Accuracy

inf2(ch3s)   5444 InF2(CH3S)

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    #  Species Formula
  5434 Indium fluorideFIn
  5435 Indium fluoride (Geo)FIn
  5436 In(III)F2C2(-) (CUPRIO) (Geo)C2H6F2In
  5437 In(III)F2C2(-) (CUPRIO)C2H6F2In
  5438 Indium trifluorideF3In
  5439 Indium trifluoride (Geo)F3In
  5440 In(III)F6(3-) (LORCIE) (Geo)F6In
  5441 In(III)F6(3-) (LORCIE)F6In
  5442 In(III)C3P (FOBFAE) (Geo)C6H18PIn
  5443 Indium(II) sulfideSIn
  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


ΔHf: -134.0 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.
Dipole: 4.0 Debye,     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.
  
 SHIFT=80 PULAY PM7
InF2(CH3S)
 H=-134.0 HR=PW91D D=4.0 DR=PW91D
 In     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  F     1.90599181 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     1.90561160 +1  125.7678458 +1    0.0000000 +0     1     2     0
  S     2.44458956 +1  117.9820750 +1 -179.9799042 +1     1     2     3
  C     1.81924111 +1  106.2914866 +1   -0.1299452 +1     4     1     2
  H     1.09901843 +1  107.3644264 +1  179.8708563 +1     5     4     1
  H     1.09601798 +1  113.2099082 +1  118.2577428 +1     5     4     6
  H     1.09599380 +1  113.2515526 +1  123.3883250 +1     5     4     7