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

2,2-dimethyl pentane    220 2,2-Dimethyl pentane

(Previous)     (Back)     (Next)        

   

    #  Species Formula
   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 cyclopentaneC7H14
   218 Methyl-cyclohexaneC7H14
   219 2,2,3-Trimethyl butaneC7H16
   220 2,2-Dimethyl pentane C7H16
   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
   228 CubaneC8H8
   229 CyclooctatetraeneC8H8
   230 StyreneC8H8


ΔHf: -49.3 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
2,2-Dimethyl pentane
 HR=NIST H=-49.29
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.52982647 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.53320119 +1  110.7349360 +1    0.0000000 +0     2     1     0
  C     1.54536992 +1  114.0017307 +1  179.8983026 +1     3     2     1
  C     1.53642684 +1  110.8014656 +1  -61.0259830 +1     4     3     2
  C     1.53637914 +1  110.7887514 +1  121.8237141 +1     4     3     5
  C     1.54132026 +1  107.9936580 +1  119.0540072 +1     4     3     6
  H     1.09552431 +1  111.4609947 +1  -60.0205243 +1     1     2     3
  H     1.09552907 +1  111.4477955 +1  120.1458790 +1     1     2     8
  H     1.09557074 +1  111.1203436 +1  119.9172024 +1     1     2     9
  H     1.10623877 +1  109.7309007 +1  122.0236930 +1     2     1     3
  H     1.10621710 +1  109.7262399 +1  116.0301146 +1     2     1    11
  H     1.10673513 +1  109.2947944 +1  122.4033486 +1     3     2     4
  H     1.10680644 +1  109.2885155 +1  115.2136632 +1     3     2    13
  H     1.09487075 +1  111.2902174 +1  -54.6867349 +1     5     4     3
  H     1.09483097 +1  111.5134603 +1  120.1483563 +1     5     4    15
  H     1.09500335 +1  111.2379906 +1  119.8122772 +1     5     4    16
  H     1.09481589 +1  111.5179548 +1  -65.7681768 +1     6     4     3
  H     1.09478015 +1  111.3132921 +1  120.1654611 +1     6     4    18
  H     1.09508325 +1  111.2125507 +1  120.0657958 +1     6     4    19
  H     1.09451833 +1  111.3730515 +1  -60.1976314 +1     7     4     3
  H     1.09455376 +1  111.3796467 +1  120.3156923 +1     7     4    21
  H     1.09491727 +1  111.1911358 +1  119.8329954 +1     7     4    22