Accuracy
ni(co)4r
3530 Ni(CO)4 (Geo)
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REF: L. Hedberg, T. Ijima, K. Hedberg, J. Chem. Phys., 70, 3224 (1979).
SHIFT=10 PULAY SHIFT=80 PM7
Ni(CO)4
<Ni-C> GR=HIH79
Ni 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.83800000 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.64737900 +0 109.4712210 +0 0.0000000 +0 1 2 0
C 1.64737900 +0 109.4712210 +0 120.0000000 +0 1 2 3
C 1.64737900 +0 109.4712210 +0 -120.0000000 +0 1 2 3
O 1.14532537 +1 180.0000000 +0 0.0000000 +0 2 1 3
O 1.19404900 +0 180.0000000 +0 0.0000000 +0 3 1 2
O 1.19404900 +0 180.0000000 +0 0.0000000 +0 4 1 3
O 1.19404900 +0 180.0000000 +0 0.0000000 +0 5 1 2