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

pentyl cyclopentane    311 Pentyl cyclopentane

(Previous)     (Back)     (Next)        

   

    #  Species Formula
   301 PerhydrotriquinaceneC10H16
   302 1-Methyl-4-(1-methylethyl)-cyclohexeneC10H18
   303 4-Methyl-1-(1-methylethyl)-cyclohexeneC10H18
   304 cis-DecalinC10H18
   305 Spiro(4-5)decaneC10H18
   306 trans-DecalinC10H18
   307 (E)-2,2,5,5-Tetramethyl-3-hexeneC10H20
   308 (Z)-2,2,5,5-Tetramethyl-3-hexeneC10H20
   309 1-DeceneC10H20
   310 Butyl cyclohexaneC10H20
   311 Pentyl cyclopentane C10H20
   312 2,2,5,5-TetramethylhexaneC10H22
   313 3,3,4,4-TetramethylhexaneC10H22
   314 n-DecaneC10H22
   315 PentamethylbenzeneC11H16
   316 1,1,4-TrimethylcycloheptaneC11H22
   317 Hexyl cyclopentaneC11H22
   318 Pentyl cyclohexaneC11H22
   319 UndecaneC11H24
   320 AcenaphthyleneC12H8
   321 BiphenyleneC12H8


ΔHf: -45.2 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
Pentyl cyclopentane
 H=-45.15 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.54367935 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.53991060 +1  106.4053715 +1    0.0000000 +0     2     1     0
  C     1.54174117 +1  107.1878184 +1  -11.2903233 +1     3     2     1
  C     1.54294350 +1  104.8177212 +1   26.5307814 +1     1     2     3
  C     1.53260912 +1  112.8377522 +1  121.5693854 +1     1     2     5
  C     1.53430406 +1  111.2155592 +1   69.3883272 +1     6     1     2
  C     1.53409677 +1  110.5777534 +1 -179.8504346 +1     7     6     1
  C     1.53499025 +1  110.6746311 +1 -179.9999150 +1     8     7     6
  C     1.52899127 +1  110.8094067 +1 -179.9643964 +1     9     8     7
  H     1.11326667 +1  109.1964007 +1  121.7565435 +1     1     2     6
  H     1.10282412 +1  110.6876112 +1 -120.1378080 +1     2     1     3
  H     1.09986119 +1  111.3185670 +1 -117.9635285 +1     2     1    12
  H     1.10152328 +1  110.7807487 +1 -121.2341187 +1     3     2     4
  H     1.10170322 +1  110.9895266 +1 -117.7133143 +1     3     2    14
  H     1.10057908 +1  111.4529844 +1 -130.0511012 +1     4     3     2
  H     1.10255021 +1  110.5777701 +1 -118.0684738 +1     4     3    16
  H     1.09942716 +1  111.6870318 +1 -153.4168526 +1     5     1     2
  H     1.10277021 +1  110.8324393 +1 -118.7307767 +1     5     1    18
  H     1.10564876 +1  110.3113361 +1 -122.3922695 +1     6     1     7
  H     1.10652365 +1  109.6154137 +1 -116.0839282 +1     6     1    20
  H     1.10566171 +1  110.0742634 +1  121.7647066 +1     7     6     8
  H     1.10565940 +1  110.0680454 +1  116.4091238 +1     7     6    22
  H     1.10550068 +1  110.1364883 +1 -121.7561926 +1     8     7     9
  H     1.10554400 +1  110.1210623 +1 -116.4714723 +1     8     7    24
  H     1.10608363 +1  110.0583753 +1  121.8419497 +1     9     8    10
  H     1.10615814 +1  110.0297468 +1  116.3442497 +1     9     8    26
  H     1.09564733 +1  111.4112442 +1   59.9880115 +1    10     9     8
  H     1.09564391 +1  111.4037960 +1 -120.0797666 +1    10     9    28
  H     1.09537910 +1  111.2998995 +1 -119.9521350 +1    10     9    29