
A12 119.86288785
A13 119.54879883
A14 120.76214027
A15 116.69346750
