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

zn(ii)n4i(plus) (znetam10)   5941 Zn(II)N4I(+) (ZNETAM10)

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    #  Species Formula
  5931 Nickel(I) iodideNiI
  5932 Nickel(I) iodide (Geo)NiI
  5933 Methyl nickel(II) iodideCH3NiI
  5934 Methyl nickel(II) iodide (Geo)CH3NiI
  5935 Nickel I Cl (Geo)ClNiI
  5936 Copper(I) iodideCuI
  5937 Copper(I) iodide (Geo)CuI
  5938 Copper(III) oxide iodideOCuI
  5939 Copper(III) oxide iodide (Geo)OCuI
  5940 Zn(II)N4I(+) (ZNETAM10) (Geo)C6H18N4ZnI
  5941 Zn(II)N4I(+) (ZNETAM10) C6H18N4ZnI
  5942 Gallium iodide (Geo)GaI
  5943 Gallium iodideGaI
  5944 GaH3-HI, complex (Geo)H4GaI
  5945 Iodogermane (Geo)H3GeI
  5946 IodogermaneH3GeI
  5947 GeO2I (IACGER) (Geo)C5H7O2GeI
  5948 GeO2I (IACGER)C5H7O2GeI
  5949 GeC2S2I (KADKUV) (Geo)C5H12NS2GeI
  5950 GeC2S2I (KADKUV)C5H12NS2GeI
  5951 As(V)IC2As(+) (FARRAR) (Geo)C4H12As2I


ΔHf: 83.5 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
Zn(II)N4I(+) (ZNETAM10)
 H=83.5 HR=PW91D
 Zn     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  I     2.59524394 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.12547153 +1  106.8480492 +1    0.0000000 +0     1     2     0
  C     2.94974485 +1  120.2244530 +1  160.3271835 +1     1     2     3
  N     2.12906474 +1  107.5646579 +1  -59.9325848 +1     1     2     4
  N     1.49341354 +1   44.8524718 +1   65.6337486 +1     4     1     2
  N     2.14293874 +1  108.9326033 +1  172.2658147 +1     1     2     5
  H     2.17793789 +1   87.0823735 +1  133.7959826 +1     6     4     1
  H     1.78002456 +1   64.3031781 +1  167.7870440 +1     8     6     4
  H     2.17625475 +1  133.8907719 +1 -129.9200503 +1     7     1     2
  H     1.78329208 +1   64.4814872 +1  -43.9403930 +1    10     7     1
  H     2.17766407 +1  133.7940950 +1 -107.9991655 +1     7     1    10
  H     1.78290251 +1   64.1162665 +1  -75.7456724 +1    12     7     1
  H     2.17730354 +1  134.3348880 +1 -124.4796854 +1     3     1     2
  H     1.78418161 +1   64.3053120 +1  -51.2557731 +1    14     3     1
  H     2.19029595 +1   99.8964905 +1 -149.4542217 +1     4     1     6
  H     1.78603517 +1   66.3077110 +1   63.7884359 +1    16     4     1
  H     1.11223345 +1   94.0709729 +1  -96.5317706 +1     4     1    16
  H     1.11327646 +1  154.6645334 +1 -144.4833407 +1     4     1    18
  H     1.01887309 +1  112.5503828 +1 -145.7314736 +1     5     1     2
  H     1.02805143 +1  106.5369298 +1  110.1619455 +1     3     1    14
  H     1.02606326 +1  109.0702877 +1  118.9525153 +1     5     1    20
  H     1.03603085 +1  109.4209706 +1  110.2983941 +1     6     4     8
  H     1.03573135 +1  108.7130992 +1 -138.8511265 +1     7     1    12
  H     1.01925849 +1  116.0716881 +1  118.5874738 +1     3     1    21
  C     1.11639044 +1   36.9099352 +1   37.7825339 +1     9     8     6
  C     1.11790192 +1   36.8062008 +1   38.0352454 +1    13    12     7
  C     1.11255627 +1   36.7744630 +1   38.2501075 +1    15    14     3
  C     1.11757340 +1   36.6877762 +1  -38.9776830 +1    17    16     4
  C     1.11284866 +1   39.3893584 +1   35.0458156 +1    10     7    11