Accuracy

###
883 Oxygen (Singlet)

(Previous) (Back) (Next) Geometry predicted using PM7

###  |  |
# | Species | Formula
873 | Dimethyl furazan | C4H6N2O |
874 | Isopropylurea | C4H10N2O |
875 | 5-Amino-3,4-dimethylisoxazole | C5H8N2O |
876 | (1-Methylpropyl) urea | C5H12N2O |
877 | N,N-diethylurea | C5H12N2O |
878 | Tetramethylurea | C5H12N2O |
879 | CEB (Torsion angle) (Geo) | C13H12N2O |
880 | 1D88_B3P (Torsion angle) (Geo) | C14H14N2O |
881 | 4-Amino-2(1H)-pyrimidinone | C4H5N3O |
882 | 2ME_B3P (Torsion angle) (Geo) | C22H26N4O |
883 | Oxygen (Singlet) | O2 |
884 | Hydrogen peroxide (Geo) | H2O2 |
885 | Hydrogen peroxide | H2O2 |
886 | Carbon dioxide | CO2 |
887 | Carbon dioxide (Geo) | CO2 |
888 | Formate, anion | HCO2 |
889 | Formic acid | CH2O2 |
890 | Formic acid (Geo) | CH2O2 |
891 | trans Glyoxal (Geo) | C2H2O2 |
892 | trans Glyoxal | C2H2O2 |
893 | Acetate, anion | C2H3O2 |

ΔHf: 22.0 kcal/mol

    Oxygen (Singlet)
     H=22.0 HR=GH1950
      O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
      O     1.21920494 +1    0.0000000 +0    0.0000000 +0     1     0     0