PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
znpr2r
3716 Di-n-propylzinc (Geo)
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REF: A. Almenningen, T. U. Halgaker, A. Haaland, S. Samdal, Acta Chem. Scand., Part A. A36, 159 (1982).
PM7
Di-n-propylzinc
<> <> <C-C-C> <Zn-C> <Zn-C-C> <> <> <C-Zn-C> GR=AHHS1982
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.53632363 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.51655237 +1 113.6000000 +1 0.0000000 +0 2 1 0
Zn 1.95200000 +1 114.5000000 +1 -179.7466116 +1 3 2 1
C 2.00543903 +1 180.0000000 +1 -24.7134513 +1 4 3 2
C 1.51756611 +1 113.5499625 +1 165.6547025 +1 5 4 2
C 1.53833040 +1 111.0680465 +1 179.7374002 +1 6 5 4
H 1.09308025 +1 111.5116434 +1 179.8620403 +1 7 6 5
H 1.09431102 +1 110.9705242 +1 59.5104622 +1 7 6 5
H 1.09430767 +1 110.9823485 +1 -59.7749447 +1 7 6 5
H 1.10740492 +1 110.9261867 +1 58.6078941 +1 6 5 4
H 1.10746292 +1 110.8888642 +1 -59.1550414 +1 6 5 4
H 1.09146299 +1 105.5950831 +1 98.6636983 +1 5 4 11
H 1.09150464 +1 105.5632682 +1 -146.9269318 +1 5 4 11
H 1.09553860 +1 111.4307642 +1 60.1916070 +1 3 2 1
H 1.09561692 +1 111.4177716 +1 -59.7401987 +1 3 2 1
H 1.11006173 +1 110.3908882 +1 58.5310844 +1 2 3 4
H 1.11006991 +1 110.4028143 +1 -57.9684247 +1 2 3 4
H 1.09286820 +1 111.4038397 +1 -179.7506560 +1 1 2 3
H 1.09443163 +1 111.0140691 +1 59.8733325 +1 1 2 3
H 1.09445251 +1 111.0190562 +1 -59.3691338 +1 1 2 3