CH3CHClCN Lille
MP2/6-311+G(2d,p) angles
0 1
C
C,1,B1
H,1,B2,2,A1
H,2,B3,1,A2,3,D1,0
H,2,B4,1,A3,3,D2,0
H,2,B5,1,A4,3,D3,0
C,1,B6,2,A5,4,D4,0
N,7,B7,1,A6,4,D5,0
Cl,1,B8,2,A7,7,D6,0
Variables:
B1=1.5162
B2=1.090
B3=1.090
B4=1.088
B5=1.088
B6=1.4601
B7=1.1566
B8=1.7874
A1=111.0414501
A2=109.44937162
A3=110.32059572
A4=109.65417983
A5=111.78797498
A6=178.0414224
A7=110.55551813
D1=61.88229836
D2=-178.19261181
D3=-57.94041324
D4=-59.43284128
D5=17.36152363
D6=-121.68038937
