Accuracy

anthracene    333 Anthracene

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    #  Species Formula
   323 HexamethylbenzeneC12H18
   324 HexylcyclohexaneC12H24
   325 n-DuodecaneC12H26
   326 Tri-isobutylboraneH27BC12
   327 Tri-s-butylboraneH27BC12
   328 TributylboraneH27BC12
   329 FluoreneC13H10
   330 o-Methyl bipheny (Torsion angle) (Geo)C13H12
   331 Tri-t-butylmethaneC13H28
   332 TridecaneC13H28
   333 Anthracene C14H10
   334 DiphenylethyneC14H10
   335 PhenanthreneC14H10
   336 9,10-Dihydro-phenanthreneC14H12
   337 9-Methyl-9H-fluoreneC14H12
   338 OctaleneC14H12
   339 StilbeneC14H12
   340 1,2,3,4-TetrahydrophenanthreneC14H14
   341 4,4'-DimethylbiphenylC14H14
   342 BibenzylC14H14
   343 o,o'-Dimethyl biphenyl, for torsion (Torsion angle) (Geo)C14H14


ΔHf: 55.2 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
I.P.: 8.2 eV,     REF: R. D. Levin, S. G. Lias, "Ionization Potentials and Appearance Potential Measurements," 1971-1981, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand. 71, (1982), Cat. No. C13.48:71.
  
 PM7
Anthracene
 H=55.2 HR=C&P1970 I=8.16 IR=LLNBS82
  C     0.00000000 +0   0.00000000 +0   0.00000000 +0
  C     1.42382747 +1   0.00000000 +0   0.00000000 +0
  C     2.11522971 +1   1.21394565 +1   0.00000000 +0
  C    -0.69034772 +1   1.21467706 +1   0.00000000 +0
  C     2.11729384 +1  -1.25624239 +1   0.00000000 +0
  C    -0.69304367 +1  -1.25634824 +1   0.00000000 +0
  C     0.00102206 +1   2.42883474 +1   0.00000000 +0
  C    -0.00234045 +1  -2.43035898 +1   0.00000000 +0
  C     1.42475073 +1   2.42843424 +1   0.00000000 +0
  C     1.42670457 +1  -2.43021270 +1   0.00000000 +0
  H    -1.77970053 +1   1.21504344 +1   0.00000000 +0
  H    -1.78148155 +1  -1.24100244 +1   0.00000000 +0
  H     3.20441417 +1   1.21359887 +1   0.00000000 +0
  H     3.20552011 +1  -1.24060038 +1   0.00000000 +0
  H    -0.51799983 +1  -3.38846259 +1   0.00000000 +0
  H     1.94256161 +1  -3.38843999 +1   0.00000000 +0
  C    -0.69200468 +1   3.68527454 +1   0.00000000 +0
  C     2.11874671 +1   3.68441431 +1   0.00000000 +0
  C    -0.00048948 +1   4.85884177 +1   0.00000000 +0
  C     1.42861304 +1   4.85868428 +1   0.00000000 +0
  H    -1.78031253 +1   3.67032212 +1   0.00000000 +0
  H     3.20715774 +1   3.66823816 +1   0.00000000 +0
  H     1.94468391 +1   5.81646852 +1   0.00000000 +0
  H    -0.51615432 +1   5.81755571 +1   0.00000000 +0