Accuracy

mg(ii)o4cl2 (cexwux10)   2528 Mg(II)O4Cl2 (CEXWUX10)

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    #  Species Formula
  2518 DichlorofluorboraneBFCl2
  2519 FluorodichloromethaneHCFCl2
  2520 Dichlorodifluoromethane (Geo)CF2Cl2
  2521 DifluorodichloromethaneCF2Cl2
  2522 1,2-Dichloro 1,1,2,2-tetrafluoroethaneC2F4Cl2
  2523 Sodium chloride, dimer (Geo)Na2Cl2
  2524 Sodium chloride, dimerNa2Cl2
  2525 Magnesium dichlorideMgCl2
  2526 Magnesium dichloride (Geo)MgCl2
  2527 Mg(II)O4Cl2 (CEXWUX10) (Geo)C8H20O6MgCl2
  2528 Mg(II)O4Cl2 (CEXWUX10) C8H20O6MgCl2
  2529 Mg(II)2(Cp)2Cl4O2 (LAKLEO) (Geo)C18H30O2Mg2Cl2
  2530 Mg(II)2(Cp)2Cl4O2 (LAKLEO)C18H30O2Mg2Cl2
  2531 AlCl2, cationAlCl2
  2532 Aluminum dichlorideAlCl2
  2533 Aluminum dichloride, anionAlCl2
  2534 Aluminum dichloride fluorideFAlCl2
  2535 Dichlorosilylene (Geo)SiCl2
  2536 Silicon dichlorideSiCl2
  2537 DichlorosilaneH2SiCl2
  2538 DichloromethylsilaneCH4SiCl2


ΔHf: -481.0 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.
  
 PM7
Mg(II)O4Cl2 (CEXWUX10)
 H=-481.0 HR=PW91D
 Mg     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.30937009 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.15181048 +1   87.1462309 +1    0.0000000 +0     1     2     0
  O     2.27855777 +1   90.3362761 +1  -72.1146018 +1     1     2     3
  C     1.21922227 +1  112.3262930 +1 -124.9013601 +1     4     1     2
  C     2.38331943 +1   88.4563575 +1   91.0090243 +1     5     4     1
  C     1.48095917 +1  127.7244720 +1  173.6951926 +1     5     4     6
  C     1.51807780 +1  131.7496051 +1 -143.3770430 +1     6     5     4
 Cl     2.23747273 +1   87.7111058 +1  157.2057069 +1     1     4     2
  O     2.27376011 +1   78.1280209 +1  -98.6173983 +1     1     2     4
  O     2.12887844 +1   84.4133469 +1 -113.2540780 +1     1     2    10
  C     1.22764329 +1  117.7675314 +1   56.9607915 +1    11     1     2
  O     1.33194552 +1  122.4103554 +1   69.1963015 +1    12    11     1
  C     1.48271387 +1  125.1524669 +1  177.0517635 +1    12    11    13
  C     1.44848406 +1  117.9778256 +1   -3.5993396 +1    13    12    11
  C     1.51655185 +1  104.0225536 +1  154.8760063 +1    15    13    12
  H     0.98159543 +1  102.8657468 +1  -55.9195588 +1     3     1     2
  H     1.10944716 +1   85.4054828 +1  117.5595369 +1     6     5     8
  H     1.10437079 +1  100.6910150 +1  108.0447044 +1     6     5    18
  H     1.10729036 +1  111.5591613 +1  130.7076860 +1     7     5     4
  H     1.09909685 +1  112.0220952 +1  120.4784706 +1     7     5    20
  H     1.10779397 +1  110.7477207 +1  121.6283121 +1     7     5    21
  H     1.09619317 +1  112.5278504 +1   45.5160255 +1     8     6     5
  H     1.09977564 +1  111.2335941 +1 -119.4525747 +1     8     6    23
  H     1.09816627 +1  110.8114645 +1 -119.5601324 +1     8     6    24
  H     0.97102429 +1  104.8144597 +1  120.8576450 +1    10     1     2
  H     1.11236334 +1  109.5712698 +1   75.2480969 +1    14    12    11
  H     1.10112482 +1  111.4363451 +1 -117.8234155 +1    14    12    27
  H     1.10019811 +1  113.1087922 +1 -122.6962734 +1    14    12    28
  H     1.11164073 +1  106.1050581 +1  119.1853149 +1    15    13    16
  H     1.10863554 +1  110.2950788 +1  119.7020862 +1    15    13    30
  H     1.09874936 +1  110.3480432 +1  176.1534566 +1    16    15    13
  H     1.09668475 +1  111.7729147 +1  120.0473956 +1    16    15    32
  H     1.09783203 +1  111.5518105 +1  120.2078470 +1    16    15    33
  H     0.98108830 +1  102.1744599 +1  107.7643201 +1     3     1    17
  H     0.97386945 +1  107.8514948 +1 -113.2908298 +1    10     1    26
  O     1.34952918 +1  120.6706106 +1 -177.6932586 +1     5     4     7