%chk=YF_BH3_OPT_631g_D3H.chk # opt b3lyp/6-31g(d,p) geom=connectivity BH3 optimisation (D3H) 0 1 B 0.00000000 0.00000000 0.00000000 H 0.00000000 1.19307200 0.00000000 H 1.03323000 -0.59653600 0.00000000 H -1.03323000 -0.59653600 0.00000000 1 2 1.0 3 1.0 4 1.0 2 3 4