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$ RunGauss
#hf/sto-3g opt gfinput iop(6/7=1)

benzene sto3g demonstration
 
0 1
x
x 1 1.0
c 2 cx  1 90.0
c 2 cx  1 90.0   3 60.0
c 2 cx  1 90.0   3 120.0
c 2 cx  1 90.0   3 180.0
c 2 cx  1 90.0   3 240.0
c 2 cx  1 90.0   3 300.0
h 2 hx  1 90.0   3 0.0
h 2 hx  1 90.0   3 60.0
h 2 hx  1 90.0   3 120.0
h 2 hx  1 90.0   3 180.0
h 2 hx  1 90.0   3 240.0
h 2 hx  1 90.0   3 300.0

cx 1.200 
hx 2.300

Modified: Wed Feb 7 17:00:00 1996 GMT
Page accessed 5381 times since Sat Apr 17 22:01:46 1999 GMT