Accuracy

phenyl cyanide    516 Phenyl cyanide

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    #  Species Formula
   506 AnilineC6H7N
   507 2,5-Dimethyl-1H-pyrroleC6H9N
   508 CyclopentanecarbonitrileC6H9N
   509 2-MethylpiperidineC6H13N
   510 CyclohexamethylenimineC6H13N
   511 CyclohexanamineC6H13N
   512 Di-n-propylamineC6H15N
   513 DiiospropylamineC6H15N
   514 TriethylamineC6H15N
   515 Trimethylborane-TrimethylamineH18BC6N
   516 Phenyl cyanide C7H5N
   517 1-CyclohexenecarbonitrileC7H9N
   518 2,6-DimethylpyridineC7H9N
   519 2-CyclohexenecarbonitrileC7H9N
   520 BenzylamineC7H9N
   521 m-ToluidineC7H9N
   522 N-MethylanilineC7H9N
   523 o-ToluidineC7H9N
   524 p-ToluidineC7H9N
   525 CyanocyclohexaneC7H11N
   526 CyclohexanecarbonitrileC7H11N


ΔHf: 51.5 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
I.P.: 9.7 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
Phenyl cyanide
 H=51.5 HR=C&P1970 I=9.7 IR=LLNBS82
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.39232212 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39449833 +1  120.1032753 +1    0.0000000 +0     2     1     0
  C     1.39473569 +1  120.2412906 +1    0.0080673 +1     3     2     1
  C     1.39216582 +1  120.1157080 +1    0.0053519 +1     4     3     2
  C     1.39916852 +1  119.4986009 +1   -0.0033574 +1     5     4     3
  H     1.08973695 +1  119.8962325 +1  179.9997814 +1     3     2     1
  H     1.08952781 +1  119.9755642 +1 -179.9998861 +1     4     3     2
  H     1.09027082 +1  120.4185757 +1  179.9997862 +1     5     4     3
  C     1.42136601 +1  119.6907084 +1  179.9935425 +1     6     5     4
  N     1.15752799 +1  179.9684137 +1   14.1845897 +1    10     6     5
  H     1.09026527 +1  120.1567400 +1 -179.9998681 +1     1     6     5
  H     1.08948396 +1  119.8576279 +1  179.9988147 +1     2     1     6