|
SYMMETRY SHIFT=80 UHF RELSCF=0.1 TRIPLET PM7 Germanium dibromide <Ge-Br> <Br-Ge-Br> GR=STHK1982 GWT=0.25 Br 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 Ge 2.33700000 +1 0.0000000 +0 0.0000000 +0 1 0 0 Br 2.33700000 +0 101.2000000 +1 0.0000000 +0 2 1 0