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

di-n-propyl zinc   3715 Di-n-propyl zinc

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    #  Species Formula
  3705 Zinc, atomZn
  3706 Zinc hydrideHZn
  3707 Methyl zinc, cationCH3Zn
  3708 Ethyl zincC2H5Zn
  3709 Dimethyl zincC2H6Zn
  3710 Diethyl zincC4H10Zn
  3711 Diethylzinc (Geo)C4H10Zn
  3712 Zn(II)C4(2-) (LTMEZN) (Geo)C4H12Zn
  3713 Zn(II)C4(2-) (LTMEZN)C4H12Zn
  3714 Cyclopentadienylmethylzinc (Geo)C6H8Zn
  3715 Di-n-propyl zinc C6H14Zn
  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


ΔHf: -2.9 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
Dipole: 0.1 Debye,     REF: A. L. McClellan, "Tables of Experimental Dipole Moments," Vol 2, Rahara Enterprises, El Cerrito, (1974).
  
 PM7
Di-n-propyl zinc
 H=-2.9 D=0.1 HR=C&P1970 DR=MCC1974
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.53822506 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.51688177 +1  111.1036015 +1    0.0000000 +0     2     1     0
  C     4.01284791 +1  114.6757066 +1  179.9862914 +1     3     2     1
  C     1.51762643 +1  112.9091719 +1  162.4963938 +1     4     3     2
  C     1.53827340 +1  111.0650175 +1 -179.9960300 +1     5     4     3
 Zn     2.00685691 +1    0.5347744 +1    0.2640108 +1     4     3     2
  H     1.09311322 +1  111.5082572 +1  179.9348849 +1     6     5     4
  H     1.09431583 +1  110.9891103 +1   59.5936582 +1     6     5     4
  H     1.09433356 +1  110.9959155 +1  -59.7154883 +1     6     5     4
  H     1.10754716 +1  110.9240158 +1   58.8796257 +1     5     4     3
  H     1.10751980 +1  110.9409243 +1  -58.8796428 +1     5     4     3
  H     1.09168597 +1  106.1492055 +1   39.7765045 +1     4     3     2
  H     1.09156761 +1  105.9700495 +1  -74.8972417 +1     4     3     2
  H     1.09217453 +1  111.7107612 +1   60.5587082 +1     3     2     1
  H     1.09216113 +1  111.6958470 +1  -60.6027866 +1     3     2     1
  H     1.10747594 +1  108.8063864 +1  122.3768800 +1     2     1     3
  H     1.10748116 +1  108.8018058 +1 -122.3616850 +1     2     1     3
  H     1.09311437 +1  111.4997998 +1 -179.8296588 +1     1     2     3
  H     1.09430624 +1  110.9948251 +1   59.8388424 +1     1     2     3
  H     1.09431501 +1  111.0041403 +1  -59.4886710 +1     1     2     3