|
PM7 Scandium F Cl Br <Sc-F> <Sc-Cl><> <Sc-Br> GR=B88_LYP F 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 Sc 1.85100000 +1 0.0000000 +0 0.0000000 +0 1 0 0 Cl 2.32000000 +1 117.1633220 +1 0.0000000 +0 2 1 0 Br 2.46200000 +1 121.3278416 +1 180.0000000 +1 2 1 3