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

li(i)4(et)4 (ethyli)    269 Li(I)4(Et)4 (ETHYLI)

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    #  Species Formula
   259 2-Methyl heptaneC8H18
   260 3,3-Dimethyl hexaneC8H18
   261 3,4-Dimethyl hexaneC8H18
   262 3-Ethyl hexaneC8H18
   263 3-Ethyl-2-methyl pentaneC8H18
   264 3-Ethyl-3-methyl pentaneC8H18
   265 3-Methyl heptaneC8H18
   266 4-Methyl heptaneC8H18
   267 n-OctaneC8H18
   268 Li(I)4(Et)4 (ETHYLI) (Geo)C8H20Li4
   269 Li(I)4(Et)4 (ETHYLI) C8H20Li4
   270 alpha-Methyl styreneC9H10
   271 Cyclopropyl benzeneC9H10
   272 1,3,5-Trimethyl cyclohexaneC9H18
   273 cis-cis-trans-1,3,5-Trimethyl cyclohexaneC9H18
   274 3,3-DiethylpentaneC9H20
   275 n-NonaneC9H20
   276 Tri-isopropylboraneH21BC9
   277 TripropylboraneH21BC9
   278 AzuleneC10H8
   279 Naphthalene (Geo)C10H8


ΔHf: -32.2 kcal/mol,     REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
  
 PM7
Li(I)4(Et)4 (ETHYLI)
 H=-32.2 HR=PW91D
 Li     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Li     2.34666827 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     2.30412273 +1   59.8030157 +1    0.0000000 +0     2     1     0
  C     2.30622817 +1   59.6753756 +1  159.5019815 +1     1     2     3
  H     2.20757661 +1   92.1639242 +1  -67.5933179 +1     3     2     1
  H     1.77573184 +1   66.1310366 +1  -62.7663998 +1     5     3     2
  H     1.74164579 +1   64.7732690 +1  -65.8284230 +1     5     3     6
  H     1.08848130 +1   90.6905905 +1 -137.3174623 +1     3     2     5
  H     1.08831772 +1  142.3561635 +1 -119.1400532 +1     3     2     8
  H     2.20944842 +1   91.7728030 +1  -67.6275923 +1     4     1     2
  H     1.77547575 +1   66.0799037 +1  -63.1396422 +1    10     4     1
  H     1.74156666 +1   64.7323934 +1  -65.8835459 +1    10     4    11
  H     1.08820139 +1   91.0267300 +1 -137.2386541 +1     4     1    10
  H     1.08837784 +1  142.3813749 +1 -119.3984446 +1     4     1    13
 Li     2.47244306 +1   72.1113057 +1  -64.1117675 +1    13     4     1
 Li     2.34628284 +1  124.1706390 +1   60.7035938 +1    15    13     4
  C     2.30671378 +1   97.3369309 +1   58.1621043 +1    15    13    16
  C     2.30423353 +1   59.8012073 +1 -123.0682848 +1    16    15    13
  C     1.50913286 +1   93.2108326 +1  140.1785911 +1    17    15    13
  H     1.08846428 +1   90.5169643 +1 -110.4641681 +1    17    15    19
  H     1.08845323 +1  142.4672438 +1 -118.8912316 +1    17    15    20
  C     1.50924625 +1   93.5647085 +1  -93.7126798 +1    18    16    15
  H     1.08847424 +1   90.2052843 +1 -110.4680039 +1    18    16    22
  H     1.08833419 +1  142.3355333 +1 -118.4875913 +1    18    16    23
  H     1.09686310 +1  115.0092117 +1   89.1829950 +1    19    17    15
  H     1.09747245 +1  114.5208555 +1 -125.9889356 +1    19    17    25
  H     1.10641276 +1  109.6840782 +1 -116.7772875 +1    19    17    26
  H     1.09702269 +1  114.8931241 +1   89.4954459 +1    22    18    16
  H     1.09742007 +1  114.5543287 +1 -125.8593676 +1    22    18    28
  H     1.10621846 +1  109.7723561 +1 -116.9000962 +1    22    18    29
  C     1.09740952 +1   35.9660594 +1  -31.7200548 +1     6     5     3
  C     1.09748806 +1   35.9824729 +1  -31.6832251 +1    11    10     4