Accuracy

Bicyclopentadienyllead (plumbocene)   8083 Bicyclopentadienyllead (plumbocene)

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    #  Species Formula
  8073 Lead tetrahydride (plumbane)H4Pb
  8074 Lithium plumbideLiPb
  8075 Trimethyllead, cationC3H9Pb
  8076 TrimethylleadC3H9Pb
  8077 Pb(IV)C4 (VADRAU) (Geo)C4H12Pb
  8078 Pb(IV)C4 (VADRAU)C4H12Pb
  8079 Tetramethyllead (Geo)C4H12Pb
  8080 TetramethylleadC4H12Pb
  8081 t-ButyltrimethylleadC7H18Pb
  8082 TetraethylleadC8H20Pb
  8083 Bicyclopentadienyllead (plumbocene) C10H10Pb
  8084 Bicyclopentadienyllead (plumbocene) (Geo)C10H10Pb
  8085 Pb(II)(Cp)2N2 (TODHOJ01) (Geo)C16H26N2Pb
  8086 Pb(II)(Cp)2N2 (TODHOJ01)C16H26N2Pb
  8087 Lead oxideOPb
  8088 Lead oxide (Geo)OPb
  8089 Lead dioxideO2Pb
  8090 Pb(II)O2(+) (AMBOPB) (Geo)C7H6NO2Pb
  8091 Pb(II)O2(+) (AMBOPB)C7H6NO2Pb
  8092 Pb(II)O4 (ABZOPB) (Geo)C14H12N2O4Pb
  8093 Pb(II)O4 (ABZOPB)C14H12N2O4Pb


ΔHf: 76.7 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.: 7.5 eV,     REF: R. D. Levin, S. G. Lias, "Ionization Potentials and Appearance Potential Measurements," 1971-1981, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand. 71, (1982), Cat. No. C13.48:71.
  
 PM7
Bicyclopentadienyllead (plumbocene)
 I=7.53 IR=LLNBS82 H=76.7 HR=PW91D
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.36311516 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.45853572 +1  108.8098027 +1    0.0000000 +0     2     1     0
  C     1.48043963 +1  109.0297862 +1    2.1473926 +1     1     2     3
  C     1.36329362 +1  108.8284591 +1   -0.0834094 +1     3     2     1
  H     1.06897250 +1  127.9032901 +1 -179.7306501 +1     1     2     4
  H     1.07010935 +1  127.8590627 +1  179.0004242 +1     2     1     3
  H     1.07037265 +1  123.3217663 +1  179.0992856 +1     3     2     5
  H     1.08703878 +1  118.0211672 +1 -136.1565093 +1     4     1     2
  H     1.06953675 +1  127.9420920 +1  177.0045131 +1     5     3     2
 Pb     2.29264546 +1  106.4284388 +1 -116.1629816 +1     4     1     9
  C     3.06000868 +1  118.7184883 +1  176.4149342 +1    11     4     1
  C     1.48055867 +1   45.9426443 +1  -12.9751543 +1    12    11     4
  C     1.48177139 +1  104.2670152 +1 -110.7695579 +1    13    12    11
  C     1.36317761 +1  115.5477096 +1  -92.2614276 +1    12    11    13
  C     1.45831764 +1  108.8393294 +1   51.4973373 +1    15    12    11
  H     1.06912443 +1  101.6523094 +1 -142.5303581 +1    12    11    15
  H     1.08702817 +1  117.9752555 +1 -132.8191720 +1    13    12    14
  H     1.06942250 +1  123.0776282 +1 -175.8460998 +1    14    13    12
  H     1.07012290 +1  127.8341950 +1  178.9982691 +1    15    12    16
  H     1.07038708 +1  123.3135332 +1  179.0000336 +1    16    15    12