Accuracy

zn(ii)n4(2plus) (fuzcuy)   3719 Zn(II)N4(2+) (FUZCUY)

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    #  Species Formula
  3709 Diethyl zincC4H10Zn
  3710 Diethylzinc (Geo)C4H10Zn
  3711 Zn(II)C4(2-) (LTMEZN) (Geo)C4H12Zn
  3712 Zn(II)C4(2-) (LTMEZN)C4H12Zn
  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


ΔHf: 293.8 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)N4(2+) (FUZCUY)
 H=293.8 HR=PW91D
 Zn     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     2.02548048 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.02544678 +1  109.5006899 +1    0.0000000 +0     1     2     0
  N     2.02581842 +1  109.5481744 +1  119.6832403 +1     1     2     3
  N     2.02520338 +1  109.4404410 +1  120.0132803 +1     1     2     4
  H     1.02216110 +1  112.4244779 +1  -33.7377286 +1     2     1     3
  H     1.02185305 +1  112.6425181 +1 -120.0803937 +1     2     1     6
  H     1.02201435 +1  112.5360939 +1 -120.1135477 +1     2     1     7
  H     1.02196925 +1  112.5670872 +1   60.4047612 +1     3     1     2
  H     1.02224032 +1  112.4854738 +1  119.9896185 +1     3     1     9
  H     1.02229763 +1  112.4931269 +1  120.0173274 +1     3     1    10
  H     1.02212138 +1  112.4333378 +1  -85.8394777 +1     4     1     2
  H     1.02197882 +1  112.5184959 +1 -119.7970214 +1     4     1    12
  H     1.02186074 +1  112.6645111 +1 -120.1054271 +1     4     1    13
  H     1.02193421 +1  112.5758352 +1  119.7488014 +1     5     1     2
  H     1.02181174 +1  112.5284273 +1  120.0466321 +1     5     1    15
  H     1.02185939 +1  112.5340815 +1  119.9000334 +1     5     1    16