PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
in(iii)c2cl2(-) (aqifel)
5456 In(III)C2Cl2(-) (AQIFEL)
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ΔHf: -127.4 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=-1 PM7
In(III)C2Cl2(-) (AQIFEL)
H=-127.4 HR=PW91D
In 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Cl 2.45527130 +1 0.0000000 +0 0.0000000 +0 1 0 0
Cl 2.45546275 +1 109.3142604 +1 0.0000000 +0 1 2 0
C 2.18273936 +1 108.5875038 +1 -118.5553586 +1 1 2 3
H 1.08320147 +1 109.7083904 +1 -164.1429159 +1 4 1 2
H 1.08441796 +1 109.4831200 +1 -119.9753567 +1 4 1 5
H 1.08394790 +1 109.3097301 +1 -119.7255787 +1 4 1 6
C 2.18296957 +1 108.7519778 +1 -122.7628558 +1 1 2 4
H 1.08337541 +1 109.5987738 +1 64.1527524 +1 8 1 2
H 1.08426742 +1 109.5786736 +1 -119.9806766 +1 8 1 9
H 1.08375212 +1 109.2890491 +1 -119.7624556 +1 8 1 10