Accuracy
ti(iii)f6
2936 d1 [Ti(III)F6]3- 2T2g
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Geometry predicted using PM7
For electronic state 1,2,T2G
ΔHf: 0.0 kcal/mol, REF: C. K. Joergensen, "Absorption Spectra and Chemical Bonding in Complexes", Pergamon Press, London, 1962.
ALLVECS OPEN(1,9) MECI CHARGE=-3 SYMMETRY PM7
d1 [Ti(III)F6]3- 2T2g
H=0.0 HR=CKJ62 ROOT=1,2,T2G
F 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Ti 1.95148622 +1 0.0000000 +0 0.0000000 +0 1 0 0
F 1.95148622 +1 90.0000000 +1 0.0000000 +0 2 1 0
F 1.95148622 +1 90.0000000 +1 180.0000000 +1 2 3 1
F 1.95148622 +1 90.0000000 +1 180.0000000 +1 2 4 3
F 1.95148622 +1 90.0000000 +1 90.0000000 +1 2 3 4
F 1.95148622 +1 90.0000000 +1 -90.0000000 +1 2 3 4
2 1 3 4 5 6 7