Accuracy

tl(iii)(h2o)6r   8007 Tl(III)(H2O)6 (Geo)

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    #  Species Formula
  7997 TlBO2 (Geo)BO2Tl
  7998 Tl(III)C2O2 (MTLACA) (Geo)C7H13O2Tl
  7999 Tl(III)C2O2 (MTLACA)C7H13O2Tl
  8000 Thallium tris-8-quinolinol (Geo)C27H18N3O3Tl
  8001 Thallium tris-8-quinolinolC27H18N3O3Tl
  8002 TlOH.3(H2O)H7O4Tl
  8003 TlOH.3(H2O) (Geo)H7O4Tl
  8004 Tl(I)(H2O)4H8O4Tl
  8005 Tl(I)(H2O)4 (Geo)H8O4Tl
  8006 Tl(III)(H2O)6H12O6Tl
  8007 Tl(III)(H2O)6 (Geo) H12O6Tl
  8008 Thallium(III) tris-acetate (Geo)C6H9O6Tl
  8009 Thallium(III) tris-acetateC6H9O6Tl
  8010 Tl(III)O8(-) (THACTH) (Geo)C8H12O8Tl
  8011 Tl(III)O8(-) (THACTH)C8H12O8Tl
  8012 Thallium(III)(EDTA) (Geo)C10H12N2O8Tl
  8013 Thallium(III)(EDTA)C10H12N2O8Tl
  8014 Thallium fluorideFTl
  8015 Thallium fluoride (TlF) (Geo)FTl
  8016 [Tl(III)F(H2O)5](2+)H10O5FTl
  8017 [Tl(III)F(H2O)5](2+) (Geo)H10O5FTl


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.
  
 CHARGE=3 PM7
Tl(III)(H2O)6
 <Tl-O> GR=PW91D
 Tl     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.57556200 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.33381600 +1   94.8906406 +1    0.0000000 +0     1     2     0
  O     2.33306169 +1   94.8618747 +1   88.7503594 +1     1     2     3
  O     2.33590200 +1   95.6955294 +1   89.1973093 +1     1     2     4
  O     2.31874736 +1   66.6895543 +1   90.0940568 +1     1     2     5
  O     2.31948202 +1  167.4832561 +1   -0.6399069 +1     1     2     6
  H     0.99160885 +1  123.1541864 +1  -16.6191573 +1     2     1     3
  H     0.99169296 +1  123.2968406 +1 -140.1796904 +1     2     1     8
  H     0.98986193 +1  126.6450781 +1  178.2391702 +1     7     1     5
  H     0.98972961 +1  126.3070991 +1 -176.7980857 +1     7     1    10
  H     0.98910058 +1  128.4565201 +1   -2.8378240 +1     4     1     2
  H     0.99287681 +1  125.5095787 +1 -179.8582885 +1     4     1    12
  H     0.98927653 +1  129.6887757 +1  176.9771126 +1     6     1     2
  H     0.98883120 +1  122.3617228 +1 -177.7159922 +1     6     1    14
  H     0.99167500 +1  126.0547048 +1   93.0677736 +1     3     1     2
  H     0.99237347 +1  125.7125708 +1 -160.2353676 +1     3     1    16
  H     0.99303688 +1  125.1309441 +1   72.1493189 +1     5     1     2
  H     0.99197929 +1  126.0222073 +1 -157.2336591 +1     5     1    18