PM7 Accuracy

meso-2,3-diethyl-2,3-dimethylsuccinodinitrile    667 Meso-2,3-diethyl-2,3-dimethylsuccinodinitrile

(Previous)     (Back)     (Next)         Geometry predicted using PM7

   

    #  Species Formula
   657 5-QuinolinamineC9H8N2
   658 6-QuinolinamineC9H8N2
   659 8-QuinolinamineC9H8N2
   660 2-(Diethylamino)-pentanenitrileC9H18N2
   661 2,2-BipyridylC10H8N2
   662 2,4-BipyridylC10H8N2
   663 4,4'-BipyridineC10H8N2
   664 2,3-Dimethyl quinoxalineC10H10N2
   665 alpha N,N-dimethylamino phenylacetonitrileC10H12N2
   666 Ethyl(1,1-dimethylpropyl)malonodinitrileC10H16N2
   667 Meso-2,3-diethyl-2,3-dimethylsuccinodinitrile C10H16N2
   668 Methyl(1,1,2-trimethylpropyl)malonodinitrileC10H16N2
   669 PhenazineC12H8N2
   670 PhenazoneC12H8N2
   671 cis-AzobenzeneC12H10N2
   672 Diphenyl diazeneC12H10N2
   673 4,4'-Dimethyl-2,2'-bipyridineC12H12N2
   674 1,(1-Piperidinyl) cyclohexanecarbonitrileC12H20N2
   675 Li(I)(Cp)N2 (SIJNII) (Geo)H23LiC12N2
   676 Li(I)(Cp)N2 (SIJNII)H23LiC12N2
   677 a-Phenyl-1-piperidineacetonitrileC13H16N2


DHf: 15.3 kcal/mol,     REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
  
 PM7
Meso-2,3-diethyl-2,3-dimethylsuccinodinitrile
 H=15.31 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.52635804  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.55074372  1  113.0155314  1    0.0000000  0     2     1     0
  C     1.46000425  1  108.1145683  1   62.1090568  1     3     2     1
  C     1.58049707  1  110.4473144  1  118.7933361  1     3     2     4
  C     1.45940397  1  108.8966334  1  -49.9436844  1     5     3     2
  C     1.54891596  1  110.3800818  1  119.8193907  1     5     3     6
  C     1.52728863  1  113.0045135  1 -168.0183751  1     7     5     3
  C     1.53734348  1  110.5779748  1  122.1054992  1     5     3     7
  C     1.53532261  1  110.6618543  1  123.0899749  1     3     2     5
  N     1.15623112  1  143.5514975  1  179.4742859  1     6     3     5
  N     1.15607179  1  142.5211142  1  178.6541179  1     4     2     3
  H     1.09784986  1  111.8726230  1  -54.0014414  1     1     2     3
  H     1.09536543  1  112.1212862  1  121.1208770  1     1     2    13
  H     1.09794156  1  110.7906108  1  119.6532131  1     1     2    14
  H     1.10758520  1  109.5656541  1 -122.4487104  1     2     1     3
  H     1.11054351  1  109.0561725  1 -115.1829983  1     2     1    16
  H     1.10839249  1  109.0905689  1 -121.8748915  1     7     5     8
  H     1.10816922  1  110.1005166  1 -115.8511099  1     7     5    18
  H     1.09600844  1  112.2332093  1  -56.2836854  1     8     7     5
  H     1.09826814  1  111.8852951  1  120.6967714  1     8     7    20
  H     1.09682472  1  110.9276629  1  119.4234967  1     8     7    21
  H     1.09570352  1  111.8184563  1  -58.7595001  1     9     5     3
  H     1.09927711  1  112.0775114  1  120.6887638  1     9     5    23
  H     1.09825784  1  111.4129494  1  119.3859555  1     9     5    24
  H     1.09656364  1  112.2247474  1 -171.2227698  1    10     3     2
  H     1.09620908  1  111.5620834  1  121.2467717  1    10     3    26
  H     1.09946144  1  111.2285763  1  119.2247828  1    10     3    27