PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
cdn4c4s4r
5378 Cd(NCS)3(SCN) (=) (Geo)
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REF: K. Ozutsumi, T. Takamuka, S. Ishiguko, H. Ohtaki, Bull. Chem. Soc. Japan, 62, 1875 (1989).
CHARGE=-2 PM7
Cd(NCS)3(SCN) (=)
<Cd-N> <Cd-S> GR=OTIO1989
N 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Cd 2.24000000 +1 0.0000000 +0 0.0000000 +0 1 0 0
XX 2.00000000 +0 90.0000000 +0 0.0000000 +0 1 2 0
S 2.57000000 +1 101.0544348 +1 180.0000000 +0 2 1 3
N 1.97751646 +1 106.5305292 +1 -60.4115528 +1 2 1 3
N 1.97729877 +1 106.7587743 +1 60.1961532 +1 2 1 3
C 1.16940185 +1 179.5127708 +1 -105.3044986 +1 1 2 3
C 1.67775307 +1 104.6021781 +1 177.9388987 +1 4 2 1
C 1.17511640 +1 179.8465837 +1 37.6853897 +1 5 2 1
C 1.17519238 +1 178.5918390 +1 70.6435536 +1 6 2 1
S 1.63453114 +1 179.9733330 +1 -106.6708578 +1 7 1 3
N 1.16415635 +1 175.1314534 +1 179.5244446 +1 8 4 2
S 1.62177111 +1 179.8827690 +1 -110.5331894 +1 9 5 3
S 1.62174441 +1 179.6089406 +1 -88.4659546 +1 10 6 5