# B1LYP/GEN prop scf=tight

ClN3 ro Cook and Gerry 1970

0 1
Cl
N 1 B1
N 2 B2 1 A1
N 3 B3 2 A2 1 180.
Variables:
B1=1.745
B2=1.252
B3=1.133
A1=108.67
A2=171.93

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
****