PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

cis-Sr(II)(H2O)4.Cl2   4534 cis-Sr(II)(H2O)4.Cl2

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    #  Species Formula
  4524 Sr(II)O4S2 (YUGMOC)a (Geo)C28H42O4S2Sr
  4525 Sr(II)O4S2 (YUGMOC)aC28H42O4S2Sr
  4526 Sr(II)O6N2 (FUYDAE) (Geo)C10H20N2O6S2Sr
  4527 Sr(II)O6N2 (FUYDAE)C10H20N2O6S2Sr
  4528 Strontium chlorideClSr
  4529 Sr(II)(H2O)5.ClH10O5ClSr
  4530 Sr(II)(H2O)5.Cl (Geo)H10O5ClSr
  4531 Strontium dichloride, cationCl2Sr
  4532 Strontium dichloride (Geo)Cl2Sr
  4533 Strontium dichlorideCl2Sr
  4534 cis-Sr(II)(H2O)4.Cl2 H8O4Cl2Sr
  4535 cis-Sr(II)(H2O)4.Cl2 (Geo)H8O4Cl2Sr
  4536 Strontium monobromide (Geo)BrSr
  4537 Strontium monobromideBrSr
  4538 Sr(II)(H2O)5.BrH10O5BrSr
  4539 Sr(II)(H2O)5.Br (Geo)H10O5BrSr
  4540 Strontium dibromideBr2Sr
  4541 Sr(II)N5Br2 (TANWAG) (Geo)C25H25N5Br2Sr
  4542 Sr(II)N5Br2 (TANWAG)C25H25N5Br2Sr
  4543 cis-Sr(II)(H2O)4.Br2H8O4Br2Sr
  4544 cis-Sr(II)(H2O)4.Br2 (Geo)H8O4Br2Sr


ΔHf: -378.0 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.
Dipole: 5.0 Debye,     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.
  
 PM7
cis-Sr(II)(H2O)4.Cl2
 H=-378.0 HR=PW91D D=5.0 DR=PW91D
 Sr     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.69249007 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.17719192 +1   74.4079422 +1    0.0000000 +0     1     2     0
  O     2.21813219 +1   68.9978234 +1  113.8215288 +1     1     2     3
  O     2.17427104 +1   74.7212684 +1  121.7467353 +1     1     2     4
 Cl     2.68775526 +1  118.8723353 +1   62.4659458 +1     1     2     5
  O     2.21916400 +1  172.1905324 +1  179.2639123 +1     1     2     6
  H     0.98288259 +1  110.0291253 +1  112.2489343 +1     7     1     5
  H     0.97527856 +1  112.8896718 +1 -112.3530649 +1     7     1     8
  H     0.98521590 +1  109.5800742 +1   42.6164196 +1     4     1     2
  H     0.97337499 +1  113.6638095 +1 -112.7139186 +1     4     1    10
  H     0.97961889 +1  112.8378642 +1   -3.9426860 +1     3     1     2
  H     0.97937329 +1  112.9433276 +1 -119.0172429 +1     3     1    12
  H     0.97969125 +1  112.8630002 +1  122.5554316 +1     5     1     2
  H     0.97945544 +1  112.9863760 +1 -119.1008096 +1     5     1    14