# B3PW91/6-311+G(df,pd) prop scf=tight

CH3CH2NC B3P86/6-31G(3d,3p) structure

0 1

C

C 1 B1

N 2 B2 1 A1

C 3 B3 2 A2 1 0.

H 2 B4 1 A3 3 -D2

H 2 B4 1 A3 3 D2

H 1 B6 2 A5 3 180.

H 1 B7 2 A6 3 D5

H 1 B7 2 A6 3 -D5

B1=1.5220

B2=1.4208

B3=1.1709

B4=1.0941

B6=1.0923

B7=1.0914

A1=111.79

A2=178.69

A3=110.86

A5=109.66

A6=110.80

D2=120.48

D5=60.22