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

li(plus)(h2o)5.clr   2402 Li(+)(H2O)5.Cl (Geo)

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    #  Species Formula
  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
  2411 OFClOFCl
  2412 Carbonyl fluoride chlorideCOFCl


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(+)(H2O)5.Cl
 <Li-O> <><> <><><> <Li-Cl> GR=PW91D
 Li     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.19753000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     4.03127064 +1   85.6390440 +1    0.0000000 +0     1     2     0
  O     3.54863503 +1  122.1075567 +1   60.0040416 +1     1     2     3
 Cl     2.94868700 +1   69.1599333 +1  -13.6099081 +1     1     2     4
  O     2.25007549 +1  109.8042120 +1   66.8892346 +1     1     2     5
  O     2.18392129 +1   95.3695931 +1 -150.0367748 +1     1     2     6
  H     0.96129320 +1  123.7556417 +1 -129.0471211 +1     2     1     3
  H     0.98305884 +1   99.8246322 +1  112.5816427 +1     2     1     8
  H     0.98276325 +1   75.0549499 +1   39.4574144 +1     3     1     2
  H     0.96182642 +1   94.4781621 +1  102.2665070 +1     3     1    10
  H     0.94976346 +1  179.9932885 +1 -174.5574174 +1     4     1     2
  H     0.98567193 +1   74.1208320 +1  153.3951582 +1     4     1    12
  H     0.98435743 +1  100.7761350 +1 -123.2892390 +1     6     1     2
  H     0.96162846 +1  116.7960663 +1  110.6708761 +1     6     1    14
  H     0.95200379 +1  136.9049189 +1  -64.5216081 +1     7     1     2
  H     0.99835249 +1  111.5619601 +1  142.4703687 +1     7     1    16