PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
w2(co)10 dianion r
7408 W2(CO)10 dianion (Geo)
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REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
CHARGE=-2 SYMMETRY PULAY PM7
W2(CO)10 dianion
<W-W> <W-C(eq)> <W-W-C> GR=PW91D
W 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
W 3.44416300 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 2.06041700 +1 83.9524130 +1 0.0000000 +0 2 1 0
C 2.06041700 +0 83.9524130 +0 90.0000000 +0 2 1 3
C 2.06041700 +0 83.9524130 +0 90.0000000 +0 2 1 4
C 2.06041700 +0 83.9524130 +0 90.0000000 +0 2 1 5
C 2.06041700 +0 83.9524130 +0 45.0000000 +0 1 2 3
C 2.06041700 +0 83.9524130 +0 90.0000000 +0 1 2 7
C 2.06041700 +0 83.9524130 +0 90.0000000 +0 1 2 8
C 2.06041700 +0 83.9524130 +0 90.0000000 +0 1 2 9
C 2.02905319 +1 180.0000000 +0 180.0000000 +0 1 2 3
C 2.02905319 +0 180.0000000 +0 180.0000000 +0 2 1 3
O 1.16792344 +1 120.0177373 +1 180.0000000 +0 3 1 2
O 1.16792344 +0 120.0177373 +0 180.0000000 +0 4 1 2
O 1.16792344 +0 120.0177373 +0 180.0000000 +0 5 1 2
O 1.16792344 +0 120.0177373 +0 180.0000000 +0 6 1 2
O 1.17179746 +1 180.0000000 +0 0.0000000 +0 12 2 5
O 1.16792344 +0 120.0177373 +0 180.0000000 +0 7 2 1
O 1.16792344 +0 120.0177373 +0 180.0000000 +0 8 2 1
O 1.16792344 +0 120.0177373 +0 180.0000000 +0 9 2 1
O 1.16792344 +0 120.0177373 +0 180.0000000 +0 10 2 1
O 1.17179746 +0 180.0000000 +0 0.0000000 +0 11 1 7