# B1LYP/GEN prop scf=tight

OC2H3Cl oxiranecarbochloride MP2/6-311+G(d,p) with
Lille correction for C-Cl bond length.

0 1
C
C,1,B1
O,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
Cl,1,B6,2,A5,3,D4,0
Variables:
B1=1.46167621
B2=1.45178942
B3=1.08467769
B4=1.0857549
B5=1.08515081
B6=1.7513
A1=57.48627389
A2=122.24132648
A3=119.95323172
A4=118.18651041
A5=120.09751138
D1=104.45622358
D2=-102.08135579
D3=102.34294384
D4=-105.87840995

1,2,3,4,5,6,7,0
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
****
O
D 1 1.00
5.16000000 1.00000000
D 1 1.00
1.29200000 1.00000000
D 1 1.00
0.322500000 1.00000000
F 1 1.00
1.40000000 1.00000000
****