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

mg(ii)2(cp)2cl4o2 (lakleo)   2531 Mg(II)2(Cp)2Cl4O2 (LAKLEO)

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    #  Species Formula
  2521 Dichlorodifluoromethane (Geo)CF2Cl2
  2522 DifluorodichloromethaneCF2Cl2
  2523 1,2-Dichloro 1,1,2,2-tetrafluoroethaneC2F4Cl2
  2524 Sodium chloride, dimer (Geo)Na2Cl2
  2525 Sodium chloride, dimerNa2Cl2
  2526 Magnesium dichlorideMgCl2
  2527 Magnesium dichloride (Geo)MgCl2
  2528 Mg(II)O4Cl2 (CEXWUX10) (Geo)C8H20O6MgCl2
  2529 Mg(II)O4Cl2 (CEXWUX10)C8H20O6MgCl2
  2530 Mg(II)2(Cp)2Cl4O2 (LAKLEO) (Geo)C18H30O2Mg2Cl2
  2531 Mg(II)2(Cp)2Cl4O2 (LAKLEO) C18H30O2Mg2Cl2
  2532 AlCl2, cationAlCl2
  2533 Aluminum dichlorideAlCl2
  2534 Aluminum dichloride, anionAlCl2
  2535 Aluminum dichloride fluorideFAlCl2
  2536 Dichlorosilylene (Geo)SiCl2
  2537 Silicon dichlorideSiCl2
  2538 DichlorosilaneH2SiCl2
  2539 DichloromethylsilaneCH4SiCl2
  2540 DichlorodimethylsilaneC2H6SiCl2
  2541 Phosphorus dichloridePCl2


ΔHf: -247.9 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)2(Cp)2Cl4O2 (LAKLEO)
 H=-247.9 HR=PW91D
 Mg     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Mg     3.28962704 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.06733105 +1   94.6899781 +1    0.0000000 +0     2     1     0
  C     2.17978277 +1  133.9894669 +1  166.1691651 +1     2     1     3
 Cl     2.32827332 +1   45.8350088 +1  -83.9530538 +1     1     2     3
  C     2.30453151 +1   97.6153376 +1 -141.7642124 +1     4     2     1
  C     1.43302195 +1   71.8222078 +1  -95.6344200 +1     6     4     2
  C     1.44893323 +1   98.7069331 +1  -71.8241705 +1     4     2     6
  C     1.43239705 +1  111.6654409 +1  -95.9895105 +1     3     2     1
  C     1.51618941 +1  111.1368557 +1  -42.6141456 +1     9     3     2
  C     1.43678776 +1  108.8851588 +1 -129.7757201 +1     3     2     9
  C     1.51600917 +1  109.7755997 +1 -160.6067892 +1    11     3     2
  H     1.07873222 +1  103.3741794 +1 -127.4702419 +1     4     2     8
  H     2.20404375 +1   59.4686825 +1 -177.1962725 +1     6     4     7
  H     1.06671679 +1  163.5392295 +1   -0.4866485 +1     6     4    14
  H     1.06682124 +1  124.5325315 +1 -179.1502547 +1     7     6     4
  H     1.06868766 +1  124.1618381 +1  -88.2403732 +1     8     4     2
  H     1.11375800 +1  100.9731117 +1  120.2301974 +1     9     3    10
  H     1.10243167 +1  108.9616140 +1  114.9544709 +1     9     3    18
  H     1.09764809 +1  111.5578767 +1 -159.7797263 +1    10     9     3
  H     1.10360966 +1  112.8848120 +1 -119.0856110 +1    10     9    20
  H     1.10559332 +1  112.1661995 +1 -121.6702484 +1    10     9    21
  H     1.10665161 +1  109.8658295 +1 -125.4478379 +1    11     3    12
  H     1.11769702 +1  101.8733258 +1 -116.3798367 +1    11     3    23
  H     1.09862397 +1  110.9236862 +1  161.6335563 +1    12    11     3
  H     1.10058898 +1  110.8434666 +1 -118.8460188 +1    12    11    25
  H     1.09522551 +1  112.8509971 +1 -120.9129961 +1    12    11    26
 Cl     2.32785679 +1   45.8514105 +1   97.7754938 +1     2     1     4
  O     2.06806330 +1   93.9742202 +1  -96.0142402 +1     1     2     5
  C     2.17832451 +1  134.5361499 +1 -165.1181459 +1     1     2    29
  C     1.45261423 +1   94.1421192 +1  104.7389644 +1    30     1     2
  C     1.38583324 +1  108.5380630 +1   97.7208485 +1    31    30     1
  C     1.43326355 +1  108.5036264 +1    1.7633517 +1    32    31    30
  C     1.44927255 +1   98.9041824 +1  106.6391030 +1    30     1    31
  C     1.43231870 +1  111.6674240 +1   97.0053642 +1    29     1     2
  C     1.43680122 +1  108.8251632 +1  129.6865166 +1    29     1    35
  H     1.07892808 +1  103.3009884 +1  127.4622616 +1    30     1    34
  H     1.07052799 +1  124.2652246 +1  177.9333830 +1    31    30    32
  H     1.06665416 +1  126.8605021 +1  178.1899477 +1    32    31    33
  H     1.06679673 +1  124.5103342 +1  178.0218545 +1    33    32    31
  H     1.06864924 +1  124.1383136 +1   88.1011228 +1    34    30     1
  C     1.51636339 +1  111.1139173 +1   42.2653062 +1    35    29     1
  H     1.11377555 +1  100.9905655 +1 -120.2080265 +1    35    29    42
  H     1.10236850 +1  108.9999405 +1 -114.9673630 +1    35    29    43
  C     1.51600316 +1  109.8043810 +1  160.9190200 +1    36    29     1
  H     1.10664057 +1  109.8768135 +1  125.4586507 +1    36    29    45
  H     1.11778373 +1  101.8711520 +1  116.3769488 +1    36    29    46
  H     1.09768537 +1  111.5442182 +1  159.7450010 +1    42    35    29
  H     1.10357574 +1  112.8695171 +1  119.0878398 +1    42    35    48
  H     1.10562294 +1  112.1529206 +1  121.7519072 +1    42    35    49
  H     1.09858513 +1  110.9068767 +1 -161.2675950 +1    45    36    29
  H     1.10059580 +1  110.8524484 +1  118.8192505 +1    45    36    51
  H     1.09515895 +1  112.8728989 +1  120.9530962 +1    45    36    52
  C     1.07031566 +1   30.0958464 +1   -1.6200283 +1    14     6     4