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

v2cl6r   3131 V2Cl6 (Geo)

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    #  Species Formula
  3121 V(IV)2O6 (BIWDIU) (Geo)C12H20O8V2
  3122 V(V)2O8N4 (CEKHUV) (Geo)C22H20N4O8V2
  3123 V(V)2O8N4 (CEKHUV)C22H20N4O8V2
  3124 V(V)2O10 (BAFNEB) (Geo)C14H26O10V2
  3125 V(IV)2F6O4(2-) (BAHLUR) (Geo)H4O4F6V2
  3126 V2C10O8 (CPVFAC) (Geo)C18H10O8F12V2
  3127 V(III)2S8Cl2 (ALACIZ) (Geo)C28H24S8Cl2V2
  3128 Vanadium(II) chloride, dimerCl4V2
  3129 Vanadium(II) chloride, dimer (Geo)Cl4V2
  3130 V2Cl6Cl6V2
  3131 V2Cl6 (Geo) Cl6V2
  3132 V(IV)2Cl9(-) (DOTPAD) (Geo)Cl9V2
  3133 V(IV)2Cl9(-) (DOTPAD)Cl9V2
  3134 Chromium, cationCr
  3135 Chromium, atomCr
  3136 Chromium, anionCr
  3137 Cr(III)C6(3-) (MCRLDX) (Geo)C6H18Cr
  3138 Bicyclopentadienyl chromiumC10H10Cr
  3139 Dibenzene chromiumC12H12Cr
  3140 Cr(II)(NH3)6H18N6Cr
  3141 Cr(II)(NH3)6 (Geo)H18N6Cr


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.
  
 UHF PM7
V2Cl6
 <V-V> <V-Cl(br)><> <><><> <V-Cl(ter)> GR=PW91D
  V     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  V     3.47605300 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.33505400 +1   46.0298134 +1    0.0000000 +0     2     1     0
 Cl     2.28230446 +1   46.5770040 +1  179.8812082 +1     2     1     3
 Cl     2.16142300 +1  100.7694495 +1   90.5540613 +1     1     2     3
 Cl     2.18040668 +1   99.8080009 +1  178.9794707 +1     1     2     5
 Cl     2.08761956 +1  116.7620333 +1  -92.9965948 +1     2     1     4
 Cl     2.08791439 +1  116.7284148 +1 -174.0590135 +1     2     1     7