Accuracy

li(plus)(h2o)4   1366 Li(+)(H2O)4

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    #  Species Formula
  1356 PRO-PROC10H16N2O3
  1357 Val-val (Geo)C10H20N2O3
  1358 VAL-VALC10H20N2O3
  1359 Ile-ile (Geo)C12H24N2O3
  1360 ILE-ILEC12H24N2O3
  1361 LEU-LEUC12H24N2O3
  1362 Naphthoquinone dye (Torsion angle) (Geo)C21H20N2O3
  1363 1,3,5-Triazine-2,4,6(1H,3H,5H)-trioneC3H3N3O3
  1364 1,3,5-Trimethyl-s-triazine-2,4,6-trioneC6H9N3O3
  1365 2,4,6-Trimethoxy-s-triazineC6H9N3O3
  1366 Li(+)(H2O)4 H8LiO4
  1367 Li(+)(H2O)4 (Geo)H8LiO4
  1368 Li(I)(H2O)4(+) (BADTUV10) (Geo)H8LiO4
  1369 Li(I)(H2O)4(+) (BADTUV10)H8LiO4
  1370 B(OH)4, anion (Geo)H4BO4
  1371 TetrahydroxydiboraneH4B2O4
  1372 Oxalic acidC2H2O4
  1373 Formic acid, dimer (Geo)C2H4O4
  1374 Formic acid, dimerC2H4O4
  1375 DioxybismethanolC2H6O4
  1376 (C2H4)BO4H2, anion (Geo)H6BC2O4


ΔHf: -142.2 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.
  
 CHARGE=1 PM7
Li(+)(H2O)4
 H=-142.2 HR=PW91D
 Li     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.28957423 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.29304885 +1  108.9160333 +1    0.0000000 +0     1     2     0
  O     2.29579503 +1  107.1537205 +1  116.6523050 +1     1     2     3
  O     2.29156271 +1  110.7523066 +1  118.3086045 +1     1     2     4
  H     0.96338124 +1  127.7392640 +1  158.1672908 +1     2     1     3
  H     0.96350334 +1  127.1713590 +1 -174.0506394 +1     2     1     6
  H     0.96334003 +1  128.9861834 +1  -88.1356462 +1     3     1     2
  H     0.96369123 +1  126.1171905 +1 -176.2578916 +1     3     1     8
  H     0.96326534 +1  128.4148828 +1  173.4482612 +1     4     1     2
  H     0.96350326 +1  126.6779498 +1 -179.9775956 +1     4     1    10
  H     0.96362181 +1  126.7774660 +1  -88.7287131 +1     5     1     2
  H     0.96340786 +1  128.4196883 +1 -179.5480020 +1     5     1    12