PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
hg(ii)ccl (clhgma)
7972 Hg(II)CCl (CLHGMA)
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ΔHf: -18.1 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.
PM7
Hg(II)CCl (CLHGMA)
H=-18.1 HR=PW91D
Hg 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Cl 2.28814576 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 2.04064217 +1 178.0457531 +1 0.0000000 +0 1 2 0
Hg 2.03991204 +1 108.3644815 +1 -179.4512836 +1 3 1 2
Cl 2.28778464 +1 146.1738779 +1 179.9355974 +1 4 1 3
H 1.11341194 +1 110.7902313 +1 121.6076293 +1 3 1 4
H 1.11288606 +1 110.9855375 +1 116.5063392 +1 3 1 6