4-(Dimethylamino)benzonitrile
B3P86/6-31G(3d,3p) opt str
0 1
C
C,1,B1
C,2,B2,1,A1
C,2,B3,1,A2,3,D1,0
C,3,B4,2,A3,1,D2,0
C,4,B5,2,A4,1,D3,0
C,6,B6,4,A5,2,D4,0
H,3,B7,2,A6,1,D5,0
H,4,B8,2,A7,1,D6,0
H,5,B9,3,A8,2,D7,0
H,6,B10,4,A9,2,D8,0
N,7,B11,6,A10,4,D9,0
C,12,B12,7,A11,6,D10,0
H,13,B13,12,A12,7,D11,0
H,13,B14,12,A13,7,D12,0
H,13,B15,12,A14,7,D13,0
C,12,B16,7,A15,6,D14,0
H,17,B17,12,A16,7,D15,0
H,17,B18,12,A17,7,D16,0
H,17,B19,12,A18,7,D17,0
N,1,B20,4,A19,2,D18,0
Variables:
B1=1.42303293
B2=1.39975546
B3=1.39975546
B4=1.38003493
B5=1.38003493
B6=1.41143708
B7=1.08413205
B8=1.08413205
B9=1.08201751
B10=1.08201751
B11=1.36826811
B12=1.44422383
B13=1.0890684
B14=1.09685601
B15=1.09685414
B16=1.44422383
B17=1.09685601
B18=1.0890684
B19=1.09685414
B20=1.15960871
A1=120.73743746
A2=120.73743746
A3=120.9372967
A4=120.9372967
A5=120.95021059
A6=119.36820527
A7=119.36820527
A8=118.77690264
A9=118.77690264
A10=121.1500698
A11=120.10220672
A12=109.11989932
A13=111.87969857
A14=111.87607756
A15=120.10220672
A16=111.87969857
A17=109.11989932
A18=111.87607756
A19=150.63745079
D1=179.99489959
D2=179.98915428
D3=-179.98915428
D4=-0.00159539
D5=-0.00960594
D6=0.00960594
D7=179.99982957
D8=-179.99982957
D9=179.99237672
D10=179.94667703
D11=-179.92060261
D12=-60.61452531
D13=60.770062
D14=0.0584143
D15=60.61452531
D16=179.92060261
D17=-60.770062
D18=-179.9481432
