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

in(iii)cl2o2n2 (cakcas)   5458 In(III)Cl2O2N2 (CAKCAS)

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    #  Species Formula
  5448 InF2(Me2S)(+)C2H6F2SIn
  5449 InF2(Me2S)(+) (Geo)C2H6F2SIn
  5450 Indium chloride, cationClIn
  5451 Indium chloride (Geo)ClIn
  5452 Indium chlorideClIn
  5453 In(III)S2N2Cl (TUPBAH) (Geo)C10H22N2S2ClIn
  5454 In(III)S2N2Cl (TUPBAH)C10H22N2S2ClIn
  5455 In(III)C2Cl2(-) (AQIFEL) (Geo)C2H6Cl2In
  5456 In(III)C2Cl2(-) (AQIFEL)C2H6Cl2In
  5457 In(III)Cl2O2N2 (CAKCAS) (Geo)C17H15N2O2Cl2In
  5458 In(III)Cl2O2N2 (CAKCAS) C17H15N2O2Cl2In
  5459 Indium trichloride (Geo)Cl3In
  5460 Indium trichlorideCl3In
  5461 In(III)O2Cl3 (VUKKOB) (Geo)H4O2Cl3In
  5462 In(III)Cl6(3-) (FUVCAA) (Geo)Cl6In
  5463 In(III)Cl6(3-) (FUVCAA)Cl6In
  5464 InH3-GaH3, complex (Geo)H6GaIn
  5465 Indium selenideSeIn
  5466 Indium selenide, complex (Geo)SeIn
  5467 Indium bromide (Geo)BrIn
  5468 Indium bromideBrIn


ΔHf: -121.1 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.
  
 PM7
In(III)Cl2O2N2 (CAKCAS)
 H=-121.1 HR=PW91D
 In     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.41024700 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.41114042 +1  116.2896546 +1    0.0000000 +0     1     2     0
  O     2.31668871 +1   97.2438048 +1 -165.6872391 +1     1     2     3
  O     2.14586054 +1   62.1231159 +1 -152.8312642 +1     4     1     2
  N     2.29474946 +1   86.8242030 +1   76.5684266 +1     1     2     4
  N     2.29948464 +1   90.6114503 +1  175.0012864 +1     1     2     6
  C     1.27077194 +1   32.3146615 +1  179.6966035 +1     5     4     1
  C     1.46736580 +1  122.2879868 +1  179.6902076 +1     8     5     4
  C     1.39592272 +1  119.6401752 +1  172.8936161 +1     9     8     5
  C     1.39249989 +1  119.4998388 +1  179.8503254 +1    10     9     8
  C     1.39464736 +1  119.9402239 +1   -0.0373378 +1    11    10     9
  C     1.39474103 +1  120.3909690 +1    0.0581172 +1    12    11    10
  C     1.39604995 +1  119.6206396 +1  179.8992815 +1     9     8    10
  C     1.35580479 +1  117.6021859 +1  -56.6863570 +1     6     1     2
  C     1.39903791 +1  121.9816552 +1  178.8035118 +1    15     6     1
  C     1.39170629 +1  119.2091222 +1   -0.0626569 +1    16    15     6
  C     1.39283662 +1  118.8800319 +1    0.1191990 +1    17    16    15
  C     1.35437481 +1  123.7118430 +1  178.7194338 +1     6     1    15
  C     1.35417079 +1  123.6802468 +1    2.7734899 +1     7     1     2
  C     1.39791882 +1  122.0549110 +1 -177.2588530 +1    20     7     1
  C     1.39280715 +1  119.1992275 +1    0.0911338 +1    21    20     7
  C     1.39168583 +1  118.8819504 +1   -0.2054604 +1    22    21    20
  C     1.35572920 +1  117.5964929 +1 -177.2915513 +1     7     1    20
  H     1.09304948 +1  119.6590307 +1  179.9729343 +1    10     9    11
  H     1.08795141 +1  120.0117941 +1  179.9655519 +1    11    10    12
  H     1.08936035 +1  119.8140206 +1  179.9324893 +1    12    11    13
  H     1.08784890 +1  120.0550734 +1  179.9509768 +1    13    12    11
  H     1.09295625 +1  119.6555517 +1    0.2754957 +1    14     9     8
  H     1.10667581 +1  117.5393845 +1  179.7460279 +1    15     6    16
  H     1.08762923 +1  119.7852225 +1 -179.8670115 +1    16    15    17
  H     1.08988768 +1  120.5472554 +1 -179.9922561 +1    17    16    18
  H     1.08776668 +1  120.9391197 +1 -179.9726737 +1    18    17    16
  H     1.10384279 +1  117.6052362 +1    1.1873647 +1    19     6     1
  H     1.10374966 +1  117.6387052 +1  179.9349282 +1    20     7    21
  H     1.08778981 +1  119.8813607 +1  179.8730225 +1    21    20    22
  H     1.08986293 +1  120.5045839 +1  179.9284019 +1    22    21    23
  H     1.08753296 +1  121.0553429 +1  179.8978524 +1    23    22    21
  H     1.10651585 +1  117.4951648 +1   -2.6469416 +1    24     7     1