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

in(iii)c2n2 (amdmin)   5479 In(III)C2N2 (AMDMIN)

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    #  Species Formula
  5469 In(III)C2Br2(-) (MASMBI) (Geo)C2H6Br2In
  5470 In(III)C2Br2(-) (MASMBI)C2H6Br2In
  5471 Indium tribromide (Geo)Br3In
  5472 Indium tribromideBr3In
  5473 In(III)CBr3 (PETNUX) (Geo)C6H14N2SBr3In
  5474 In(III)CBr3 (PETNUX)C6H14N2SBr3In
  5475 In(((I)ClBr3(-) (BUPNAB) (Geo)ClBr3In
  5476 In(((I)ClBr3(-) (BUPNAB)ClBr3In
  5477 Indium, dimerIn2
  5478 In(III)C2N2 (AMDMIN) (Geo)C8H24N2In2
  5479 In(III)C2N2 (AMDMIN) C8H24N2In2
  5480 Indium(I) oxide (Geo)OIn2
  5481 Indium trifluoride, dimerF6In2
  5482 Indium trifluoride, dimer (Geo)F6In2
  5483 Indium(I) sulfideSIn2
  5484 Diindium trichlorideCl3In2
  5485 Indium trichloride, dimerCl6In2
  5486 Indium trichloride, dimer (Geo)Cl6In2
  5487 Indium(I) selenide (Geo)SeIn2
  5488 Indium tribromide, dimerBr6In2
  5489 Indium tribromide, dimer (Geo)Br6In2


ΔHf: 4.4 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.
  
 PM7
In(III)C2N2 (AMDMIN)
 H=4.4 HR=PW91D
 In     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 In     3.22414660 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.25725387 +1   44.4076485 +1    0.0000000 +0     2     1     0
  C     2.17609120 +1  123.2867199 +1  -89.5034410 +1     2     1     3
  C     1.48623715 +1  114.4591412 +1 -117.6656952 +1     3     2     1
  N     2.25737179 +1   44.3984092 +1  179.6165329 +1     1     2     3
  C     1.48622205 +1  114.4906288 +1 -117.7167615 +1     6     1     2
  C     1.48616787 +1  114.4666582 +1 -124.5449328 +1     6     1     7
  C     2.17598381 +1  123.0667402 +1  179.5629248 +1     2     1     4
  H     2.75661594 +1  103.3663117 +1  -80.9178821 +1     1     2     6
  H     1.76532300 +1   70.8837902 +1  169.1023036 +1    10     1     2
  H     1.76279499 +1   60.0764604 +1   78.3646206 +1    11    10     1
  H     2.75929239 +1  101.8221709 +1  167.6495744 +1     1     2    10
  H     1.76587663 +1   70.7172888 +1 -156.2625297 +1    13     1     2
  H     1.76618479 +1   70.6826897 +1  -63.8294690 +1    13     1    14
  H     2.15532557 +1  101.4820650 +1  -97.9248040 +1     3     2     5
  H     1.77817670 +1   65.6367229 +1 -153.8946311 +1    16     3     2
  H     1.77749217 +1   65.3329337 +1   66.6791328 +1    16     3    17
  H     1.10365805 +1  111.8009007 +1  -68.0385521 +1     5     3     2
  H     1.10377632 +1  111.0426092 +1  119.7782713 +1     5     3    19
  H     1.10350141 +1  111.8361103 +1  119.8811484 +1     5     3    20
  H     1.10362283 +1  111.8231621 +1  171.9351727 +1     7     6     1
  H     1.10346183 +1  111.1052804 +1 -119.9103546 +1     7     6    22
  H     1.10377464 +1  111.7588300 +1 -119.8109602 +1     7     6    23
  H     1.10356550 +1  111.8216967 +1 -171.8808186 +1     8     6     1
  H     1.10370755 +1  111.7789825 +1 -120.3514797 +1     8     6    25
  H     1.10358663 +1  111.0747504 +1 -119.7954773 +1     8     6    26
  H     1.08639894 +1  109.7899852 +1  124.9528711 +1     9     2     1
  H     1.08443742 +1  111.1875582 +1 -120.5327460 +1     9     2    28
  H     1.08645548 +1  109.7127060 +1 -120.4829493 +1     9     2    29
  H     1.08652398 +1  109.8591724 +1 -142.4453962 +1     4     2     1
  H     1.08445943 +1  111.1058677 +1  120.4623215 +1     4     2    31
  H     1.08617813 +1  109.7396299 +1  120.4661925 +1     4     2    32
  C     1.08475534 +1   47.4886207 +1   31.8804698 +1    10     1    11
  C     1.08631820 +1   35.5230814 +1   41.9067509 +1    15    13     1
  C     1.10369998 +1   39.8153151 +1  -33.6013419 +1    16     3    18