Accuracy

sr(ii)(h2o)6   4500 Sr(II)(H2O)6

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    #  Species Formula
  4490 Sr(II)N4 (WAGCIR) (Geo)C22H42N4Sr
  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)6 H12O6Sr
  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


ΔHf: -87.1 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.
  
 CHARGE=2 PM7
Sr(II)(H2O)6
 H=-87.1 HR=PW91D
 Sr     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.21044075 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.21008913 +1   89.9571790 +1    0.0000000 +0     1     2     0
  O     2.21149508 +1   90.1069970 +1   89.8640679 +1     1     2     3
  O     2.21076174 +1   90.0159830 +1   89.8726640 +1     1     2     4
  O     2.20934694 +1   89.9975026 +1   90.2001529 +1     1     2     5
  O     2.21045026 +1   89.7793096 +1  179.8614417 +1     1     6     2
  H     0.96968432 +1  127.6111732 +1    0.1271538 +1     2     1     3
  H     0.96962218 +1  127.6133092 +1  179.9555446 +1     2     1     8
  H     0.96962519 +1  127.7394422 +1    0.2363548 +1     7     1     3
  H     0.96965344 +1  127.4964024 +1  179.1762126 +1     7     1    10
  H     0.96966308 +1  127.6067458 +1    0.0273924 +1     4     1     2
  H     0.96959150 +1  127.6379941 +1 -179.9655258 +1     4     1    12
  H     0.96965554 +1  127.5503564 +1  179.9478320 +1     6     1     2
  H     0.96965568 +1  127.6662179 +1 -179.8443575 +1     6     1    14
  H     0.96963356 +1  127.5647969 +1   90.1051720 +1     3     1     2
  H     0.96967046 +1  127.6582861 +1  179.5510033 +1     3     1    16
  H     0.96966734 +1  127.6625779 +1   89.9522933 +1     5     1     2
  H     0.96960149 +1  127.5740830 +1 -179.6598771 +1     5     1    18