|
PULAY SHIFT=80 UHF SYMMETRY PM7 Vanadium(II) chloride, dimer <V-Cl(t)> <V-Cl(b)> <> <Cl(b)-V-Cl(b)> GR=HIKL1992 Cl 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 V 2.17200000 +1 0.0000000 +0 0.0000000 +0 1 0 0 Cl 2.34100000 +1 154.5042792 +1 0.0000000 +0 2 1 0 Cl 2.34100000 +0 98.1000000 +1 180.0000000 +0 2 3 1 V 2.34100000 +0 80.2060632 +1 0.0000000 +0 4 2 3 Cl 2.17200000 +0 180.0000000 +0 0.0000000 +0 5 2 3 2 1 6 3 1 4 5