Accuracy

cr2(co)10 dianion   3227 Cr2(CO)10 dianion

(Previous)     (Back)     (Next)         Geometry predicted using PM7

    

    #  Species Formula
  3217 KCrO4(-)O4KCr
  3218 Chromium, dimerCr2
  3219 Chromium, dimer (Geo)Cr2
  3220 Cr2(Cp)2(NO)3(NH2) (Geo)C10H12N4O3Cr2
  3221 (Cp)2Cr2(NO)4C10H10N4O4Cr2
  3222 (Cp)2Cr2(NO)4 (Geo)C10H10N4O4Cr2
  3223 Tetrakis(mu-(6-methyl-2(1H)-pyridinato) dichromiumC24H24N4O4Cr2
  3224 Dichromate ion (Geo)O7Cr2
  3225 Chromium diacetate, dimerC8H12O8Cr2
  3226 Cr2(CO)10 dianion (Geo)C10O10Cr2
  3227 Cr2(CO)10 dianion C10O10Cr2
  3228 Cr(II)2O10(0) (ACETCR) (Geo)C12H20O12Cr2
  3229 Cr(III)2Cl9 (ZEBRON) (Geo)Cl9Cr2
  3230 Trichromate ion (Geo)O10Cr3
  3231 Manganese, cationMn
  3232 Manganese, atomMn
  3233 Bicyclopentadienyl manganeseC10H10Mn
  3234 Manganese(III) nitrideNMn
  3235 Manganese(III) nitride (Geo)NMn
  3236 Mn(II)(NH3)6H18N6Mn
  3237 Mn(II)(NH3)6 (Geo)H18N6Mn


ΔHf: -423.9 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=-2 PULAY PM7
Cr2(CO)10 dianion
 H=-423.9 HR=PW91D
 Cr     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cr     3.03149039 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.94071450 +1  139.3815243 +1    0.0000000 +0     2     1     0
  C     2.89501079 +1   52.9322951 +1    0.5642718 +1     2     1     3
  C     2.46077809 +1   46.9899846 +1   41.4930741 +1     2     1     4
  C     1.87355871 +1  118.0154897 +1 -168.1746929 +1     2     1     5
  C     2.25003651 +1   53.0734798 +1   40.9276569 +1     1     2     3
  C     2.22322492 +1   46.6497365 +1  138.8622575 +1     1     2     7
  C     1.87977378 +1  118.2611704 +1   51.7252695 +1     1     2     8
  C     1.91951776 +1  142.2216803 +1  128.2275758 +1     1     2     9
  C     1.87979929 +1   87.6514010 +1 -135.6460867 +1     1    10     2
  C     1.87351496 +1   90.1152993 +1  122.6232000 +1     2     6     1
  O     1.17033528 +1  158.7008301 +1  179.6014288 +1     3     1     2
  O     1.21691899 +1  131.7725329 +1  179.9482921 +1     4     1     2
  O     1.22960381 +1  139.8731715 +1  -44.0920286 +1     5     1     2
  O     1.18155349 +1  144.4145923 +1  176.6621374 +1     6     1     2
  O     1.18151819 +1  175.9872481 +1 -152.3589714 +1    12     2     5
  O     1.22940042 +1   71.2233813 +1 -151.6018594 +1     7     2     1
  O     1.17129130 +1  136.9036016 +1  179.9978163 +1     8     2     1
  O     1.18518426 +1  144.1081305 +1  179.1265233 +1     9     2     1
  O     1.17421813 +1  161.7115768 +1 -179.5940137 +1    10     2     1
  O     1.18528256 +1  177.2533895 +1  -54.6887148 +1    11     1    10