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

pb(iv)o6c (nestag)   8098 Pb(IV)O6C (NESTAG)

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    #  Species Formula
  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
  8098 Pb(IV)O6C (NESTAG) C12H14O6Pb
  8099 Lead fluorideFPb
  8100 Lead fluoride (Geo)FPb
  8101 Lead difluorideF2Pb
  8102 Lead difluoride (Geo)F2Pb
  8103 Lead sulfideSPb
  8104 Lead sulfide (Geo)SPb
  8105 Pb(CH3)3(CH3S)C4H12SPb
  8106 Pb(CH3)3(CH3S) (Geo)C4H12SPb
  8107 Pb(+)F3.H2SH2F3SPb
  8108 Pb(+)F3.H2S (Geo)H2F3SPb


ΔHf: -225.8 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(IV)O6C (NESTAG)
 H=-225.8 HR=PW91D
 Pb     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.01074591 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.21582557 +1   90.0598495 +1    0.0000000 +0     2     1     0
  C     1.98241578 +1  126.7854839 +1  -31.1873519 +1     1     2     3
  C     2.88460417 +1  113.8287575 +1 -124.3085615 +1     1     2     4
  C     1.49228308 +1  150.3593149 +1   -9.7238546 +1     5     1     2
  O     1.32848824 +1   38.3841698 +1 -142.9180674 +1     5     1     4
  O     1.21340448 +1   82.9853165 +1  177.1099682 +1     5     1     7
  C     2.87349735 +1  115.4878321 +1 -111.7300282 +1     1     2     5
  C     1.49104786 +1  150.9671702 +1   32.5144445 +1     9     1     2
  O     1.33143909 +1   38.7791822 +1  167.6428718 +1     9     1     4
  O     1.21295583 +1   82.2565319 +1 -178.7024548 +1     9     1    11
  C     1.39411104 +1  119.1407588 +1    2.3315004 +1     4     1     2
  C     1.39310446 +1  117.8025949 +1  179.9646580 +1    13     4     1
  C     1.39517481 +1  120.5066497 +1   -0.1270382 +1    14    13     4
  C     1.39263609 +1  120.3592501 +1   -0.2412818 +1    15    14    13
  C     1.39528847 +1  120.4753825 +1    0.1176245 +1    16    15    14
  H     2.42610419 +1  179.4348845 +1 -149.8550604 +1     2     1     3
  H     1.77909317 +1   90.4265975 +1  -40.0528915 +1    18     2     3
  H     1.77373415 +1   60.2947882 +1   96.0461546 +1    19    18     2
  H     1.10042506 +1  110.7611094 +1 -104.1360659 +1     6     5     8
  H     1.10096232 +1  111.4320164 +1 -118.9200594 +1     6     5    21
  H     1.09981017 +1  110.8788936 +1 -121.0506733 +1     6     5    22
  H     1.10080045 +1  112.2820940 +1 -175.6176398 +1    10     9    12
  H     1.10055209 +1  110.5710056 +1 -120.6647670 +1    10     9    24
  H     1.10088629 +1  110.3636611 +1 -118.6569837 +1    10     9    25
  H     1.09535005 +1  122.8426330 +1 -178.8234144 +1    13     4    14
  H     1.08899402 +1  119.4908224 +1 -179.6258833 +1    14    13    15
  H     1.08952271 +1  119.7505396 +1 -179.6432851 +1    15    14    16
  H     1.08948624 +1  120.2507152 +1 -179.6477493 +1    16    15    17
  H     1.09982248 +1  119.6363873 +1 -179.2647331 +1    17    16    15
  C     1.21421130 +1   30.8546756 +1 -175.1115762 +1     3     2     1
  C     1.10165661 +1   36.1491061 +1  -37.5982787 +1    19    18    20