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

ozone   1303 Ozone

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  1293 IsophthalamideC8H8N2O2
  1294 TeraphthalamideC8H8N2O2
  1295 N,N-Dimethyl-m-nitroanilineC8H10N2O2
  1296 N,N-Dimethyl-p-nitroanilineC8H10N2O2
  1297 TryptophanC11H12N2O2
  1298 Be(II)N2O2 (XEFSEG) (Geo)H16BeC22N2O2
  1299 Imidodicarbonic diamideC2H5N3O2
  1300 HistidineC6H9N3O2
  1301 ArgenineC6H14N4O2
  1302 Ozone (Geo)O3
  1303 Ozone O3
  1304 LiOH.2H2OH5LiO3
  1305 LiOH.2H2O (Geo)H5LiO3
  1306 Li(+)(H2O)3H6LiO3
  1307 Li(+)(H2O)3 (Geo)H6LiO3
  1308 Be3O3Be3O3
  1309 Boric acid, B(OH)3 (Geo)H3BO3
  1310 TrihydroxyboraneH3BO3
  1311 B2O3B2O3
  1312 Diboron trioxide (Geo)B2O3
  1313 B2O3H2H2B2O3


ΔHf: 34.1 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: 0.5 Debye,     REF: R. D. Nelson, D. R. Lide, A. A. Maryott, Nat. Stand. Ref. Data Set., Natl. Bur. Stand. No. 10 (1967).
I.P.: 12.8 eV,     REF: D. B. Chambers, G. E. Coates, F. Glonkling, J. Chem. Soc., A. 741 (1970).
  
 SYMMETRY PM7
Ozone
 D=0.53 I=12.75 H=34.1 HR=JANAF86 DR=NLM1967 IR=CCG1970 HWT=0.5
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.17995500 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.17995500 +0  127.1360727 +1    0.0000000 +0     2     1     0