|
SHIFT=80 PM7 Vanadium(III) tribromide H=-43.5 HR=PW91D V 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 Br 2.24120689 +1 0.0000000 +0 0.0000000 +0 1 0 0 Br 2.24119926 +1 120.0304577 +1 0.0000000 +0 1 2 0 Br 2.24114505 +1 119.9795397 +1 -179.9674153 +1 1 2 3