H2NCH=CHCN ~re MP2/aug-cc-pVTZ
0 1
N
C,1,B1
C,2,B2,1,A1
C,3,B3,2,A2,1,D1,0
N,4,B4,3,A3,2,D2,0
H,1,B5,2,A4,3,D3,0
H,1,B6,2,A5,3,D4,0
H,2,B7,3,A6,4,D5,0
H,3,B8,2,A7,8,D6,0
Variables:
B1=1.36085483
B2=1.3454
B3=1.4198
B4=1.1595
B5=1.00309198
B6=1.00850238
B7=1.08156138
B8=1.07676299
A1=125.04971922
A2=119.29168075
A3=175.50150172
A4=118.91163411
A5=118.48107988
A6=119.54289831
A7=120.78647187
D1=3.07172913
D2=0.84049628
D3=-163.22104068
D4=-11.8369887
D5=-179.61124891
D6=0.47710264
