PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
znet2r
3711 Diethylzinc (Geo)
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REF: A. Almenningen, T. U. Halgaker, A. Haaland, S. Samdal, Acta Chem. Scand., Part A. A36, 159 (1982).
PM7
Diethylzinc
< > <Zn-C> <C-C-Zn> < > <C-Zn-C> GR=AHHS1982
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.51899529 +1 0.0000000 +0 0.0000000 +0 1 0 0
Zn 1.95000000 +1 114.5000000 +1 0.0000000 +0 2 1 0
C 2.00555856 +1 180.0000000 +1 -12.4839972 +1 3 2 1
C 1.51658444 +1 113.3822756 +1 163.0489340 +1 4 3 1
H 1.09938284 +1 110.8700759 +1 -179.8514837 +1 5 4 3
H 1.09604585 +1 112.2650596 +1 61.0264470 +1 5 4 3
H 1.09606796 +1 112.2769732 +1 -60.7228566 +1 5 4 3
H 1.09143868 +1 105.5696976 +1 40.3600626 +1 4 3 1
H 1.09132928 +1 105.6564829 +1 -74.2197760 +1 4 3 1
H 1.09466285 +1 105.6788439 +1 40.1706237 +1 2 3 5
H 1.09457584 +1 105.7613699 +1 -74.0453422 +1 2 3 5
H 1.09924365 +1 110.8556793 +1 -179.7306387 +1 1 2 3
H 1.09618585 +1 112.2766498 +1 61.1411830 +1 1 2 3
H 1.09621173 +1 112.2962553 +1 -60.5897068 +1 1 2 3