Accuracy

pb(ii)o6i2 (tojpir)   8149 Pb(II)O6I2 (TOJPIR)

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    #  Species Formula
  8139 Pb(II)Br2O2 (BRDMSP)C4H12O2S2Br2Pb
  8140 Dibromo-bis(dimethylsulfoxide) lead(ii) (Geo)C4H12O2S2Br2Pb
  8141 Lead tellurideTePb
  8142 Lead telluride (Geo)TePb
  8143 Lead iodideIPb
  8144 Lead iodide (Geo)IPb
  8145 Lead diiodideI2Pb
  8146 Lead diiodide (Geo)I2Pb
  8147 18-Crown-6-diiodo-lead(II) (TOJPIR) (Geo)C12H24O6I2Pb
  8148 Pb(II)O6I2 (TOJPIR) (Geo)C12H24O6I2Pb
  8149 Pb(II)O6I2 (TOJPIR) C12H24O6I2Pb
  8150 Pb(IV)I6(2-) (FOLLIB) (Geo)I6Pb
  8151 Pb(IV)I6(2-) (FOLLIB)I6Pb
  8152 Lead, dimerPb2
  8153 HexamethyldiplumbaneC6H18Pb2
  8154 Hexamethyldiplumbane (Geo)C6H18Pb2
  8155 Pb(II)(Cp)F2 (VALVOT) (Geo)C20H30B2F8Pb2
  8156 Pb(II)S3 (GIGBIH) (Geo)C8N4S4Pb2
  8157 Pb(II)S3 (GIGBIH)C8N4S4Pb2
  8158 bis(mu-2-iodo)-tetrakis(iodo)-di-lead (GOGNEV) (Geo)I6Pb2
  8159 Bismuth, dicationBi


ΔHf: -267.7 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.
  
 PM7
Pb(II)O6I2 (TOJPIR)
 H=-267.7 HR=PW91D
 Pb     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  I     3.01961296 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.95050508 +1   86.6514598 +1    0.0000000 +0     1     2     0
  C     1.41909836 +1  107.3488425 +1  112.8647541 +1     3     1     2
  C     1.52747087 +1  102.5872436 +1  -55.8736087 +1     4     3     1
  O     1.42548008 +1  102.7777431 +1   80.7532545 +1     5     4     3
  C     1.42315565 +1  112.8664834 +1  167.6377117 +1     6     5     4
  C     1.52695388 +1  102.7103051 +1 -174.9637567 +1     7     6     5
  O     1.42575314 +1  102.2259885 +1  -75.8277685 +1     8     7     6
  C     1.42508537 +1  113.2791705 +1 -170.5227535 +1     9     8     7
  C     1.42097296 +1  114.0508984 +1  126.3649078 +1     3     1     4
  I     3.01611793 +1   93.9933581 +1 -179.6029106 +1     1     3     2
  O     2.30101953 +1   90.7000127 +1 -151.3333501 +1    10     9     8
  C     1.42595135 +1  153.1567138 +1 -121.5660666 +1    13    10     9
  C     1.52706297 +1  102.3815605 +1 -160.4441231 +1    14    13    10
  O     1.42166994 +1  102.7629606 +1  -77.3258021 +1    15    14    13
  C     1.42456707 +1   40.4040845 +1   11.9821416 +1    13    10    14
  O     2.29948598 +1   94.7293580 +1   24.5926604 +1    11     3     1
  C     1.41851811 +1  153.9684538 +1  107.2862867 +1    18    11     3
  C     1.42412817 +1  112.8804207 +1 -175.5525457 +1    16    15    14
  C     1.41958095 +1   40.4825967 +1   -2.6637480 +1    18    11    19
  H     1.10861295 +1  109.6736408 +1  119.1489593 +1     4     3     5
  H     1.10256572 +1  110.3613522 +1  121.2938990 +1     4     3    22
  H     1.10198535 +1  112.0365819 +1  118.5687774 +1     5     4     6
  H     1.10883578 +1  112.2243110 +1  124.3931998 +1     5     4    24
  H     1.10291851 +1  110.1388586 +1  119.4199178 +1     7     6     8
  H     1.10867952 +1  109.4836179 +1  121.1952842 +1     7     6    26
  H     1.10826597 +1  112.5149885 +1  117.3489322 +1     8     7     9
  H     1.10237211 +1  112.1054932 +1  124.6767999 +1     8     7    28
  H     1.10833429 +1  109.5802462 +1   83.8065683 +1    10     9    13
  H     1.10254554 +1  110.0681494 +1  121.2253108 +1    10     9    30
  H     1.10847985 +1  109.4374323 +1  -82.1902885 +1    11     3    18
  H     1.10167694 +1  110.4105169 +1 -121.4339896 +1    11     3    32
  H     1.10223459 +1  110.2932060 +1  119.4299020 +1    14    13    15
  H     1.10843143 +1  109.3455517 +1  121.1225984 +1    14    13    34
  H     1.10865627 +1  112.1097610 +1  117.4783057 +1    15    14    16
  H     1.10289741 +1  111.9452322 +1  124.2491121 +1    15    14    36
  H     1.10272772 +1  110.0489658 +1 -119.3212493 +1    17    13    10
  H     1.10843849 +1  109.5642750 +1 -121.2346891 +1    17    13    38
  H     1.10222754 +1  110.3143443 +1   57.4142922 +1    19    18    11
  H     1.10845069 +1  109.8117352 +1 -121.4040150 +1    19    18    40
  H     1.10890070 +1  109.0452692 +1  -71.7018897 +1    20    16    15
  H     1.10179035 +1  110.4950269 +1  121.1432607 +1    20    16    42
  H     1.10184040 +1  110.3076721 +1  119.6107337 +1    21    18    11
  H     1.10831254 +1  109.7227967 +1  121.4882463 +1    21    18    44