Accuracy

sr(ii)(h2o)5.br   4536 Sr(II)(H2O)5.Br

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    #  Species Formula
  4526 Strontium chlorideClSr
  4527 Sr(II)(H2O)5.ClH10O5ClSr
  4528 Sr(II)(H2O)5.Cl (Geo)H10O5ClSr
  4529 Strontium dichloride, cationCl2Sr
  4530 Strontium dichloride (Geo)Cl2Sr
  4531 Strontium dichlorideCl2Sr
  4532 cis-Sr(II)(H2O)4.Cl2H8O4Cl2Sr
  4533 cis-Sr(II)(H2O)4.Cl2 (Geo)H8O4Cl2Sr
  4534 Strontium monobromide (Geo)BrSr
  4535 Strontium monobromideBrSr
  4536 Sr(II)(H2O)5.Br H10O5BrSr
  4537 Sr(II)(H2O)5.Br (Geo)H10O5BrSr
  4538 Strontium dibromideBr2Sr
  4539 Sr(II)N5Br2 (TANWAG) (Geo)C25H25N5Br2Sr
  4540 Sr(II)N5Br2 (TANWAG)C25H25N5Br2Sr
  4541 cis-Sr(II)(H2O)4.Br2H8O4Br2Sr
  4542 cis-Sr(II)(H2O)4.Br2 (Geo)H8O4Br2Sr
  4543 Yttrium, cationY
  4544 Yttrium, atomY
  4545 Trimethyl yttrium(III) (Geo)C3H9Y
  4546 Bicyclopentadienyl yttrium(II) (Geo)C10H10Y


ΔHf: -254.6 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=1 PM7
Sr(II)(H2O)5.Br
 H=-254.6 HR=PW91D
 Sr     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Br     2.56933798 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.19195132 +1   84.5971809 +1    0.0000000 +0     1     2     0
  O     2.22133449 +1   78.5520544 +1   76.9110799 +1     1     2     3
  O     2.21297003 +1  158.9015360 +1   95.9553557 +1     1     2     4
  O     2.21543100 +1   82.0111899 +1    9.6404880 +1     1     2     5
  O     2.22309893 +1   78.3976075 +1  -79.0092612 +1     1     6     2
  H     0.98048349 +1  117.2417992 +1  -10.4504099 +1     7     1     4
  H     0.96184065 +1  133.8691036 +1  155.5178771 +1     7     1     8
  H     0.98090888 +1  116.1852246 +1   -0.6409730 +1     4     1     2
  H     0.96268792 +1  132.9790386 +1  149.1335489 +1     4     1    10
  H     0.97245844 +1  115.6262659 +1   80.9105325 +1     6     1     2
  H     0.97606971 +1  118.2218606 +1 -123.1905642 +1     6     1    12
  H     0.97029087 +1  118.2817563 +1   92.2277357 +1     3     1     2
  H     0.97419077 +1  119.6074567 +1 -128.7159747 +1     3     1    14
  H     0.96253011 +1  133.7888750 +1  174.0230551 +1     5     1     2
  H     0.96847859 +1  119.6493339 +1 -170.9450947 +1     5     1    16