Accuracy

sr(ii)o9(2plus) (wazfuy)   4507 Sr(II)O9(2+) (WAZFUY)

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    #  Species Formula
  4497 Strontium hydroxide radical (Geo)HOSr
  4498 Strontium di-hydroxideH2O2Sr
  4499 Sr(II)(Cp)2O2 (VOLNOZ) (Geo)C26H42O2Sr
  4500 Sr(II)(H2O)6H12O6Sr
  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.FH10O5FSr
  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


ΔHf: -217.7 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)O9(2+) (WAZFUY)
 H=-217.7 HR=PW91D
 Sr     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.27287739 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.44795314 +1  100.8173558 +1    0.0000000 +0     1     2     0
  O     2.31630942 +1   76.0537160 +1 -142.3648739 +1     1     2     3
  N     2.67851533 +1  105.2615155 +1  170.6802017 +1     2     1     3
  N     2.72970486 +1  100.4378625 +1 -135.3577296 +1     2     1     5
  N     2.72461718 +1  106.5315108 +1  108.5464289 +1     4     1     2
  C     1.47382567 +1   64.0156134 +1  -94.7037038 +1     5     2     1
  C     1.42749539 +1  127.1287921 +1   67.3149796 +1     2     1     6
  C     1.47573513 +1   60.7566872 +1   99.2438388 +1     6     2     1
  C     1.54336482 +1  106.0683911 +1 -100.4638943 +1    10     6     2
  C     1.47331370 +1   62.1637114 +1  -93.2048187 +1     7     4     1
  C     1.42475329 +1  129.0943185 +1  -66.8176007 +1     4     1     7
  O     2.37656588 +1   64.1984221 +1 -163.8056794 +1     1     2     4
  H     1.12538246 +1  109.5544655 +1 -141.7364668 +1     8     5     2
  H     1.12013343 +1  106.0559275 +1 -179.1187088 +1     9     2     1
  H     1.12826110 +1  108.7374650 +1 -115.7648175 +1    10     6    11
  H     1.11967849 +1  109.6417461 +1  -64.0994658 +1    11    10     6
  H     1.12648677 +1  109.4494131 +1 -143.7749900 +1    12     7     4
  H     1.11916800 +1  107.1439050 +1  178.7158498 +1    13     4     1
  H     1.00883106 +1  175.6222660 +1  -55.5780928 +1     5     2     8
  H     1.01006908 +1   74.2107985 +1  152.8810896 +1     5     2     9
  H     1.01050323 +1  110.8148618 +1  104.9988674 +1     6     2    10
  H     1.00569359 +1   53.4609530 +1   99.7098919 +1     6     2    23
  H     1.00325187 +1   75.6063244 +1  123.6800846 +1     7     4    12
  H     1.01022175 +1  174.0572095 +1 -168.5254038 +1     7     4    25
  H     0.99941589 +1  107.3110486 +1  129.1322251 +1     2     1     9
  H     1.98515015 +1  102.2103799 +1   88.2830273 +1    11    10    18
  H     0.98913938 +1  110.5909504 +1  138.1910774 +1     4     1    13
  O     2.29838423 +1  132.7573027 +1   17.8339207 +1     1     2    14
  O     2.14636076 +1   94.9670174 +1   33.2894675 +1    29     4     1
  O     2.70647751 +1  111.0049256 +1  126.6473067 +1    28    11    10
  O     2.21477839 +1   79.3580439 +1   53.4648836 +1     1     2    30
  C     1.41646086 +1  130.7097893 +1  165.0025692 +1    30     1     2
  H     0.99670679 +1  103.9868448 +1  128.0785814 +1    30     1    34
  C     1.41590429 +1  132.4764774 +1 -165.1327483 +1    31    29     4
  H     0.99446099 +1   94.0929677 +1 -121.3713716 +1    31    29    36
  C     1.41911493 +1  161.0185872 +1  131.1524282 +1    32    28    11
  H     0.99040458 +1   64.0260647 +1   59.4695559 +1    32    28    11
  C     1.54279408 +1  107.9638616 +1  154.9790742 +1    38    32    39
  C     1.54472790 +1  110.7341306 +1  167.7860581 +1    36    31    29
  H     1.12061295 +1  106.2821765 +1 -178.8181000 +1    34    30     1
  C     1.54880050 +1  109.4175367 +1  121.8550132 +1    38    32    40
  H     1.11873540 +1  107.1971079 +1  120.2100172 +1    36    31    41
  H     1.12014246 +1  107.4355532 +1  118.7692804 +1    38    32    43
  N     1.48458222 +1  109.1537141 +1  -54.7478932 +1    40    38    32
  H     1.12780909 +1  107.3897359 +1 -121.0211768 +1    40    38    46
  N     1.48289936 +1  108.1002742 +1   53.7388794 +1    41    36    31
  H     1.12979356 +1  107.4707496 +1  120.3714572 +1    41    36    48
  N     1.46980834 +1  105.8789056 +1   55.7651774 +1    43    38    32
  H     1.12663080 +1  108.4898578 +1  116.5619023 +1    43    38    50
  H     1.01512703 +1  111.7066398 +1 -173.5014788 +1    46    40    38
  H     1.01628389 +1  111.0952369 +1  119.9907179 +1    46    40    52
  H     1.01543620 +1  111.6199463 +1   68.5020057 +1    48    41    36
  H     1.01477508 +1  111.6022766 +1  120.7952258 +1    48    41    54
  H     1.00446410 +1  111.3098446 +1  -78.9901363 +1    50    43    38
  H     1.01107686 +1  113.2761735 +1 -124.2418373 +1    50    43    56
  H     0.99351085 +1  104.7083175 +1 -177.1416053 +1     3     1     2
  H     0.95842634 +1  148.9849118 +1  163.4026312 +1     3     1    58
  H     0.96477742 +1  118.7160652 +1 -152.4978461 +1    14     1     2
  H     0.96718666 +1  114.0030007 +1  123.7881077 +1    14     1    60
  H     0.96956482 +1  116.4025641 +1  -59.6430566 +1    33     1     2
  H     0.99813090 +1  109.2988043 +1 -116.1949493 +1    33     1    62
  O     0.99479063 +1   42.9637938 +1  -17.4438780 +1    28    11    32