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

alme3r   1803 Trimethyl aluminum (Geo)

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    #  Species Formula
  1793 Methyl magnesium fluoride (Geo)CH3FMg
  1794 Magnesium difluorideF2Mg
  1795 Magnesium difluoride (Geo)F2Mg
  1796 Magnesium, dimer (Geo)Mg2
  1797 Magnesium difluoride, dimerF4Mg2
  1798 Magnesium difluoride, dimer (Geo)F4Mg2
  1799 Aluminum, cationAl
  1800 Aluminium, atomAl
  1801 AlH (Geo)HAl
  1802 Aluminum hydrideHAl
  1803 Trimethyl aluminum (Geo) C3H9Al
  1804 TrimethylaluminumC3H9Al
  1805 Al(III)C4(-) (CUVMAH) (Geo)C4H12Al
  1806 Al(III)C4(-) (CUVMAH)C4H12Al
  1807 TriethylaluminumC6H15Al
  1808 Aluminum nitrideNAl
  1809 Al(III)C3N (LINZOX) (Geo)C3H12NAl
  1810 Al(III)C3N (LINZOX)C3H12NAl
  1811 Al(III)C3N (ANTMAL) (Geo)C5H12NAl
  1812 Al(III)C3N (ANTMAL)C5H12NAl
  1813 Aluminum oxide, cationOAl


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
Trimethyl aluminum
 <Al-C> GR=PW91D
 Al     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.97956200 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     2.01076866 +1  120.6631587 +1    0.0000000 +0     1     2     0
  C     2.01218070 +1  120.1393451 +1  179.4868368 +1     1     2     3
  H     1.14604684 +1   77.4504985 +1  109.4019201 +1     2     1     3
  H     1.14125237 +1   78.4690492 +1  110.7625402 +1     2     1     5
  H     1.05892488 +1  150.9503713 +1  125.6454056 +1     2     1     6
  H     1.13664050 +1   78.3162621 +1   75.3174759 +1     3     1     2
  H     1.05729095 +1  150.5977778 +1  125.6826436 +1     3     1     8
  H     1.14028500 +1   77.3700170 +1  123.0556851 +1     3     1     9
  H     1.13351503 +1   79.1335433 +1  121.3572439 +1     4     1     2
  H     1.14107755 +1   77.2339769 +1  110.7479086 +1     4     1    11
  H     1.05721173 +1  149.9353750 +1  122.8973208 +1     4     1    12