Accuracy

zn((c6h9)(nh2)3)2(plusplus)r   3725 Zn[(C6H9)(NH2)3]2(++) (Geo)

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    #  Species Formula
  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
  3734 Zn(II)(H2O)6H12O6Zn
  3735 Zn(II)(H2O)6 (Geo)H12O6Zn


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[(C6H9)(NH2)3]2(++)
 <Zn-N> GR=PW91D
 Zn     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     2.26522400 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.15986870 +1   89.3033689 +1    0.0000000 +0     1     2     0
  N     2.16101371 +1   90.7409791 +1  179.9230807 +1     1     3     2
  N     2.15918077 +1   88.5371508 +1 -179.5236187 +1     1     2     3
  N     2.15944196 +1   89.3595890 +1  -89.4454944 +1     1     2     5
  N     2.15921908 +1   88.5954439 +1  179.4692819 +1     1     2     6
  C     1.50443248 +1  112.5268394 +1  -45.5670926 +1     2     1     3
  C     1.50782159 +1  114.6626409 +1  -45.9182932 +1     6     1     2
  C     1.50784435 +1  114.6697337 +1   45.9956947 +1     3     1     2
  C     1.50804170 +1  113.3207339 +1   44.9361761 +1     4     1     5
  C     1.50772114 +1  113.9278187 +1 -135.2558487 +1     7     1     2
  C     1.50768429 +1  113.9116595 +1  135.3288158 +1     5     1     2
  C     1.53323256 +1  110.3177780 +1  -63.2054576 +1    13     5     1
  C     1.53391749 +1  110.3380327 +1  -62.2886438 +1    11     4     1
  C     1.53393640 +1  110.3409491 +1  124.7166584 +1    11     4    15
  C     1.53293895 +1  110.3444641 +1  -61.1311811 +1     9     6     1
  C     1.53390507 +1  110.3831986 +1  -62.3553373 +1     8     2     1
  C     1.53390199 +1  110.3768858 +1  124.7877778 +1     8     2    18
  H     1.01846920 +1  109.2310227 +1  121.7773018 +1     2     1     8
  H     1.02086894 +1  108.6145932 +1 -122.2146787 +1     3     1    10
  H     1.02097847 +1  109.2629572 +1  121.9236057 +1     4     1    11
  H     1.02088220 +1  108.4256089 +1 -121.7755215 +1     5     1    13
  H     1.02096814 +1  108.5544188 +1 -122.2482808 +1     6     1     9
  H     1.02067339 +1  109.3585617 +1 -122.3620013 +1     7     1    12
  H     1.13188291 +1  108.3206278 +1  117.6066005 +1     8     2    19
  H     1.13174523 +1  108.1005281 +1 -117.5851974 +1     9     6    17
  H     1.13180556 +1  108.0907858 +1  178.6778213 +1    10     3     1
  H     1.13141399 +1  108.1939616 +1  117.6417589 +1    11     4    16
  H     1.13136058 +1  108.2261184 +1 -179.1012654 +1    12     7     1
  H     1.13133125 +1  108.2357738 +1 -117.7515183 +1    13     5    14
  H     1.11771232 +1  108.2553137 +1 -164.6135712 +1    14    13     5
  H     1.10955547 +1  110.4988080 +1  113.4144430 +1    14    13    32
  H     1.11782378 +1  108.1454158 +1 -163.1764684 +1    15    11     4
  H     1.10948206 +1  110.4290374 +1  113.3542675 +1    15    11    34
  H     1.10950381 +1  110.4372681 +1   49.9108948 +1    16    11     4
  H     1.11789097 +1  108.1340437 +1  113.3095910 +1    16    11    36
  H     1.11791935 +1  108.1812324 +1 -163.7475658 +1    17     9     6
  H     1.10945031 +1  110.4517557 +1  113.4435798 +1    17     9    38
  H     1.11785824 +1  108.1432730 +1 -162.7219797 +1    18     8     2
  H     1.10956939 +1  110.3129267 +1  113.2706304 +1    18     8    40
  H     1.11785507 +1  108.1409630 +1  162.7535675 +1    19     8     2
  H     1.10959519 +1  110.3116596 +1 -113.2605870 +1    19     8    42
  H     1.01844797 +1  109.1637316 +1  116.4875185 +1     2     1    20
  H     1.02097252 +1  108.5906210 +1 -115.5196340 +1     3     1    21
  H     1.02093692 +1  109.2323081 +1  116.1628823 +1     4     1    22
  H     1.02064458 +1  109.3664104 +1 -115.8608237 +1     5     1    23
  H     1.02088997 +1  108.6608154 +1 -115.5093840 +1     6     1    24
  H     1.02087154 +1  108.4064555 +1 -115.8640474 +1     7     1    25