%chk=D:\DFT\mobious\NH3 geo freq.chk # opt freq b3lyp/6-31g(d) geom=connectivity Title Card Required 0 1 N -4.52606640 -0.10268562 0.00000000 H -3.59974823 0.27405652 0.00000000 H -5.31549376 0.51115837 0.00000000 H -4.66295722 -1.09327176 0.00000000 1 2 1.0 3 1.0 4 1.0 2 3 4