# B1LYP/GEN prop scf=tight
CH32CHCl rmrho Meyer et al 1992.
Derived
from cartesian
coordinates given in Table XV
0 1
Cl
C 1 B1
C
2 B2 1 A1
C
2 B3 1 A2 3 D1
H
2 B4 1 A3 4 D2
H
3 B5 2 A4 1 D3
H
4 B6 2 A5 1 D4
H
3 B7 2 A6 1 D5
H
4 B8 2 A7 1 D6
H
3 B9 2 A8 1 D7
H
4
B10 2 A9 1 D8
B1
1.79646669
B2 1.51753208
B3
1.51753208
B4
1.09318664
B5
1.09196173
B6
1.09196173
B7
1.09898844
B8
1.09898844
B9
1.09082905
B10
1.09082905
A1
109.27658459
A2
109.27658459
A3
105.42377368
A4
110.73154691
A5
110.73154691
A6
108.70917774
A7
108.70917774
A8
109.87316059
A9
109.87316059
D1 123.51104552
D2
118.24447724
D3
-57.40823898
D4
57.40823898
D5
-176.64043232
D6
176.64043232
D7
62.53382237
D8
-62.53382237
1,2,3,4,5,6,7,8,9,10,11,0
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
****