Accuracy

zn(ii)(en)3   3720 Zn(II)(En)3

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    #  Species Formula
  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)3 C6H24N6Zn
  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


ΔHf: 266.5 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=2 PM7
Zn(II)(En)3
 H=266.5 HR=PW91D
 Zn     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     2.17084361 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.17286295 +1   82.1118769 +1    0.0000000 +0     1     2     0
  N     2.17272852 +1   91.5803864 +1   94.3178345 +1     1     2     3
  N     2.17177870 +1  170.9206601 +1  -45.7617117 +1     1     2     4
  N     2.17008949 +1   92.1795696 +1 -173.6153665 +1     1     2     3
  N     2.17133594 +1   94.9180139 +1   82.2855012 +1     1     2     6
  C     1.49838158 +1  107.4677064 +1   14.6133994 +1     3     1     2
  C     1.49834547 +1  107.4725611 +1   14.7901396 +1     2     1     3
  C     1.49835958 +1  107.4894809 +1   60.9040011 +1     5     1     2
  C     1.49840457 +1  107.4206792 +1 -158.6405960 +1     4     1     2
  C     1.49839255 +1  107.4849424 +1  -76.9441695 +1     7     1     2
  C     1.49819843 +1  107.4609374 +1  109.5009378 +1     6     1     2
  H     1.11380459 +1  109.1550998 +1   79.8973241 +1     8     3     1
  H     1.11386066 +1  109.1482042 +1   79.7484067 +1     9     2     1
  H     1.11382191 +1  109.1563850 +1   79.8946854 +1    10     5     1
  H     1.11381358 +1  109.1452861 +1   79.7108751 +1    11     4     1
  H     1.11387751 +1  109.1481084 +1   79.8913015 +1    12     7     1
  H     1.11379578 +1  109.1687939 +1   79.7187398 +1    13     6     1
  H     1.11737267 +1  112.1193328 +1  117.1808316 +1    13     6    19
  H     1.11743051 +1  112.1140278 +1  117.1514141 +1     8     3    14
  H     1.11733697 +1  112.1218615 +1  117.1757483 +1    12     7    18
  H     1.11739227 +1  112.1089970 +1  117.1453484 +1     9     2    15
  H     1.11741043 +1  112.1116830 +1  117.1272110 +1    10     5    16
  H     1.11733645 +1  112.1199317 +1  117.1654380 +1    11     4    17
  H     1.02077604 +1  111.9921962 +1  120.8479770 +1     2     1     9
  H     1.02062217 +1  111.9909464 +1  120.8318664 +1     3     1     8
  H     1.02072174 +1  112.0110821 +1  120.8475999 +1     5     1    10
  H     1.02070246 +1  112.0935377 +1  120.8372505 +1     4     1    11
  H     1.02063920 +1  111.9896128 +1  120.8926192 +1     6     1    13
  H     1.02070007 +1  112.0279600 +1  120.8928748 +1     7     1    12
  H     1.02062518 +1  110.8723129 +1  118.8716452 +1     2     1    26
  H     1.02064106 +1  110.7819176 +1  118.8658249 +1     7     1    31
  H     1.02064137 +1  110.8739267 +1  118.9009875 +1     3     1    27
  H     1.02064934 +1  110.8559550 +1  118.9447333 +1     4     1    29
  H     1.02066083 +1  110.8660120 +1  118.8824417 +1     5     1    28
  H     1.02067971 +1  110.8091857 +1  118.8443504 +1     6     1    30