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

sr(ii)o8(2plus) (poxkoc)   4507 Sr(II)O8(2+) (POXKOC)

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  4497 Strontium oxide (Geo)OSr
  4498 Strontium oxideOSr
  4499 Strontium hydroxide radical (Geo)HOSr
  4500 Strontium di-hydroxideH2O2Sr
  4501 Sr(II)(Cp)2O2 (VOLNOZ) (Geo)C26H42O2Sr
  4502 Sr(II)(H2O)6H12O6Sr
  4503 Sr(II)(H2O)6 (Geo)H12O6Sr
  4504 Sr(II)O6N2(2+) (SUTZIQ) (Geo)C12H30N2O6Sr
  4505 Sr(II)O6N2(2+) (SUTZIQ)C12H30N2O6Sr
  4506 Sr(II)O8(2+) (POXKOC) (Geo)H16O8Sr
  4507 Sr(II)O8(2+) (POXKOC) H16O8Sr
  4508 Sr(II)O9(2+) (WAZFUY) (Geo)C12H36N6O9Sr
  4509 Sr(II)O9(2+) (WAZFUY)C12H36N6O9Sr
  4510 Sr(II)O8(2+) (NASYEL) (Geo)C10H30O10Sr
  4511 Sr(II)O8(2+) (NASYEL)C10H30O10Sr
  4512 Strontium fluorideFSr
  4513 Sr(II)(H2O)5.FH10O5FSr
  4514 Sr(II)(H2O)5.F (Geo)H10O5FSr
  4515 Strontium difluorideF2Sr
  4516 cis-Sr(II)(H2O)4.F2H8O4F2Sr
  4517 cis-Sr(II)(H2O)4.F2 (Geo)H8O4F2Sr


ΔHf: -212.7 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)O8(2+) (POXKOC)
 H=-212.7 HR=PW91D
 Sr     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.25951661 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.26844432 +1   79.2410550 +1    0.0000000 +0     1     2     0
  O     2.26277420 +1   74.6705101 +1  -74.3836107 +1     1     2     3
  O     2.26334108 +1  142.2461732 +1   40.6725730 +1     1     2     4
  O     2.26684988 +1  146.5685686 +1  164.3944661 +1     1     2     5
  O     2.26488385 +1   77.4652529 +1  -55.4687936 +1     1     2     6
  O     2.28083387 +1  106.3254032 +1  139.5164708 +1     1     2     7
  O     2.27921109 +1   69.6354594 +1  -63.7601564 +1     1     2     8
  H     0.96512595 +1  123.4387795 +1  -61.1713027 +1     2     1     3
  H     0.96600380 +1  123.2296160 +1  144.6137760 +1     2     1    10
  H     0.96871112 +1  119.3067134 +1 -171.8087539 +1     3     1     2
  H     0.96270898 +1  128.2739628 +1 -146.4904340 +1     3     1    12
  H     0.96754798 +1  118.9552219 +1   80.3711168 +1     4     1     2
  H     0.96201422 +1  134.8842408 +1 -173.5504186 +1     4     1    14
  H     0.96806223 +1  120.7363416 +1  162.1271030 +1     5     1     2
  H     0.96439256 +1  125.4447048 +1  143.6064838 +1     5     1    16
  H     0.96403370 +1  130.2391652 +1  -62.0497728 +1     6     1     2
  H     0.96634218 +1  120.7833041 +1  156.1907951 +1     6     1    18
  H     0.96367043 +1  131.5858150 +1 -126.8027773 +1     7     1     2
  H     0.96679382 +1  119.8691479 +1 -157.0885219 +1     7     1    20
  H     0.96589308 +1  122.0852634 +1  -39.0076978 +1     8     1     2
  H     0.96459525 +1  129.5692373 +1  156.7991403 +1     8     1    22
  H     0.96142685 +1  133.1407760 +1  177.3529907 +1     9     1     2
  H     0.96747563 +1  119.7985307 +1 -166.5359437 +1     9     1    24