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

sr(ii)o8(2plus) (nasyel)   4511 Sr(II)O8(2+) (NASYEL)

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    #  Species Formula
  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
  4518 Sr(II)N6F3 (UDIRAA) (Geo)C20H20B2N12F8Sr
  4519 Sr(II)O4N4 (NUPSAS) (Geo)C30H18N4O4F12Sr
  4520 Sr(II)O8(2-) (RIZHAJ) (Geo)C20H16O8F12Sr
  4521 Sr(II)O8(2-) (RIZHAJ)C20H16O8F12Sr


ΔHf: -276.8 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+) (NASYEL)
 H=-276.8 HR=PW91D
 Sr     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.24053631 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.22589630 +1   72.9970636 +1    0.0000000 +0     1     2     0
  O     2.22388931 +1   97.8740688 +1 -152.2945851 +1     1     2     3
  O     2.20507763 +1   84.0977531 +1   71.6721466 +1     1     2     4
  O     2.24851755 +1   69.1833146 +1 -147.2829623 +1     1     2     5
  O     2.21475831 +1  138.8573716 +1  -18.1691212 +1     1     2     6
  O     2.30451237 +1  140.9373070 +1 -126.6509820 +1     1     2     7
  O     2.83542305 +1   93.9463536 +1  -34.4268749 +1     8     1     2
  O     4.26348900 +1  164.0266632 +1  176.4162394 +1     1     2     8
  O     2.68408909 +1  127.0288643 +1 -172.1327320 +1     4     1     2
  C     1.42383364 +1  113.2321599 +1   20.6215331 +1     2     1     3
  C     1.42196406 +1  115.9774401 +1   10.1374132 +1     3     1     2
  C     1.42260675 +1  110.4814960 +1 -132.0751160 +1     4     1    11
  C     1.42451402 +1  118.2008803 +1 -106.2968474 +1     5     1     2
  C     1.42364440 +1  111.4589159 +1 -139.8472090 +1     6     1     2
  C     1.42500659 +1  120.0447764 +1   19.1427468 +1     7     1     2
  C     1.41795778 +1  132.6689467 +1  -45.7484393 +1     8     1     9
  C     1.42839503 +1   58.7074913 +1 -179.5153133 +1     9     8     1
  C     1.42466858 +1  117.9003641 +1   32.4015777 +1    10     1     2
  C     1.41587573 +1  129.0860906 +1  -24.1216621 +1    11     4     1
  H     0.98758175 +1  117.7031063 +1 -132.1711762 +1     2     1    12
  H     0.99439151 +1  109.5376003 +1 -127.7814603 +1     3     1    13
  H     0.99862463 +1  121.3125762 +1  132.4099602 +1     4     1    14
  H     0.98822802 +1  117.3645398 +1 -141.2358799 +1     5     1    15
  H     0.99006057 +1  111.8587604 +1 -124.9765823 +1     6     1    16
  H     1.00316361 +1  118.9177367 +1  140.0246160 +1     7     1    17
  H     0.98600148 +1  113.5739725 +1  159.5678797 +1     8     1    18
  H     0.97851020 +1  129.8904082 +1 -170.7714573 +1    10     1    20
  H     0.98382594 +1  168.8940549 +1  -29.4427009 +1     9     8    19
  H     0.97921401 +1  114.6529744 +1  154.8934419 +1    11     4    21
  H     1.10999195 +1  102.9197730 +1   73.6449129 +1    12     2     1
  H     1.10517700 +1  110.6702849 +1  117.0035326 +1    12     2    32
  H     1.10501507 +1  110.4821854 +1 -159.8504170 +1    13     3     1
  H     1.10869350 +1  103.3614445 +1 -116.8125029 +1    13     3    34
  H     1.10599406 +1  110.2542777 +1  175.0032852 +1    14     4     1
  H     1.11086359 +1  103.5606634 +1  117.7242174 +1    14     4    36
  H     1.10397155 +1  108.7653049 +1  -87.1640977 +1    15     5     1
  H     1.10785628 +1  108.5114818 +1 -120.1376686 +1    15     5    38
  H     1.10743411 +1  109.9984181 +1 -174.7233097 +1    16     6     1
  H     1.10878761 +1  103.2170357 +1 -116.6894194 +1    16     6    40
  H     1.10490286 +1  108.5365732 +1   93.9913417 +1    17     7     1
  H     1.10883512 +1  108.0838119 +1  119.2184646 +1    17     7    42
  H     1.10945638 +1  108.9113254 +1 -144.8237528 +1    18     8     1
  H     1.10767726 +1  103.3383850 +1  115.9522898 +1    18     8    44
  H     1.10851661 +1  109.6796220 +1  150.8599489 +1    19     9     8
  H     1.10851458 +1  106.8302231 +1  118.9471295 +1    19     9    46
  H     1.10701837 +1  109.9385407 +1  177.6606854 +1    20    10     1
  H     1.10618238 +1  106.2676261 +1  118.4581776 +1    20    10    48
  H     1.10873004 +1  103.3804673 +1  -40.4693877 +1    21    11     4
  H     1.10855905 +1  108.8608976 +1 -116.2346880 +1    21    11    50