{cbm4.spc} #include atoms #DEFVAR NO = N + O ; {nitric oxide} NO2 = N + 2O ; {nitrogen dioxide} NO3 = N + 3O ; {nitrogen trioxide} N2O5 = 2N + 5O ; {dinitrogen pentoxide} HONO = H + 2O + N ; {nitrous acid} HNO3 = H + N + 3O ; { nitric acid } PNA = H + 4 O + N ; {HO2NO2 peroxynitric acid} O1D_CB4 = O ; {oxygen atomic first singlet state} O = O ; {oxygen atomic ground state (3P)} HO = O + H ; {hydroxyl radical} O3 = 3O ; {ozone} HO2 = H + 2O ; {perhydroxyl radical} H2O2 = 2H + 2O ; {hydrogen peroxide} HCHO = C + 2H + O ; {formalydehyde} ALD2 = IGNORE ; {high molecular weight aldehides} C2O3 = 2C + 3H + 3O ; {CH3CO(O)OO peroxyacyl radical} PAN = 2C + 3H + 5O + N ; {CH3C(O)OONO2, peroxyacyl nitrate} PAR = IGNORE ; {parafin carbon bond} ROR = IGNORE ; {secondary organic oxy radical} OLE = IGNORE ; {olefinic carbon bond} ETH = 2C + 4H ; {CH2=CH2 ethene} TOL = 7C + 8H ; {C6H5-CH3 toluene} CRES = IGNORE ; {cresol and h.m.w. phenols} TO2 = IGNORE ; {toluene-hydroxyl radical adduct} CRO = IGNORE ; {methylphenoxy radical} OPEN = IGNORE ; {h.m.w. aromatic oxidation ring fragment} XYL = 8C + 10H ; {C6H4-(CH3)2 xylene} MGLY = 3C + 4H + 2O ; {CH3C(O)C(O)H methylglyoxal} ISOP = IGNORE ; {isoprene} XO2 = IGNORE ; {NO-to-NO2 operation} XO2N = IGNORE ; {NO-to-nitrate operation} CO = C + O ; {carbon monoxide} #DEFFIX H2O = H + 2O ; {water}