$contrl scftyp=rhf runtyp=energy coord=zmt $end $basis gbasis=n21 ngauss=3 $end $nbo $end $data Methylamine...RHF/3-21G//Pople-Gordon standard geometry Cs C N 1 1.47 H 1 1.09 2 109.4712 H 1 1.09 2 109.4712 3 120. 0 H 1 1.09 2 109.4712 3 240. 0 H 2 1.01 1 109.4712 3 60. 0 H 2 1.01 1 109.4712 3 300. 0 $end