Accuracy

zn(ii)n6(2plus) (cibkih)   3723 Zn(II)N6(2+) (CIBKIH)

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    #  Species Formula
  3713 Cyclopentadienylmethylzinc (Geo)C6H8Zn
  3714 Di-n-propyl zincC6H14Zn
  3715 Di-n-propylzinc (Geo)C6H14Zn
  3716 Di-n-butyl zincC8H18Zn
  3717 Di-t-butyl zincC10H22Zn
  3718 Zn(II)N4(2+) (FUZCUY) (Geo)H12N4Zn
  3719 Zn(II)N4(2+) (FUZCUY)H12N4Zn
  3720 Zn(II)(En)3C6H24N6Zn
  3721 Zn(II)(En)3 (Geo)C6H24N6Zn
  3722 Zn(II)N6(2+) (CIBKIH) (Geo)C6H24N6Zn
  3723 Zn(II)N6(2+) (CIBKIH) C6H24N6Zn
  3724 Zn[(C6H9)(NH2)3]2(++)C12H30N6Zn
  3725 Zn[(C6H9)(NH2)3]2(++) (Geo)C12H30N6Zn
  3726 ZnN3O2C16H11N5O4Zn
  3727 ZnN3O2 (Geo)C16H11N5O4Zn
  3728 Zn(II)O5 (ACACZM01) (Geo)C10H16O5Zn
  3729 Zn(II)O5 (ACACZM01)C10H16O5Zn
  3730 Zn(OH)2.(H2O)4H10O6Zn
  3731 Zn(OH)2.(H2O)4 (Geo)H10O6Zn
  3732 Zn(II)(H2O)5.OHH11O6Zn
  3733 Zn(II)(H2O)5.OH (Geo)H11O6Zn


ΔHf: 270.1 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.
  
 CHARGE=2 PM7
Zn(II)N6(2+) (CIBKIH)
 H=270.1 HR=PW91D
 Zn     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     2.17413252 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.16882645 +1   81.8683708 +1    0.0000000 +0     1     2     0
  N     2.17305796 +1  170.0962063 +1  -53.1359255 +1     1     2     3
  N     2.16785695 +1   96.7520366 +1   90.1212234 +1     1     2     3
  N     2.17035556 +1   91.0362787 +1   82.0148978 +1     1     2     5
  C     1.49784062 +1  107.8082656 +1  -57.9308954 +1     4     1     2
  C     1.54012491 +1  108.8879779 +1   41.2508991 +1     7     4     1
  C     1.49773830 +1  107.9307954 +1  104.3040245 +1     5     1     2
  C     1.49823557 +1  107.6548484 +1  -81.6136103 +1     6     1     2
  C     1.49815190 +1  107.7514259 +1   15.2179438 +1     3     1     2
  C     1.54000431 +1  108.9432151 +1  -41.6479863 +1    11     3     1
  H     1.02096615 +1  109.3633844 +1 -105.5816386 +1     2     1     3
  H     1.01998470 +1  112.9910356 +1 -118.4074476 +1     2     1    13
  H     2.08232916 +1  134.8934587 +1  -45.8960047 +1     8     7     4
  H     1.63663751 +1   66.7977134 +1  -56.3718007 +1    15     8     7
  H     1.02067500 +1  110.2932654 +1  120.0711003 +1     4     1     7
  H     1.02040166 +1  112.1178590 +1  118.5350780 +1     4     1    17
  H     1.02113790 +1  109.3792982 +1 -119.7888409 +1     5     1     9
  H     1.02022154 +1  112.9209033 +1 -118.3166279 +1     5     1    19
  H     1.02005894 +1  113.4650593 +1  122.0097218 +1     3     1    11
  H     1.02151582 +1  109.0485868 +1  118.6087029 +1     3     1    21
  H     1.02004053 +1  113.5734923 +1  121.9685321 +1     6     1    10
  H     1.02144066 +1  109.0601820 +1  118.7112483 +1     6     1    23
  H     1.11739511 +1  112.1312344 +1  121.7347062 +1     7     4     8
  H     1.11380573 +1  109.1748823 +1  117.1311469 +1     7     4    25
  H     1.11379555 +1  110.8483294 +1  109.6805943 +1     8     7    15
  H     1.11742887 +1  109.7852811 +1  116.8079119 +1     8     7    27
  H     1.11745187 +1  112.1597591 +1 -162.4826937 +1     9     5     1
  H     1.11393225 +1  109.1801034 +1 -117.0864769 +1     9     5    29
  H     1.11386123 +1  109.0951567 +1   79.7088464 +1    10     6     1
  H     1.11739537 +1  112.1345528 +1  117.1406258 +1    10     6    31
  H     1.11746563 +1  112.1210919 +1 -121.7226262 +1    11     3    12
  H     1.11382623 +1  109.1107576 +1 -117.1005092 +1    11     3    33
  H     1.11746325 +1  109.8073289 +1  179.3147814 +1    12    11     3
  H     1.11388554 +1  110.8274800 +1  116.6933622 +1    12    11    35
  N     1.02046347 +1   42.4941472 +1   34.5545688 +1    15     8    16