Accuracy

zn(ii)c4(2-) (ltmezn)   3712 Zn(II)C4(2-) (LTMEZN)

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    #  Species Formula
  3702 Zinc, dicationZn
  3703 Zinc, cationZn
  3704 Zinc, atomZn
  3705 Zinc hydrideHZn
  3706 Methyl zinc, cationCH3Zn
  3707 Ethyl zincC2H5Zn
  3708 Dimethyl zincC2H6Zn
  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


ΔHf: 109.3 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)C4(2-) (LTMEZN)
 H=109.3 HR=PW91D
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Zn     2.25160657 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     2.25161081 +1  109.4087262 +1    0.0000000 +0     2     1     0
  C     2.25164794 +1  109.4050039 +1 -120.0444097 +1     2     1     3
  C     2.25160539 +1  109.6500479 +1 -119.9631821 +1     2     1     4
  H     1.05256405 +1   98.3544914 +1 -107.4980960 +1     1     2     3
  H     1.05275259 +1   98.0190541 +1 -120.0444985 +1     1     2     6
  H     1.05280887 +1   97.9744768 +1 -119.9421407 +1     1     2     7
  H     1.05278680 +1   98.0895305 +1   51.5494722 +1     3     2     1
  H     1.05276963 +1   98.1296509 +1  119.9870023 +1     3     2     9
  H     1.05270210 +1   98.1764174 +1  119.9842745 +1     3     2    10
  H     1.05268539 +1   98.1894345 +1  -45.7949004 +1     4     2     1
  H     1.05279284 +1   98.1078657 +1 -120.0039200 +1     4     2    12
  H     1.05275344 +1   98.1211543 +1 -119.9704098 +1     4     2    13
  H     1.05262370 +1   98.2648763 +1   -8.5695878 +1     5     2     1
  H     1.05276505 +1   98.0036497 +1  120.0015264 +1     5     2    15
  H     1.05281176 +1   98.0464386 +1  119.9997258 +1     5     2    16