Accuracy

sr(ii)(h2o)6r   4501 Sr(II)(H2O)6 (Geo)

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    #  Species Formula
  4491 Sr(II)N4 (WAGCIR)C22H42N4Sr
  4492 Sr(II)N8(2+) (TAQNAA) (Geo)C8H32N8Sr
  4493 Sr(II)N8(2+) (TAQNAA)C8H32N8Sr
  4494 Sr(II)N9(2+) (TAPMOM) (Geo)C12H39N9Sr
  4495 Strontium oxide (Geo)OSr
  4496 Strontium oxideOSr
  4497 Strontium hydroxide radical (Geo)HOSr
  4498 Strontium di-hydroxideH2O2Sr
  4499 Sr(II)(Cp)2O2 (VOLNOZ) (Geo)C26H42O2Sr
  4500 Sr(II)(H2O)6H12O6Sr
  4501 Sr(II)(H2O)6 (Geo) H12O6Sr
  4502 Sr(II)O6N2(2+) (SUTZIQ) (Geo)C12H30N2O6Sr
  4503 Sr(II)O6N2(2+) (SUTZIQ)C12H30N2O6Sr
  4504 Sr(II)O8(2+) (POXKOC) (Geo)H16O8Sr
  4505 Sr(II)O8(2+) (POXKOC)H16O8Sr
  4506 Sr(II)O9(2+) (WAZFUY) (Geo)C12H36N6O9Sr
  4507 Sr(II)O9(2+) (WAZFUY)C12H36N6O9Sr
  4508 Sr(II)O8(2+) (NASYEL) (Geo)C10H30O10Sr
  4509 Sr(II)O8(2+) (NASYEL)C10H30O10Sr
  4510 Strontium fluorideFSr
  4511 Sr(II)(H2O)5.FH10O5FSr


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=2 PM7
Sr(II)(H2O)6
 <Sr-O> GR=PW91D
 Sr     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.59170700 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.20091076 +1  100.1176099 +1    0.0000000 +0     1     2     0
  O     2.18066417 +1   70.4136843 +1   88.8835395 +1     1     2     3
  O     2.20084763 +1   99.6037274 +1   87.8487934 +1     1     2     4
  O     2.17707008 +1   71.4307662 +1   91.9109816 +1     1     2     5
  O     2.17411798 +1  106.9123377 +1  179.4665775 +1     1     6     2
  H     0.96766045 +1  128.0295987 +1    1.8067940 +1     2     1     3
  H     0.96748950 +1  127.5363443 +1  178.2022218 +1     2     1     8
  H     0.96944632 +1  127.2394372 +1   -1.2900942 +1     7     1     3
  H     0.96945098 +1  127.2883963 +1  175.9990110 +1     7     1    10
  H     0.97234302 +1  121.6406819 +1   -0.3559157 +1     4     1     2
  H     0.96890188 +1  133.0771013 +1 -179.8537964 +1     4     1    12
  H     0.96962006 +1  131.6904628 +1  179.6652131 +1     6     1     2
  H     0.97160696 +1  123.0305969 +1  179.7717883 +1     6     1    14
  H     0.97131770 +1  127.1016055 +1   85.1206204 +1     3     1     2
  H     0.97138908 +1  127.6371715 +1 -168.0674182 +1     3     1    16
  H     0.97117765 +1  127.7189044 +1   85.3297088 +1     5     1     2
  H     0.97110835 +1  126.8781791 +1 -167.4082155 +1     5     1    18