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

ch.c.cn    469 CH.C.CN

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    #  Species Formula
   459 Acetonitrile (Geo)C2H3N
   460 Methyl isocyanide (Geo)C2H3N
   461 Methyl isocyanideC2H3N
   462 Ethyleneimine (Azirane) (Geo)C2H5N
   463 Ethyleneimine (Azirane)C2H5N
   464 Dimethyl nitrogen, anionC2H6N
   465 DimethylamineC2H7N
   466 EthylamineC2H7N
   467 Dimethylamine (Geo)C2H7N
   468 N,N-Dimethylamine diboraneC2H11B2N
   469 CH.C.CN HC3N
   470 CH.C.CN (Geo)HC3N
   471 AcrylonitrileC3H3N
   472 Acrylonitrile (Geo)C3H3N
   473 Ethyl cyanideC3H5N
   474 CyclopropylamineC3H7N
   475 IsopropylamineC3H9N
   476 Trimethylamine (Geo)C3H9N
   477 n-PropylamineC3H9N
   478 TrimethylamineC3H9N
   479 Trimethyamine-Borane adductH12BC3N


Dipole: 3.7 Debye,     REF: R. D. Nelson, D. R. Lide, A. A. Maryott, Nat. Stand. Ref. Data Set., Natl. Bur. Stand. No. 10 (1967).
I.P.: 11.8 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
CH.C.CN
 DR=NLM1967 D=3.72 I=11.75 IR=LLNBS82
  N     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.15936409 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.37235142 +1  180.0000000 +0    0.0000000 +0     2     1     0
  C     1.21252290 +1  180.0000000 +0  180.0000000 +0     3     2     1
  H     1.03453342 +1  180.0000000 +0  180.0000000 +0     4     3     2