N-dimethylaniline B3P86/6-31G(3d,3p) opt structure
0 1
H
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
Variables:
B1=1.08394634
B2=1.3897931
B3=1.3897931
B4=1.38714352
B5=1.38714352
B6=1.40757861
B7=1.08558777
B8=1.08558777
B9=1.08255974
B10=1.08255974
B11=1.38157297
B12=1.44186181
B13=1.09004942
B14=1.10011029
B15=1.09530454
B16=1.44186181
B17=1.10011029
B18=1.09004942
B19=1.09530454
A1=120.77495808
A2=120.77495808
A3=121.18767063
A4=121.18767063
A5=120.77761431
A6=119.97573829
A7=119.97573829
A8=118.96166658
A9=118.96166658
A10=121.19380202
A11=119.46426732
A12=109.09591174
A13=112.92149588
A14=111.22463307
A15=119.46426732
A16=112.92149588
A17=109.09591174
A18=111.22463307
D1=-179.60083089
D2=-179.86662066
D3=179.86662066
D4=0.41903268
D5=-0.12702285
D6=0.12702285
D7=179.53527342
D8=-179.53527342
D9=178.55078902
D10=171.5790407
D11=179.09847502
D12=-60.64870387
D13=60.73626659
D14=8.82140823
D15=60.64870387
D16=-179.09847502
D17=-60.73626659
