PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
scandium(ii) tetrachloride 2e
2867 Scandium(II) tetrachloride 2E
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For electronic state 1,2,E
ΔHf: 0.0 kcal/mol, REF: Presumed ground state.
SHIFT=80 SYMMETRY CHARGE=-2 OPEN(1,9) MECI ALLVECS PM7
Scandium(II) tetrachloride 2E
ROOT=1,2,E H=0 HR=GS
Cl 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Sc 2.56537166 +1 0.0000000 +0 0.0000000 +0 1 0 0
Cl 2.56537166 +1 109.4712210 +1 0.0000000 +0 2 1 0
Cl 2.56537166 +1 109.4712210 +1 120.0000000 +1 2 1 3
Cl 2.56537166 +1 109.4712210 +1 -120.0000000 +1 2 1 3