%chk=\\icnas1.cc.ic.ac.uk\im3117\Documents\Year_2\Labs\Term_3\3rdyearlab\NH3\NH3_OPT_1.chk
# opt freq b3lyp/gen geom=connectivity gfinput pseudo=read

NI3 Optimisation

0 1
 N                  0.00000000    0.00000000    0.11923400
 I                 -1.61850239   -0.93444412   -0.67333411
 I                  0.00000000    1.86888624   -0.67333411
 I                  1.61850239   -0.93444412   -0.67333411

 1 2 1.0 3 1.0 4 1.0
 2
 3
 4

N 0
6-31G(d,p)
****
I 0
LanL2DZ
****

I 0
LanL2DZ




