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

c4h4nhr    484 Pyrrole (Geo)

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    #  Species Formula
   474 CyclopropylamineC3H7N
   475 IsopropylamineC3H9N
   476 Trimethylamine (Geo)C3H9N
   477 n-PropylamineC3H9N
   478 TrimethylamineC3H9N
   479 Trimethyamine-Borane adductH12BC3N
   480 Trimethylborane-Ammonia adductH12BC3N
   481 (E)-2-ButenenitrileC4H5N
   482 (Z)-2-ButenenitrileC4H5N
   483 3-ButenenitrileC4H5N
   484 Pyrrole (Geo) C4H5N
   485 PyrroleC4H5N
   486 ButanenitrileC4H7N
   487 Isobutane nitrileC4H7N
   488 PyrrolidineC4H9N
   489 2-ButylamineC4H11N
   490 2-Methyl-1-propylamineC4H11N
   491 N-ButylamineC4H11N
   492 t-ButylamineC4H11N
   493 Pyridine (Geo)C5H5N
   494 PyridineC5H5N


REF: W. Haugen, M. Traetteberg, Acta Chem. Scand., 20, 1226 (1966).
  
 PM7
Pyrrole
 GR=HT1966 <C-N> <><C-N-C> <C3-C2> <C-C-C> <C4-C3>
  N     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.37000000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39333979 +1  107.7000000 +1    0.0000000 +0     1     2     0
  C     1.38200000 +1  109.8000000 +1    0.0000000 +0     2     1     3
  C     1.41700000 +1  108.5800096 +1    0.0000000 +0     3     1     2
  H     1.07591898 +1  121.8461740 +1  180.0000000 +0     2     1     3
  H     1.06776348 +1  122.3386420 +1  180.0000000 +0     3     1     2
  H     1.07015153 +1  125.5626832 +1  180.0000000 +0     4     5     1
  H     1.06415335 +1  127.3035030 +1  180.0000000 +0     5     4     1
  H     0.99191472 +1  126.6810667 +1  179.9999708 +1     1     2     3