N-Methylaniline B3LYP/cc-pVTZ opt structure
0 1
C
C,1,B1
C,2,B2,1,A1
C,3,B3,2,A2,1,D1,0
C,4,B4,3,A3,2,D2,0
C,5,B5,4,A4,3,D3,0
H,1,B6,2,A5,3,D4,0
H,2,B7,1,A6,6,D5,0
H,3,B8,2,A7,1,D6,0
H,4,B9,3,A8,2,D7,0
H,5,B10,4,A9,3,D8,0
N,6,B11,5,A10,4,D9,0
H,12,B12,6,A11,5,D10,0
C,12,B13,6,A12,5,D11,0
H,14,B14,12,A13,6,D12,0
H,14,B15,12,A14,6,D13,0
H,14,B16,12,A15,6,D14,0
Variables:
B1=1.39054559
B2=1.38778658
B3=1.3933091
B4=1.38360851
B5=1.40524447
B6=1.08009395
B7=1.08250709
B8=1.0809642
B9=1.0824176
B10=1.08377606
B11=1.38560695
B12=1.00530062
B13=1.44676975
B14=1.08830977
B15=1.0917012
B16=1.09743683
A1=121.14272552
A2=118.73354162
A3=120.74592103
A4=120.85215517
A5=119.38659895
A6=118.93844799
A7=120.68191716
A8=120.01349787
A9=119.9624289
A10=119.57244969
A11=114.42607912
A12=122.21995045
A13=108.73140721
A14=110.87256432
A15=113.3074437
D1=-0.05786022
D2=-0.17035873
D3=0.06208857
D4=-179.71497411
D5=-179.88211142
D6=179.83442545
D7=179.84769806
D8=-179.51779034
D9=-178.08019417
D10=-20.01772147
D11=-166.81486516
D12=175.31315941
D13=-66.78999596
D14=54.72957478
