PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
ti(ii)f6
2938 d2 [Ti(II)F6]4- 3T1g
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For electronic state 1,3,T1G
ΔHf: 0.0 kcal/mol, REF: C. K. Joergensen, "Absorption Spectra and Chemical Bonding in Complexes", Pergamon Press, London, 1962.
ALLVECS OPEN(2,9) MECI CHARGE=-4 SYMMETRY PM7
d2 [Ti(II)F6]4- 3T1g
H=0.0 HR=CKJ62 ROOT=1,3,T1G
F 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Ti 2.17092919 +1 0.0000000 +0 0.0000000 +0 1 0 0
F 2.17092919 +1 90.0000000 +1 0.0000000 +0 2 1 0
F 2.17092919 +1 90.0000000 +1 180.0000000 +1 2 3 1
F 2.17092919 +1 90.0000000 +1 180.0000000 +1 2 4 3
F 2.17092919 +1 90.0000000 +1 90.0000000 +1 2 3 4
F 2.17092919 +1 90.0000000 +1 -90.0000000 +1 2 3 4