PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
geci3 (cudkiv)
6156 GeCI3 (CUDKIV)
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ΔHf: -33.6 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
GeCI3 (CUDKIV)
H=-33.6 HR=PW91D
I 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Ge 2.36044951 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.93361804 +1 108.3045434 +1 0.0000000 +0 2 1 0
I 2.36164941 +1 110.8501425 +1 -118.2660315 +1 2 1 3
H 1.09096249 +1 110.1549774 +1 179.7731588 +1 3 2 1
H 1.09097498 +1 110.2125238 +1 120.0205072 +1 3 2 5
H 1.09102549 +1 110.1967658 +1 119.9965325 +1 3 2 6
I 2.36388964 +1 110.7280836 +1 -123.3909894 +1 2 1 4