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

lioh.2h2or   1305 LiOH.2H2O (Geo)

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  1295 N,N-Dimethyl-m-nitroanilineC8H10N2O2
  1296 N,N-Dimethyl-p-nitroanilineC8H10N2O2
  1297 TryptophanC11H12N2O2
  1298 Be(II)N2O2 (XEFSEG) (Geo)H16BeC22N2O2
  1299 Imidodicarbonic diamideC2H5N3O2
  1300 HistidineC6H9N3O2
  1301 ArgenineC6H14N4O2
  1302 Ozone (Geo)O3
  1303 OzoneO3
  1304 LiOH.2H2OH5LiO3
  1305 LiOH.2H2O (Geo) H5LiO3
  1306 Li(+)(H2O)3H6LiO3
  1307 Li(+)(H2O)3 (Geo)H6LiO3
  1308 Be3O3Be3O3
  1309 Boric acid, B(OH)3 (Geo)H3BO3
  1310 TrihydroxyboraneH3BO3
  1311 B2O3B2O3
  1312 Diboron trioxide (Geo)B2O3
  1313 B2O3H2H2B2O3
  1314 B2O3H2 (Geo)H2B2O3
  1315 B3O3H3H3B3O3


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
LiOH.2H2O
 <Li-O(H2)> <><> <Li-O(H)> GR=PW91D
 Li     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.02861500 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.45819157 +1  126.3386361 +1    0.0000000 +0     1     2     0
  O     1.81020700 +1   74.3174824 +1  175.3325178 +1     1     2     3
  H     1.13090329 +1   72.7217133 +1 -173.2866836 +1     2     1     3
  H     0.92852058 +1  150.5347915 +1  -95.0485226 +1     2     1     5
  H     0.95786951 +1  130.4453990 +1  177.9343418 +1     3     1     2
  H     0.95904322 +1  123.8944272 +1 -174.7846096 +1     3     1     7
  H     0.90043936 +1  167.2380463 +1 -150.9257270 +1     4     1     2