%chk=H:\1styearlab\TWest_h2_optf_pop.chk
# opt freq b3lyp/6-31g(d,p) geom=connectivity integral=grid=ultrafine
pop=(full,nbo)

H2 Optimisation

0 1
 H                 -5.06369311    0.54179566   -0.14830902
 H                 -5.66369311    0.54179566   -0.14830902

 1 2 1.0
 2