Accuracy

V(IV)2Cl9(-) (DOTPAD)   3132 V(IV)2Cl9(-) (DOTPAD)

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    #  Species Formula
  3122 V(V)2O8N4 (CEKHUV)C22H20N4O8V2
  3123 V(V)2O10 (BAFNEB) (Geo)C14H26O10V2
  3124 V(IV)2F6O4(2-) (BAHLUR) (Geo)H4O4F6V2
  3125 V2C10O8 (CPVFAC) (Geo)C18H10O8F12V2
  3126 V(III)2S8Cl2 (ALACIZ) (Geo)C28H24S8Cl2V2
  3127 Vanadium(II) chloride, dimerCl4V2
  3128 Vanadium(II) chloride, dimer (Geo)Cl4V2
  3129 V2Cl6Cl6V2
  3130 V2Cl6 (Geo)Cl6V2
  3131 V(IV)2Cl9(-) (DOTPAD) (Geo)Cl9V2
  3132 V(IV)2Cl9(-) (DOTPAD) Cl9V2
  3133 Chromium, cationCr
  3134 Chromium, atomCr
  3135 Chromium, anionCr
  3136 Cr(III)C6(3-) (MCRLDX) (Geo)C6H18Cr
  3137 Bicyclopentadienyl chromiumC10H10Cr
  3138 Dibenzene chromiumC12H12Cr
  3139 Cr(II)(NH3)6H18N6Cr
  3140 Cr(II)(NH3)6 (Geo)H18N6Cr
  3141 Cr(III)N6 (SUKFEJ) (Geo)C12H30N6Cr
  3142 Cr(III)N6(3+) (SUKFEJ)C12H30N6Cr


ΔHf: -350.1 kcal/mol,     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=-1 OPEN(2,10) TRIPLET PM7
V(IV)2Cl9(-) (DOTPAD)
 H=-350.1 HR=PW91D
  V     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.21776280 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.21665234 +1   95.2406143 +1    0.0000000 +0     1     2     0
 Cl     2.21834715 +1   94.5636372 +1  -95.4420514 +1     1     2     3
 Cl     2.41908542 +1   89.4551098 +1  -89.8111129 +1     1     2     4
 Cl     2.41564949 +1  173.0047675 +1  -34.1666273 +1     1     2     5
 Cl     2.41170734 +1   90.3295736 +1  -50.7819205 +1     1     2     6
  V     2.41578873 +1   77.4579972 +1   -8.4856509 +1     6     1     2
 Cl     2.21774191 +1   89.6364212 +1 -132.1762374 +1     8     6     1
 Cl     2.21676562 +1  173.0218618 +1  129.8402279 +1     8     6     9
 Cl     2.21678067 +1   89.8927142 +1  135.1744580 +1     8     6    10