%chk=\\icnas4.cc.ic.ac.uk\sm6416\2nd Year Lab\SM6416_NH3BH3_631G_OPT_FREQ.chk
# opt freq b3lyp/6-31g(d,p) pop=(nbo,full) geom=connectivity
integral=grid=ultrafine gfprint

NH3BH3

0 1
 N                 -1.17718033    0.78947367    0.00000000
 H                 -1.51051366    0.31822734   -0.81658789
 H                 -1.51051366    0.31791098    0.81640524
 B                  0.40281967    0.78947367    0.00000000
 H                  0.79615300   -0.17388451   -0.55644398
 H                  0.79615300    1.75304738   -0.55607067
 H                 -1.51051366    1.73228270    0.00018265
 H                  0.79615300    0.78925814    1.11251465

 1 2 1.0 3 1.0 4 1.0 7 1.0
 2
 3
 4 5 1.0 6 1.0 8 1.0
 5
 6
 7
 8