PM7 Accuracy

ethyl cyclopentane    217 Ethyl cyclopentane

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

   

    #  Species Formula
   207 TolueneC7H8
   208 1,2-Dimethyl cyclopenteneC7H12
   209 1-Ethyl cyclopenteneC7H12
   210 1-Methyl cyclohexeneC7H12
   211 NorbornaneC7H12
   212 1,1-Dimethyl cyclopentaneC7H14
   213 1,2-cis-Dimethyl cyclopentaneC7H14
   214 1,2-trans-Dimethyl cyclopentaneC7H14
   215 1,3-cis-Dimethyl cyclopentaneC7H14
   216 1-HepteneC7H14
   217 Ethyl cyclopentane C7H14
   218 Methyl-cyclohexaneC7H14
   219 2,2,3-Trimethyl butaneC7H16
   220 2,2-Dimethyl pentaneC7H16
   221 2,3-Dimethyl pentaneC7H16
   222 2,4-Dimethyl pentaneC7H16
   223 2-Methyl hexaneC7H16
   224 3,3-Dimethyl pentaneC7H16
   225 3-Ethyl pentaneC7H16
   226 3-Methyl hexaneC7H16
   227 n-HeptaneC7H16


DHf: -30.4 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
Ethyl cyclopentane
 H=-30.37 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.54319366  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.54031935  1  106.2720367  1    0.0000000  0     2     1     0
  C     1.54215206  1  107.1536401  1  -12.3071511  1     3     2     1
  C     1.54294294  1  104.6313927  1   27.5841043  1     1     2     3
  C     1.53277299  1  112.9153031  1  121.6286850  1     1     2     5
  C     1.52938525  1  111.3977638  1   69.3926692  1     6     1     2
  H     1.11318846  1  109.2316477  1  121.6980426  1     1     2     6
  H     1.10259289  1  110.6647965  1 -120.0660216  1     2     1     3
  H     1.09966336  1  111.3493510  1 -118.0197608  1     2     1     9
  H     1.10142053  1  110.8053853  1 -121.2667929  1     3     2     4
  H     1.10173592  1  110.9548810  1 -117.7455627  1     3     2    11
  H     1.10050103  1  111.4756577  1 -129.5222869  1     4     3     2
  H     1.10257892  1  110.5680148  1 -118.0782850  1     4     3    13
  H     1.09914383  1  111.7476831  1 -154.2007055  1     5     1     2
  H     1.10265966  1  110.8084036  1 -118.7185796  1     5     1    15
  H     1.10682766  1  109.6299673  1  121.5432966  1     6     1     7
  H     1.10620355  1  110.2610317  1  116.0426541  1     6     1    17
  H     1.09577385  1  111.3502101  1  -59.5815983  1     7     6     1
  H     1.09566584  1  111.3957185  1  119.9604645  1     7     6    19
  H     1.09523883  1  111.2761268  1  120.0415883  1     7     6    20