%chk=H:\Chemistry Year 1\1styearlab\MShahid_h2_optf_pop.chk
# opt freq b3lyp/6-31g(d,p) geom=connectivity integral=grid=ultrafine
pop=(full,nbo)

h2 optimisation

0 1
 H                  0.00000000    0.00000000    0.65000000
 H                 -0.00000000    0.00000000   -0.65000000

 1 2 1.0
 2