Accuracy

licl.h2o   2373 LiCl.H2O

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    #  Species Formula
  2363 Cyanogen chloride (Geo)CNCl
  2364 3-Chloro-4-methylanilineC7H8NCl
  2365 Be(II)N3Cl(+) (VALHEW) (Geo)H27BeC12N3Cl
  2366 Li(I)N3Cl (GAJYAR) (Geo)H27LiC21N3Cl
  2367 Li(I)N3Cl (GAJYAR)H27LiC21N3Cl
  2368 Chlorine oxideOCl
  2369 Chlorine monoxide (Geo)OCl
  2370 Hypochlorous acidHOCl
  2371 Lithium oxychloride (Geo)LiOCl
  2372 Lithium hypochloriteLiOCl
  2373 LiCl.H2O H2LiOCl
  2374 LiCl.H2O (Geo)H2LiOCl
  2375 BOClBOCl
  2376 Carbonyl chloride (COCl)COCl
  2377 Acetyl chlorideC2H3OCl
  2378 Acetyl chloride (Geo)C2H3OCl
  2379 3-ChlorophenolC6H5OCl
  2380 4-ChlorophenolC6H5OCl
  2381 2-ChlorobenzaldehydeC7H5OCl
  2382 Benzoyl chlorideC7H5OCl
  2383 Nitrosyl chlorideNOCl


ΔHf: -114.8 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
LiCl.H2O
 H=-114.8 HR=PW91D
 Li     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.29140843 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.04527586 +1  164.8984140 +1    0.0000000 +0     1     2     0
  H     0.96215743 +1  126.6596824 +1  -77.6497649 +1     2     1     3
  H     0.96200696 +1  127.3248711 +1  168.3139248 +1     2     1     4