cyclopropyl cyanide, MP2/6-311+G(2d,p) opt
with MP2/6-311+G(d,p) correction for CN
0 1
C
C,1,B1
C,1,B2,2,A1
H,1,B3,2,A2,3,D1,0
H,2,B4,1,A3,3,D2,0
H,3,B5,1,A4,2,D3,0
H,2,B6,1,A5,3,D4,0
H,3,B7,1,A6,2,D5,0
C,1,B8,2,A7,3,D6,0
N,9,B9,1,A8,3,D7,0
Variables:
B1=1.51753192
B2=1.51753192
B3=1.08249389
B4=1.08179186
B5=1.08179186
B6=1.08176002
B7=1.08176002
B8=1.43783026
B9=1.1574
A1=59.24182202
A2=117.42111236
A3=116.60194891
A4=116.60194891
A5=116.43208606
A6=116.43208606
A7=118.4619023
A8=179.66860583
D1=107.15635893
D2=108.40242521
D3=-108.40242521
D4=-109.23683632
D5=109.23683632
D6=-107.95166701
D7=-34.20886151
