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# B1LYP/GEN prop scf=tight
NH2Cl ropt = MP2/aug-cc-pVTZ
0 1
Cl
N,1,B1
H,2,B2,1,A1
H,2,B3,1,A2,3,D1,0
Variables:
B1=1.74561319
B2=1.01670299
B3=1.01670299
A1=104.02514366
A2=104.02514366
D1=110.43936774
1,2,3,4,0
TZV
****
N
D 1 1.00
3.65200000
1.00000000
D 1 1.00
0.913000000 1.00000000
D 1 1.00
0.228250000 1.00000000
F 1 1.00
1.00000000
1.00000000
****
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
****
H
P 1 1.00
1.500000000 1.00000000
P 1 1.00
0.375000000 1.00000000
****
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