PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
sn(iv)cl6(2-) (amclsn10)
5583 Sn(IV)Cl6(2-) (AMCLSN10)
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ΔHf: -241.7 kcal/mol, REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
CHARGE=-2 PM7
Sn(IV)Cl6(2-) (AMCLSN10)
H=-241.7 HR=PW91D
Sn 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Cl 2.41976493 +1 0.0000000 +0 0.0000000 +0 1 0 0
Cl 2.41988488 +1 89.8888601 +1 0.0000000 +0 1 2 0
Cl 2.41978542 +1 90.0824814 +1 90.0326066 +1 1 2 3
Cl 2.41983642 +1 89.9788859 +1 179.8810683 +1 1 4 2
Cl 2.41963605 +1 90.0753240 +1 179.9028354 +1 1 2 3
Cl 2.41989625 +1 89.9662388 +1 89.9399085 +1 1 2 6