PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

mo2(co)10 dianion r   4907 Mo2(CO)10 dianion (Geo)

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    #  Species Formula
  4897 Mo(III)Br4S2(-) (CUVTUI)C4H12S2Br4Mo
  4898 Mo(VI)Br6 d0 (Geo)Br6Mo
  4899 Mo2C17 (ALLCPM10) (Geo)C17H14O4Mo2
  4900 Mo2C17 (ALLCPM10)C17H14O4Mo2
  4901 Mo2O6O6Mo2
  4902 Molybdenum trioxide, dimerO6Mo2
  4903 Molybdenum acetate (Geo)C8H12O8Mo2
  4904 Mo2(Acet)4C8H12O8Mo2
  4905 Molybdenum diacetate, dimer (Geo)C8H12O8Mo2
  4906 Molybdenum diacetate, dimerC8H12O8Mo2
  4907 Mo2(CO)10 dianion (Geo) C10O10Mo2
  4908 Mo2(CO)10 dianionC10O10Mo2
  4909 Mo2Cl6O2(2-) (BELWAQ) (Geo)O2Cl6Mo2
  4910 Mo(III)2Cl9(3-) (FAFSOU01) (Geo)Cl9Mo2
  4911 Mo(III)2Cl9(3-) (FAFSOU01)Cl9Mo2
  4912 Mo2Br6O2(2-) (BELWEU) (Geo)O2Br6Mo2
  4913 Mo2Br6O2(2-) (BELWEU)O2Br6Mo2
  4914 Mo2Br9, trianion (Geo)Br9Mo2
  4915 Technetium, 8P(u) stateTc
  4916 Technetium, atomTc
  4917 Tc(Cp)(C6H6)C11H11Tc


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 SHIFT=80 PM7
Mo2(CO)10 dianion
 <Mo-Mo> <Mo-C(eq)> <Mo-Mo-C> <Mo-C(ax)> <C(eq)=O> <Mo-C(eq)=O)> <C(ax)=O> GR=PW91D
 Mo     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Mo     3.36151100 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     2.05605400 +1   87.4907340 +1    0.0000000 +0     2     1     0
  C     2.05605400 +0   87.4907340 +0   90.0000000 +0     2     1     3
  C     2.05605400 +0   87.4907340 +0   90.0000000 +0     2     1     4
  C     2.05605400 +0   87.4907340 +0   90.0000000 +0     2     1     5
  C     2.05605400 +0   87.4907340 +0   45.0000000 +0     1     2     3
  C     2.05605400 +0   87.4907340 +0   90.0000000 +0     1     2     7
  C     2.05605400 +0   87.4907340 +0   90.0000000 +0     1     2     8
  C     2.05605400 +0   87.4907340 +0   90.0000000 +0     1     2     9
  C     1.96460300 +1  180.0000000 +0  180.0000000 +0     1     2     3
  C     1.96460300 +0  180.0000000 +0  180.0000000 +0     2     1     3
  O     1.18325100 +1  123.5653780 +1  180.0000000 +0     3     1     2
  O     1.18325100 +0  123.5653780 +0  180.0000000 +0     4     1     2
  O     1.18325100 +0  123.5653780 +0  180.0000000 +0     5     1     2
  O     1.18325100 +0  123.5653780 +0  180.0000000 +0     6     1     2
  O     1.19608200 +1  180.0000000 +0    0.0000000 +0    12     2     5
  O     1.18325100 +0  123.5653780 +0  180.0000000 +0     7     2     1
  O     1.18325100 +0  123.5653780 +0  180.0000000 +0     8     2     1
  O     1.18325100 +0  123.5653780 +0  180.0000000 +0     9     2     1
  O     1.18325100 +0  123.5653780 +0  180.0000000 +0    10     2     1
  O     1.19632400 +0  180.0000000 +0    0.0000000 +0    11     1     7