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

licl.h2or   2375 LiCl.H2O (Geo)

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    #  Species Formula
  2365 3-Chloro-4-methylanilineC7H8NCl
  2366 Be(II)N3Cl(+) (VALHEW) (Geo)H27BeC12N3Cl
  2367 Li(I)N3Cl (GAJYAR) (Geo)H27LiC21N3Cl
  2368 Li(I)N3Cl (GAJYAR)H27LiC21N3Cl
  2369 Chlorine oxideOCl
  2370 Chlorine monoxide (Geo)OCl
  2371 Hypochlorous acidHOCl
  2372 Lithium oxychloride (Geo)LiOCl
  2373 Lithium hypochloriteLiOCl
  2374 LiCl.H2OH2LiOCl
  2375 LiCl.H2O (Geo) H2LiOCl
  2376 BOClBOCl
  2377 Carbonyl chloride (COCl)COCl
  2378 Acetyl chlorideC2H3OCl
  2379 Acetyl chloride (Geo)C2H3OCl
  2380 3-ChlorophenolC6H5OCl
  2381 4-ChlorophenolC6H5OCl
  2382 2-ChlorobenzaldehydeC7H5OCl
  2383 Benzoyl chlorideC7H5OCl
  2384 Nitrosyl chlorideNOCl
  2385 NOCl (Geo)NOCl


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
 <Li-O> <Li-Cl> GR=PW91D
 Li     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.94875000 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.16291500 +1  163.6860776 +1    0.0000000 +0     1     2     0
  H     0.96619644 +1  126.7292279 +1  -78.0291747 +1     2     1     3
  H     0.96602247 +1  127.1599806 +1  165.7597050 +1     2     1     4