Accuracy

sr(ii)(h2o)5.f   4511 Sr(II)(H2O)5.F

(Previous)     (Back)     (Next)         Geometry predicted using PM7

    

    #  Species Formula
  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.F H10O5FSr
  4512 Sr(II)(H2O)5.F (Geo)H10O5FSr
  4513 Strontium difluorideF2Sr
  4514 cis-Sr(II)(H2O)4.F2H8O4F2Sr
  4515 cis-Sr(II)(H2O)4.F2 (Geo)H8O4F2Sr
  4516 Sr(II)N6F3 (UDIRAA) (Geo)C20H20B2N12F8Sr
  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


ΔHf: -298.6 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.F
 H=-298.6 HR=PW91D
 Sr     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  F     1.77808296 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.25897742 +1   81.7714367 +1    0.0000000 +0     1     2     0
  O     2.27903018 +1   80.0732666 +1   76.9681416 +1     1     2     3
  O     2.23530249 +1  127.8810514 +1   95.1342931 +1     1     2     4
  O     2.27608865 +1   80.1380281 +1   58.4311046 +1     1     2     5
  O     2.19869953 +1  100.9189767 +1 -148.3741840 +1     1     6     2
  H     0.96725376 +1  119.5649276 +1  -68.7255071 +1     7     1     4
  H     0.95988402 +1  129.8598783 +1  155.1484978 +1     7     1     8
  H     0.97481893 +1  109.6855706 +1    6.5287599 +1     4     1     2
  H     0.95907477 +1  137.2974362 +1  142.7473704 +1     4     1    10
  H     0.96415180 +1  123.8447349 +1  105.3426812 +1     6     1     2
  H     0.97762010 +1  108.6141270 +1 -121.9907046 +1     6     1    12
  H     0.97028277 +1  111.7739410 +1   81.6831287 +1     3     1     2
  H     0.97430140 +1  111.2892938 +1 -114.9695863 +1     3     1    14
  H     0.97271733 +1  113.6658552 +1   67.8674528 +1     5     1     2
  H     0.96351596 +1  127.5930528 +1 -133.6453848 +1     5     1    16