CHFClCN Lille rc MP2/aug-cc-pVTZ
0 1
Cl
C,1,B1
C,2,B2,1,A1
N,3,B3,2,A2,1,D1,0
H,2,B5,1,A4,3,D3,0
F,2,B6,1,A5,3,D4,0
Variables:
B1=1.7630
B2=1.4652
B3=1.1561
B5=1.08668241
B6=1.3558
A1=109.78563236
A2=178.57174221
A4=107.68677892
A5=109.85792555
D1=121.41294036
D3=120.95685049
D4=-120.6094203
