Accuracy

sr(ii)(h2o)5.cl   4527 Sr(II)(H2O)5.Cl

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    #  Species Formula
  4517 Sr(II)O4N4 (NUPSAS) (Geo)C30H18N4O4F12Sr
  4518 Sr(II)O8(2-) (RIZHAJ) (Geo)C20H16O8F12Sr
  4519 Sr(II)O8(2-) (RIZHAJ)C20H16O8F12Sr
  4520 Strontium sulfide (Geo)SSr
  4521 Strontium sulfideSSr
  4522 Sr(II)O4S2 (YUGMOC)a (Geo)C28H42O4S2Sr
  4523 Sr(II)O4S2 (YUGMOC)aC28H42O4S2Sr
  4524 Sr(II)O6N2 (FUYDAE) (Geo)C10H20N2O6S2Sr
  4525 Sr(II)O6N2 (FUYDAE)C10H20N2O6S2Sr
  4526 Strontium chlorideClSr
  4527 Sr(II)(H2O)5.Cl H10O5ClSr
  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.BrH10O5BrSr
  4537 Sr(II)(H2O)5.Br (Geo)H10O5BrSr


ΔHf: -265.3 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.Cl
 H=-265.3 HR=PW91D
 Sr     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.65128224 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.18355331 +1   74.5548836 +1    0.0000000 +0     1     2     0
  O     2.20634991 +1   72.3284797 +1   79.0392396 +1     1     2     3
  O     2.18382136 +1   74.5416537 +1  101.3908459 +1     1     2     4
  O     2.20902671 +1   72.4402807 +1   78.9991409 +1     1     2     5
  O     2.21341054 +1  107.1991012 +1  179.9386218 +1     1     6     2
  H     0.96591801 +1  127.3531481 +1  -75.1566706 +1     7     1     4
  H     0.96578770 +1  127.0039055 +1 -179.8923914 +1     7     1     8
  H     0.99108336 +1  109.8644666 +1   -1.9394960 +1     4     1     2
  H     0.96088655 +1  133.5310487 +1  136.7312105 +1     4     1    10
  H     0.96050402 +1  132.8616092 +1  132.6342751 +1     6     1     2
  H     0.99081039 +1  110.0339322 +1 -135.8341014 +1     6     1    12
  H     0.97009096 +1  118.8498924 +1   97.4080520 +1     3     1     2
  H     0.98619908 +1  112.0653860 +1 -120.2903506 +1     3     1    14
  H     0.97019550 +1  119.3500059 +1   99.0273090 +1     5     1     2
  H     0.98648299 +1  112.1229464 +1 -120.7190328 +1     5     1    16