PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
pb(iv)cl2.2(h2s)
8126 Pb(IV)Cl2.2(H2S)
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ΔHf: 453.7 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
Pb(IV)Cl2.2(H2S)
H=453.7 HR=PW91D
Cl 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Pb 2.12393369 +1 0.0000000 +0 0.0000000 +0 1 0 0
S 2.58318261 +1 105.7843681 +1 0.0000000 +0 2 1 0
S 2.61222213 +1 105.9379429 +1 115.4051944 +1 2 1 3
Cl 2.11785646 +1 122.0669555 +1 122.7035496 +1 2 1 4
H 1.34534004 +1 101.6320651 +1 158.3730231 +1 3 2 1
H 1.34609633 +1 101.2033925 +1 -101.3031702 +1 3 2 6
H 1.35114720 +1 100.3206739 +1 19.5220826 +1 4 2 1
H 1.35075522 +1 100.5862397 +1 100.9200261 +1 4 2 8