Accuracy

in(iii)c2cl2(-) (aqifel)   5454 In(III)C2Cl2(-) (AQIFEL)

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    #  Species Formula
  5444 InF2(CH3S)CH3F2SIn
  5445 InF2(CH3S) (Geo)CH3F2SIn
  5446 InF2(Me2S)(+)C2H6F2SIn
  5447 InF2(Me2S)(+) (Geo)C2H6F2SIn
  5448 Indium chloride, cationClIn
  5449 Indium chloride (Geo)ClIn
  5450 Indium chlorideClIn
  5451 In(III)S2N2Cl (TUPBAH) (Geo)C10H22N2S2ClIn
  5452 In(III)S2N2Cl (TUPBAH)C10H22N2S2ClIn
  5453 In(III)C2Cl2(-) (AQIFEL) (Geo)C2H6Cl2In
  5454 In(III)C2Cl2(-) (AQIFEL) C2H6Cl2In
  5455 In(III)Cl2O2N2 (CAKCAS) (Geo)C17H15N2O2Cl2In
  5456 In(III)Cl2O2N2 (CAKCAS)C17H15N2O2Cl2In
  5457 Indium trichloride (Geo)Cl3In
  5458 Indium trichlorideCl3In
  5459 In(III)O2Cl3 (VUKKOB) (Geo)H4O2Cl3In
  5460 In(III)Cl6(3-) (FUVCAA) (Geo)Cl6In
  5461 In(III)Cl6(3-) (FUVCAA)Cl6In
  5462 InH3-GaH3, complex (Geo)H6GaIn
  5463 Indium selenideSeIn
  5464 Indium selenide, complex (Geo)SeIn


ΔHf: -127.4 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 PM7
In(III)C2Cl2(-) (AQIFEL)
 H=-127.4 HR=PW91D
 In     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.45527130 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.45546275 +1  109.3142604 +1    0.0000000 +0     1     2     0
  C     2.18273936 +1  108.5875038 +1 -118.5553586 +1     1     2     3
  H     1.08320147 +1  109.7083904 +1 -164.1429159 +1     4     1     2
  H     1.08441796 +1  109.4831200 +1 -119.9753567 +1     4     1     5
  H     1.08394790 +1  109.3097301 +1 -119.7255787 +1     4     1     6
  C     2.18296957 +1  108.7519778 +1 -122.7628558 +1     1     2     4
  H     1.08337541 +1  109.5987738 +1   64.1527524 +1     8     1     2
  H     1.08426742 +1  109.5786736 +1 -119.9806766 +1     8     1     9
  H     1.08375212 +1  109.2890491 +1 -119.7624556 +1     8     1    10