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

li(i)o4cl (cejqir)   2400 Li(I)O4Cl (CEJQIR)

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    #  Species Formula
  2390 3-Chlorobenzoic acidC7H5O2Cl
  2391 4-Chlorobenzoic acidC7H5O2Cl
  2392 Nitryl chlorideNO2Cl
  2393 NO2Cl (Geo)NO2Cl
  2394 O3ClO3Cl
  2395 B3O3H2ClH2B3O3Cl
  2396 O4Cl(-)O4Cl
  2397 HOClO3 (Geo)HO4Cl
  2398 HOClO3HO4Cl
  2399 Li(I)O4Cl (CEJQIR) (Geo)H20LiC8O4Cl
  2400 Li(I)O4Cl (CEJQIR) H20LiC8O4Cl
  2401 Li(+)(H2O)5.ClH10LiO5Cl
  2402 Li(+)(H2O)5.Cl (Geo)H10LiO5Cl
  2403 Li(I)O6 (FIVTEK) (Geo)H20LiC8O8Cl
  2404 Li(I)O6 (FIVTEK) (corrected for ClO4(-) error in PW91D)H20LiC8O8Cl
  2405 Chlorine fluorideFCl
  2406 Chlorine fluoride (Geo)FCl
  2407 Hydrogen chloride fluoride, anionHFCl
  2408 Lithium chloride fluorideLi2FCl
  2409 Beryllium chloride fluorideBeFCl
  2410 FluorochloromethaneCH2FCl


ΔHf: -264.7 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.
  
 PM7
Li(I)O4Cl (CEJQIR)
 H=-264.7 HR=PW91D
 Li     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.17790721 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.22986563 +1  117.0626708 +1    0.0000000 +0     1     2     0
  O     2.32810447 +1   95.4546557 +1  -78.4961024 +1     1     2     3
  C     1.42266383 +1  107.3989188 +1  -92.8351858 +1     3     1     2
  C     1.41305861 +1  121.9644644 +1 -133.5845843 +1     3     1     5
  C     1.42369890 +1   94.2846486 +1   81.5591245 +1     4     1     2
  C     1.41990965 +1  111.1010593 +1 -116.3799410 +1     4     1     7
  H     1.10504123 +1  109.0540010 +1  158.3571414 +1     5     3     1
  H     1.10593660 +1  110.0670409 +1  120.2365364 +1     5     3     9
  H     1.10120247 +1  103.4426343 +1  -50.2578880 +1     6     3     1
  H     1.09441105 +1  111.4287962 +1  118.7762351 +1     6     3    11
  H     1.09561502 +1  110.6779210 +1  123.7331592 +1     6     3    12
  H     1.10536450 +1  109.5171131 +1 -173.0868672 +1     7     4     1
  H     1.11327817 +1  110.3977106 +1  119.7333382 +1     7     4    14
  H     1.09742936 +1  103.7239221 +1  -66.8117017 +1     8     4     1
  H     1.10186256 +1  112.0791362 +1  117.9795034 +1     8     4    16
  H     1.09390381 +1  109.6712798 +1  123.6927513 +1     8     4    17
  O     2.23083975 +1  117.4398193 +1 -101.4032890 +1     1     2     4
  C     1.42258396 +1  107.1616857 +1  -92.6973171 +1    19     1     2
  C     1.53106571 +1  104.7166431 +1   38.7096815 +1    20    19     1
  O     1.42363009 +1  104.1998086 +1  -79.2255033 +1    21    20    19
  C     1.41985473 +1  112.7897158 +1 -176.9421521 +1    22    21    20
  H     1.09755557 +1  103.7763230 +1 -170.2456882 +1    23    22    21
  H     1.10194429 +1  112.1247321 +1  117.9250312 +1    23    22    24
  H     1.09389223 +1  109.5751334 +1  123.7007048 +1    23    22    25
  H     1.10510574 +1  111.1739461 +1 -117.7853351 +1    21    20    22
  H     1.11353158 +1  112.7723761 +1 -122.4972066 +1    21    20    27
  H     1.10525050 +1  109.0077681 +1  119.4197278 +1    20    19    21
  H     1.10607356 +1  110.1270645 +1  120.1501739 +1    20    19    29
  C     1.41315156 +1  121.9632444 +1 -133.2572719 +1    19     1    20
  H     1.10122773 +1  103.4321290 +1  -50.2741562 +1    31    19     1
  H     1.09442368 +1  111.4541879 +1  118.7779541 +1    31    19    32
  H     1.09562684 +1  110.6450446 +1  123.7329629 +1    31    19    33