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

nitrous acid, trans   1210 Nitrous acid, trans

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  1200 XanthoneC13H8O2
  1201 Phenyl benzoateC13H10O2
  1202 9,10-AnthroquinoneC14H8O2
  1203 9,10-PhenanthroquinoneC14H8O2
  1204 Nitrogen dioxide, cationNO2
  1205 Nitrogen dioxideNO2
  1206 Nitrogen dioxide (Geo)NO2
  1207 Nitrous acid (cis) (Geo)HNO2
  1208 Nitrous acid (trans) (Geo)HNO2
  1209 Nitrous acid, cisHNO2
  1210 Nitrous acid, trans HNO2
  1211 Methyl nitriteCH3NO2
  1212 NitromethaneCH3NO2
  1213 Ethyl nitriteC2H5NO2
  1214 GlycineC2H5NO2
  1215 Methyl carbamateC2H5NO2
  1216 NitroethaneC2H5NO2
  1217 AlanineC3H7NO2
  1218 beta-AlanineC3H7NO2
  1219 IsopropylnitriteC3H7NO2
  1220 N-MethylglycineC3H7NO2


ΔHf: -18.8 kcal/mol,     REF: M. W. Chase, C. A. Davies, J. R. Downey, D. R. Frurip, R. A. McDonald, A. N. Syverud, JANAF Thermochemical Tables, Third Edition, J. Phys. Chem. Ref. Data 14, Suppl. 1 (1985).
Dipole: 1.9 Debye,     REF: A. P. Cox, A. H. Brittain, D. J. Finnigan, Trans. Faraday Soc., 67, 2179, (1971).
  
 GEO-OK PM7
Nitrous acid, trans
 DR=CBF1971 HR=JANAF86 D=1.86 H=-18.8
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     1.38332440 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.17187457 +1  112.5344318 +1    0.0000000 +0     2     1     0
  H     0.99702136 +1  105.9054016 +1  180.0000000 +1     1     2     3