# Species Formula 700 Li(I)N4(+) (PIKWAH)H32LiC12N4 701 AdenineC5H5N5 702 MelamineC3H6N6 703 Be(II)3N6 (DMABET10) (Geo)C12H36Be3N6 704 Oxygen, atomO 705 Hydroxyl radicalHO 706 Hydroxide, anionHO 707 Water (Geo)H2O 708 WaterH2O 709 Hydronium, cationH3O 710 Lithium oxide (LiO) (Geo) LiO 711 Lithium oxide (LiO)LiO 712 Lithium hydroxide (Geo)HLiO 713 Lithium hydroxideHLiO 714 Lithium oxide (Li2O) (Geo)Li2O 715 Lithium oxide (Li2O)Li2O 716 Beryllium oxide (Geo)BeO 717 Beryllium hydroxideHBeO 718 Beryllium oxideBe2O 719 BO (Geo)BO 720 Boron oxideBO
RELSCF=0.1 OPEN(1,2) NOANCI DELTA=0.05 MECI PM7 Lithium oxide (LiO) GWT=0.5 <Li-O> GR=YFH1989 Li 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 O 1.68822100 +1 0.0000000 +0 0.0000000 +0 1 0 0