PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

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

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    #  Species Formula
  3715 Di-n-propyl zincC6H14Zn
  3716 Di-n-propylzinc (Geo)C6H14Zn
  3717 Di-n-butyl zincC8H18Zn
  3718 Di-t-butyl zincC10H22Zn
  3719 Zn(II)N4(2+) (FUZCUY) (Geo)H12N4Zn
  3720 Zn(II)N4(2+) (FUZCUY)H12N4Zn
  3721 Zn(II)(En)3C6H24N6Zn
  3722 Zn(II)(En)3 (Geo)C6H24N6Zn
  3723 Zn(II)N6(2+) (CIBKIH) (Geo)C6H24N6Zn
  3724 Zn(II)N6(2+) (CIBKIH)C6H24N6Zn
  3725 Zn[(C6H9)(NH2)3]2(++) C12H30N6Zn
  3726 Zn[(C6H9)(NH2)3]2(++) (Geo)C12H30N6Zn
  3727 ZnN3O2C16H11N5O4Zn
  3728 ZnN3O2 (Geo)C16H11N5O4Zn
  3729 Zn(II)O5 (ACACZM01) (Geo)C10H16O5Zn
  3730 Zn(II)O5 (ACACZM01)C10H16O5Zn
  3731 Zn(OH)2.(H2O)4H10O6Zn
  3732 Zn(OH)2.(H2O)4 (Geo)H10O6Zn
  3733 Zn(II)(H2O)5.OHH11O6Zn
  3734 Zn(II)(H2O)5.OH (Geo)H11O6Zn
  3735 Zn(II)(H2O)6H12O6Zn


ΔHf: 255.6 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[(C6H9)(NH2)3]2(++)
 H=255.6 HR=PW91D
 Zn     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     2.17115696 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.17162901 +1   90.3519668 +1    0.0000000 +0     1     2     0
  N     2.17033689 +1   89.4940595 +1 -179.9125536 +1     1     3     2
  N     2.16952348 +1   89.4884388 +1 -179.9495170 +1     1     2     3
  N     2.17148479 +1   90.4180291 +1  -89.5801726 +1     1     2     5
  N     2.16983431 +1   89.6190697 +1  179.9111375 +1     1     2     6
  C     1.50753484 +1  114.0219026 +1  -45.2909066 +1     2     1     3
  C     1.50737198 +1  113.9762483 +1  -45.2200192 +1     6     1     2
  C     1.50750494 +1  113.9888239 +1   45.2992467 +1     3     1     2
  C     1.50759539 +1  113.8685514 +1   45.0050979 +1     4     1     5
  C     1.50757311 +1  114.0103101 +1 -134.9359417 +1     7     1     2
  C     1.50760811 +1  113.9559943 +1  135.1277139 +1     5     1     2
  C     1.53347716 +1  110.3466077 +1  -62.5518624 +1    13     5     1
  C     1.53354558 +1  110.3645164 +1  -62.2021051 +1    11     4     1
  C     1.53349303 +1  110.3740454 +1  124.6876476 +1    11     4    15
  C     1.53354832 +1  110.3693240 +1  -62.2769425 +1     9     6     1
  C     1.53348550 +1  110.3770375 +1  -62.2582796 +1     8     2     1
  C     1.53348815 +1  110.3823872 +1  124.6226833 +1     8     2    18
  H     1.02069938 +1  108.8801430 +1  122.0591579 +1     2     1     8
  H     1.02061816 +1  108.9196999 +1 -122.0878529 +1     3     1    10
  H     1.02069008 +1  108.9732562 +1  122.0190267 +1     4     1    11
  H     1.02070024 +1  108.9813911 +1 -122.0811479 +1     5     1    13
  H     1.02057755 +1  108.9405802 +1 -122.1100970 +1     6     1     9
  H     1.02069144 +1  108.9271983 +1 -122.1039825 +1     7     1    12
  H     1.13148781 +1  108.2101333 +1  117.6939634 +1     8     2    19
  H     1.13151378 +1  108.2181837 +1 -117.6728118 +1     9     6    17
  H     1.13154440 +1  108.2017531 +1  179.9258907 +1    10     3     1
  H     1.13153000 +1  108.2031927 +1  117.6636763 +1    11     4    16
  H     1.13147789 +1  108.2053864 +1 -179.9032291 +1    12     7     1
  H     1.13150524 +1  108.2048449 +1 -117.6648755 +1    13     5    14
  H     1.11776080 +1  108.1960093 +1 -163.9551793 +1    14    13     5
  H     1.10943556 +1  110.4573999 +1  113.4346574 +1    14    13    32
  H     1.11774514 +1  108.1809785 +1 -163.5925599 +1    15    11     4
  H     1.10949982 +1  110.4185415 +1  113.3655452 +1    15    11    34
  H     1.10951021 +1  110.4364067 +1   50.3383308 +1    16    11     4
  H     1.11777139 +1  108.1886889 +1  113.3889647 +1    16    11    36
  H     1.11776917 +1  108.1807382 +1 -163.7611176 +1    17     9     6
  H     1.10947007 +1  110.4238004 +1  113.3983054 +1    17     9    38
  H     1.11778449 +1  108.1885800 +1 -163.8755776 +1    18     8     2
  H     1.10945450 +1  110.4274081 +1  113.4063887 +1    18     8    40
  H     1.11782283 +1  108.1746066 +1  163.9341165 +1    19     8     2
  H     1.10946610 +1  110.4381122 +1 -113.4200109 +1    19     8    42
  H     1.02063568 +1  108.9255025 +1  115.8420451 +1     2     1    20
  H     1.02059918 +1  108.8828125 +1 -115.8515554 +1     3     1    21
  H     1.02063182 +1  109.0072829 +1  115.9206648 +1     4     1    22
  H     1.02069201 +1  108.9205836 +1 -115.8683346 +1     5     1    23
  H     1.02060914 +1  108.8644638 +1 -115.8383106 +1     6     1    24
  H     1.02070166 +1  108.8870790 +1 -115.8327532 +1     7     1    25