PM7 Accuracy

acridine    578 Acridine

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

   

    #  Species Formula
   568 1-Adamantyl cyanideC11H15N
   569 1-Adamantyl isocyanideC11H15N
   570 2-Methyl-6-t-butylanilineC11H17N
   571 n-UndecanenitrileC11H21N
   572 CarbazoleC12H9N
   573 2-BiphenylamineC12H11N
   574 BiphenylamineC12H11N
   575 2-n-Butyl-2-methylhexanenitrileC12H23N
   576 6,7-BenzoquinolineC13H9N
   577 a-BenzoquinolineC13H9N
   578 Acridine C13H9N
   579 Benzo[f]quinolineC13H9N
   580 PhenanthridineC13H9N
   581 N-MethylcarbazoleC13H11N
   582 1,2,3,4-Tetrahydro-N-methylcarbazoleC13H15N
   583 9-Ethyl-9H-carbazoleC14H13N
   584 TetradecanenitrileC14H27N
   585 DioctylamineC16H35N
   586 TriphenylamineC18H15N
   587 TrioctylamineC24H51N
   588 Nitrogen (Geo)N2


DHf: 65.5 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
Acridine
 H=65.46 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.36038628  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.43088388  1  120.7997135  1    0.0000000  0     2     1     0
  C     1.36226520  1  120.7932406  1    0.0002429  1     3     2     1
  C     1.43164830  1  120.4632765  1   -0.0009047  1     4     3     2
  C     1.44038737  1  119.9246499  1    0.0090814  1     1     2     3
  N     1.34829467  1  118.3423733  1  179.9894015  1     6     1     2
  C     1.34821913  1  118.9856471  1  179.9993586  1     7     6     1
  C     1.43216100  1  122.3520490  1   -0.0054078  1     8     7     6
  C     1.39637280  1  123.0141130  1 -179.9859884  1     5     4     3
  C     1.44059628  1  118.3466973  1  179.9962165  1     8     7     6
  C     1.36030535  1  119.9022480  1 -179.9964646  1    11     8     7
  C     1.43089897  1  120.8238110  1   -0.0035049  1    12    11     8
  C     1.43165627  1  118.7170637  1  179.9939907  1     9     8     7
  H     1.09084323  1  122.6037196  1 -179.9935684  1     1     2     3
  H     1.08954241  1  121.0460668  1 -179.9920250  1     2     1     6
  H     1.08884684  1  118.0961567  1  179.9958318  1     3     2     1
  H     1.08907639  1  121.3890814  1  179.9968958  1     4     3     2
  H     1.09036087  1  120.1050923  1   -0.0093516  1    10     5     4
  H     1.09081316  1  117.4513128  1    0.0078366  1    11     8     7
  H     1.08955832  1  121.0436389  1  179.9972161  1    12    11     8
  H     1.08881766  1  118.0896107  1  179.9998692  1    13    12    11
  H     1.08910773  1  118.1280266  1  179.9993158  1    14     9     8