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

tetraethyllead   8083 Tetraethyllead

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    #  Species Formula
  8073 Lead hydride (Geo)HPb
  8074 Lead tetrahydride (plumbane)H4Pb
  8075 Lithium plumbideLiPb
  8076 Trimethyllead, cationC3H9Pb
  8077 TrimethylleadC3H9Pb
  8078 Pb(IV)C4 (VADRAU) (Geo)C4H12Pb
  8079 Pb(IV)C4 (VADRAU)C4H12Pb
  8080 Tetramethyllead (Geo)C4H12Pb
  8081 TetramethylleadC4H12Pb
  8082 t-ButyltrimethylleadC7H18Pb
  8083 Tetraethyllead C8H20Pb
  8084 Bicyclopentadienyllead (plumbocene)C10H10Pb
  8085 Bicyclopentadienyllead (plumbocene) (Geo)C10H10Pb
  8086 Pb(II)(Cp)2N2 (TODHOJ01) (Geo)C16H26N2Pb
  8087 Pb(II)(Cp)2N2 (TODHOJ01)C16H26N2Pb
  8088 Lead oxideOPb
  8089 Lead oxide (Geo)OPb
  8090 Lead dioxideO2Pb
  8091 Pb(II)O2(+) (AMBOPB) (Geo)C7H6NO2Pb
  8092 Pb(II)O2(+) (AMBOPB)C7H6NO2Pb
  8093 Pb(II)O4 (ABZOPB) (Geo)C14H12N2O4Pb


ΔHf: 18.0 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.
I.P.: 8.1 eV,     REF: J. K. Kochi, "Organometallic Mechanisms and Catalysis"; Academic Press: New York, 1978, p 454.
  
 SYMMETRY PM7
Tetraethyllead
 H=18.0 HR=PW91D I=8.13 IR=K1978
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.51637948 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Pb     2.13885090 +1  111.5604561 +1    0.0000000 +0     2     1     0
  C     2.13885090 +0  109.4818950 +1  179.5101837 +1     3     2     1
  C     1.51637948 +0  111.5604561 +0   65.0968820 +1     4     3     2
  C     2.13885090 +0  109.4818950 +0   59.7754813 +1     3     2     1
  C     1.51637948 +0  111.5604561 +0   59.8938268 +1     6     3     2
  C     2.13885090 +0  109.4818950 +0  179.5782820 +1     3     6     7
  C     1.51637948 +0  111.5604561 +0   65.1832548 +1     8     3     6
  H     1.09716646 +1  111.6345027 +1  179.6194370 +1     5     4     3
  H     1.09716646 +0  111.6345027 +0   59.9220568 +1     5     4     3
  H     1.09716646 +0  111.6345027 +0  -60.6969652 +1     5     4     3
  H     1.09574466 +1  106.2019881 +1  -57.2298435 +1     4     3     2
  H     1.09574466 +0  106.2019881 +0 -172.6602774 +1     4     3     2
  H     1.09574466 +0  106.2019881 +0   57.2562672 +1     2     3     4
  H     1.09574466 +0  106.2019881 +0  -58.1689689 +1     2     3     4
  H     1.09716646 +0  111.6345027 +0 -179.6177108 +1     1     2     3
  H     1.09716646 +0  111.6345027 +0   60.7020545 +1     1     2     3
  H     1.09716646 +0  111.6345027 +0  -59.9619958 +1     1     2     3
  H     1.09716646 +0  111.6345027 +0 -179.6676871 +1     7     6     3
  H     1.09716646 +0  111.6345027 +0   60.6446487 +1     7     6     3
  H     1.09716646 +0  111.6345027 +0  -60.0120053 +1     7     6     3
  H     1.09574466 +0  106.2019881 +0   57.3291909 +1     6     3     8
  H     1.09574466 +0  106.2019881 +0  -58.0974550 +1     6     3     8
  H     1.09716646 +0  111.6345027 +0  179.6298333 +1     9     8     3
  H     1.09716646 +0  111.6345027 +0   59.9398482 +1     9     8     3
  H     1.09716646 +0  111.6345027 +0  -60.6834704 +1     9     8     3
  H     1.09574466 +0  106.2019881 +0  -57.1544740 +1     8     3     6
  H     1.09574466 +0  106.2019881 +0 -172.5785106 +1     8     3     6