(Chloromethyl)cyclopropane, gauche
CMCP MP2/6-311+G(d,p) str
0 1
C
C,1,B1
C,2,B2,1,A1
H,1,B3,2,A2,3,D1,0
H,2,B4,1,A3,3,D2,0
H,2,B5,1,A4,3,D3,0
H,3,B6,2,A5,1,D4,0
H,3,B7,2,A6,1,D5,0
C,1,B8,2,A7,3,D6,0
H,9,B9,1,A8,2,D7,0
H,9,B10,1,A9,2,D8,0
Cl,9,B11,1,A10,2,D9,0
Variables:
B1=1.50586999
B2=1.51259626
B3=1.08591102
B4=1.0834156
B5=1.0850999
B6=1.08496805
B7=1.0836575
B8=1.49663225
B9=1.09143593
B10=1.09220843
B11=1.79288967
A1=60.15836926
A2=116.67258921
A3=117.82879322
A4=117.06152356
A5=117.49714222
A6=118.22472742
A7=119.22203096
A8=111.59335661
A9=110.48388961
A10=111.08151727
D1=106.92660123
D2=-108.09302536
D3=107.74542047
D4=107.45766167
D5=-107.2945073
D6=-107.89683417
D7=158.07142469
D8=36.04958064
D9=-82.83086466
1,2,3,4,5,6,7,8,9,10,11,12,0
TZV
****
Cl
D 1 1.00
3.00000000 1.00000000
D 1 1.00
0.750000000 1.00000000
D 1 1.00
0.187500000 1.00000000
F 1 1.00
0.700000000 1.00000000
****
C
D 1 1.00
2.50400000 1.00000000
D 1 1.00
0.626000000 1.00000000
D 1 1.00
0.156500000 1.00000000
F 1 1.00
0.800000000 1.00000000
****
H
P 1 1.00
1.500000000 1.00000000
P 1 1.00
0.375000000 1.00000000
****
