# B1LYP/GEN prop scf=tight

CH3OCl MP2/cc-pVTZ(G03) structure

0 1
C
O,1,B1
Cl,2,B2,1,A1
H,1,B3,2,A2,3,D1,0
H,1,B4,2,A3,3,D2,0
H,1,B5,2,A4,3,D3,0
Variables:
B1=1.42545373
B2=1.69478285
B3=1.08713329
B4=1.08910888
B5=1.08910888
A1=109.10907761
A2=104.27606924
A3=111.26924043
A4=111.26924043
D1=180.
D2=61.49007969
D3=-61.49007969

1,2,3,4,5,6,0
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
****