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

pb(ii)(cp)2n2 (todhoj01)   8087 Pb(II)(Cp)2N2 (TODHOJ01)

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    #  Species Formula
  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 TetraethylleadC8H20Pb
  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
  8094 Pb(II)O4 (ABZOPB)C14H12N2O4Pb
  8095 Pb(II)O3N2 (LEWPIM) (Geo)C6H6N6O5Pb
  8096 Pb(II)O3N2 (LEWPIM)C6H6N6O5Pb
  8097 Pb(IV)O6C (NESTAG) (Geo)C12H14O6Pb


ΔHf: 72.3 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.
  
 PM7
Pb(II)(Cp)2N2 (TODHOJ01)
 H=72.3 HR=PW91D
 Pb     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     4.58355449 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     3.74091147 +1   51.4515687 +1    0.0000000 +0     1     2     0
  C     3.06007512 +1  132.0408536 +1    7.5147215 +1     1     2     3
  C     2.33436431 +1   68.8554748 +1  -96.0952037 +1     4     1     2
  C     1.48249762 +1   64.0594361 +1  -28.9057333 +1     2     1     3
  C     1.47806691 +1  160.5817262 +1   80.5615960 +1     2     1     6
  C     1.47871130 +1   88.3195112 +1  165.2167367 +1     2     1     7
  C     3.85053828 +1   84.7604678 +1 -140.3474032 +1     1     2     4
  C     1.36271488 +1   45.0482620 +1  121.1603433 +1     9     1     2
  C     1.48267367 +1  108.9560691 +1  -49.8236833 +1    10     9     1
  C     1.48124220 +1  104.2142248 +1   -3.0498865 +1    11    10     9
  C     1.36239249 +1  109.0479122 +1    3.0783207 +1    12    11    10
  C     1.48235629 +1   94.7229344 +1  -18.7241411 +1     3     1     2
  C     1.47856895 +1  134.0839759 +1  126.4361721 +1     3     1    14
  C     1.47940131 +1   93.7523861 +1  122.8521293 +1     3     1    15
  H     2.20893011 +1   60.2938712 +1  -64.2196119 +1     4     1     5
  H     1.06852045 +1   98.8010972 +1 -100.4875442 +1     4     1    17
  H     2.18831942 +1  130.8438450 +1 -118.9794185 +1     4     1    18
  H     2.18897675 +1   93.9574438 +1  132.7128479 +1     5     4     1
  H     1.07026607 +1  160.8393121 +1  173.9516084 +1     5     4    20
  H     1.11265968 +1  109.3498978 +1  -38.1497220 +1     6     2     1
  H     1.10716037 +1  113.3306503 +1 -118.6298637 +1     6     2    22
  H     1.09931876 +1  114.6195391 +1 -133.2554847 +1     7     2     1
  H     1.10264678 +1  108.9826098 +1  121.7117340 +1     7     2    24
  H     1.10312312 +1  109.0067291 +1  116.4438460 +1     7     2    25
  H     1.10301524 +1  109.0513722 +1    1.1665762 +1     8     2     1
  H     1.09894492 +1  114.5914936 +1  122.0193485 +1     8     2    27
  H     1.10305282 +1  108.9007591 +1  121.5802195 +1     8     2    28
  H     1.06952452 +1  141.8846764 +1   97.5454896 +1     9     1    10
  H     1.06898055 +1  127.9651243 +1 -179.3307290 +1    10     9    11
  H     1.08740289 +1  118.0537729 +1 -132.7897614 +1    11    10    12
  H     1.07549472 +1  123.0556061 +1  179.7710746 +1    12    11    13
  H     1.06882148 +1  127.8049903 +1  178.9253345 +1    13    12    11
  H     1.10722233 +1  113.3880461 +1 -168.0851514 +1    14     3     1
  H     1.11611690 +1  108.6177284 +1  118.4623754 +1    14     3    35
  H     1.10109969 +1  109.2939082 +1  -58.7208116 +1    15     3     1
  H     1.09986990 +1  114.4432666 +1 -121.8272515 +1    15     3    37
  H     1.10319899 +1  108.9399042 +1 -121.4808839 +1    15     3    38
  H     1.10515905 +1  108.8833148 +1  -79.3546625 +1    16     3     1
  H     1.09885918 +1  114.5989316 +1 -121.8001397 +1    16     3    40
  H     1.10315060 +1  109.4041094 +1 -122.2041807 +1    16     3    41
  C     1.08682090 +1   36.3645698 +1   49.9642538 +1    17     4     1
  C     1.06935175 +1   29.4928484 +1  -64.5240062 +1    19     4     1
  C     1.06948164 +1   29.4723183 +1   -1.0764219 +1    20     5     4