PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
cr(co)6r
3176 Chromium hexacarbonyl (Geo)
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REF: Inorganic Crystal Structure Database. FIZ Karlsruhe, 2012
SYMMETRY PULAY PM7
Chromium hexacarbonyl
<Cr-C> GR=ICSD GWT=0.166
Cr 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.91600000 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.91600000 +0 90.0000000 +0 0.0000000 +0 1 2 0
C 1.91600000 +0 90.0000000 +0 180.0000000 +0 1 2 3
C 1.91600000 +0 180.0000000 +0 0.0000000 +0 1 2 3
C 1.91600000 +0 90.0000000 +0 90.0000000 +0 1 2 3
C 1.91600000 +0 90.0000000 +0 -90.0000000 +0 1 2 3
O 1.16051349 +1 180.0000000 +1 0.0000000 +1 2 1 3
O 1.16051349 +1 180.0000000 +1 0.0000000 +1 4 1 2
O 1.16051349 +1 180.0000000 +1 0.0000000 +1 5 1 3
O 1.16051349 +1 180.0000000 +1 0.0000000 +1 6 1 3
O 1.16051349 +1 180.0000000 +1 0.0000000 +1 7 1 3
O 1.16051349 +1 180.0000000 +1 0.0000000 +1 3 1 2