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

cs(i)o6(plus) (csthxd)   6286 Cs(I)O6(+) (CSTHXD)

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    #  Species Formula
  6276 CsBO2BO2Cs
  6277 Cs-OBO (Geo)BO2Cs
  6278 Cs(I)(C6)2O2(+) (WIVRAU) (Geo)C26H24O2Cs
  6279 Cs(I)(C6)2O2(+) (WIVRAU)C26H24O2Cs
  6280 Cesium nitrite (Geo)NO2Cs
  6281 Cesium nitrateNO3Cs
  6282 Cesium nitrate (Geo)NO3Cs
  6283 Cs(+)(H2O)4H8O4Cs
  6284 Cs(+)(H2O)4 (Geo)H8O4Cs
  6285 Cs(I)O6(+) (CSTHXD) (Geo)C12H24O6Cs
  6286 Cs(I)O6(+) (CSTHXD) C12H24O6Cs
  6287 Cs(I)(Cp)O6 (QEXTOC) (Geo)C17H29O6Cs
  6288 Cs(I)(Cp)O6 (QEXTOC)C17H29O6Cs
  6289 Cs(I)O6N2(+) (CSCRYP10) (Geo)C18H36N2O6Cs
  6290 Cs(I)O6N2(+) (CSCRYP10)C18H36N2O6Cs
  6291 Cs(0)O8 (DUBCIM) (Geo)C24H48O12Cs
  6292 Cs(0)O8 (DUBCIM)C24H48O12Cs
  6293 Nonactin-cesium (NONACU) (Geo)C40H64O12Cs
  6294 Cesium fluorideFCs
  6295 Cesium fluoride (Geo)FCs
  6296 Cs(+)(H2O)3.FH6O3FCs


ΔHf: -193.4 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
Cs(I)O6(+) (CSTHXD)
 H=-193.4 HR=PW91D
 Cs     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     3.11202876 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     3.76809710 +1  130.8466155 +1    0.0000000 +0     1     2     0
  C     2.38597186 +1   71.7620444 +1  -25.9305514 +1     3     1     2
  C     1.53057874 +1  136.7466499 +1  -31.2257238 +1     4     3     1
  C     2.33785037 +1   80.9164674 +1   36.7810182 +1     2     1     3
  C     1.42388148 +1  105.9076978 +1  -30.6603869 +1     2     1     6
  C     1.42370998 +1  106.7245325 +1 -121.6470884 +1     2     1     7
  C     1.53037490 +1  104.6942999 +1  -51.3679267 +1     8     2     1
  C     2.39095494 +1  136.6278877 +1   94.6394765 +1     9     8     2
  C     1.53059285 +1  136.6324465 +1    0.8068562 +1    10     9     8
  C     2.38606091 +1  136.7354429 +1  -86.5951145 +1    11    10     9
  C     1.53059097 +1  136.8411211 +1   -1.1705930 +1    12    11    10
  H     2.19785367 +1   98.9809497 +1 -159.0615568 +1     3     1     4
  H     1.80516029 +1   65.7642474 +1   34.9002807 +1    14     3     1
  H     1.10804984 +1   86.3994564 +1 -112.3371613 +1     3     1    14
  H     1.10579483 +1  159.6160498 +1 -142.9424489 +1     3     1    16
  H     1.10799856 +1   87.3257315 +1  118.8026985 +1     4     3     5
  H     1.10581756 +1   96.0572864 +1  109.5087871 +1     4     3    18
  H     1.10598769 +1  111.9233488 +1 -152.4832275 +1     5     4     3
  H     1.10702017 +1  111.8866246 +1  123.1461415 +1     5     4    20
  H     1.10593503 +1  137.1148293 +1  173.5812029 +1     6     2     1
  H     1.10721215 +1   77.4484626 +1 -104.9348271 +1     6     2    22
  H     1.10803001 +1  110.5407020 +1  -67.3606243 +1     7     2     1
  H     1.10573706 +1  108.4364725 +1 -120.2391810 +1     7     2    24
  H     1.10798126 +1  110.6445873 +1  120.0436835 +1     8     2     9
  H     1.10588996 +1  108.2917954 +1  120.2036162 +1     8     2    26
  H     1.10599063 +1  111.9200118 +1  122.2244030 +1     9     8    10
  H     1.10702664 +1  111.8728680 +1  123.0953769 +1     9     8    28
  H     1.10591944 +1   93.6808004 +1  127.8312121 +1    10     9    11
  H     1.10715065 +1   89.9642683 +1  109.3492062 +1    10     9    30
  H     1.10801029 +1  111.3424480 +1  110.0574549 +1    11    10    12
  H     1.10576620 +1  112.1150498 +1  123.2644490 +1    11    10    32
  H     1.10800376 +1   87.6259141 +1  119.2629627 +1    12    11    13
  H     1.10572270 +1   95.6788074 +1  109.5298024 +1    12    11    34
  H     1.10595753 +1  111.9344799 +1 -151.5152408 +1    13    12    11
  H     1.10697999 +1  111.8685985 +1  123.1266336 +1    13    12    36
  O     1.42337382 +1  103.9401918 +1  119.2613788 +1    13    12    37
  O     1.42382756 +1   52.6252181 +1   23.4849785 +1     3     1    17
  O     1.42342169 +1  103.9422192 +1  119.1871932 +1     5     4    21
  O     1.42331755 +1  103.9801431 +1  119.2435834 +1     9     8    29
  O     1.42377519 +1  104.6243144 +1  117.1762798 +1    11    10    33
  C     1.10712443 +1   35.3179218 +1  -35.6901320 +1    15    14     3