Accuracy

adenine    701 Adenine

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    #  Species Formula
   691 1,1,1-Tricyano-2-phenyl ethaneC11H7N3
   692 2,2',6',2'-TerpyridineC15H11N3
   693 Li(I)N3C (DANKUY) (Geo)H28LiC15N3
   694 Li(I)N3C (DANKUY)H28LiC15N3
   695 1-H TetrazoleCH2N4
   696 2-H-TetrazoleCH2N4
   697 TetracyanoethyleneC6N4
   698 1,3,5,7-TetraazaadamantaneC6H12N4
   699 Li(I)N4(+) (PIKWAH) (Geo)H32LiC12N4
   700 Li(I)N4(+) (PIKWAH)H32LiC12N4
   701 Adenine C5H5N5
   702 MelamineC3H6N6
   703 Be(II)3N6 (DMABET10) (Geo)C12H36Be3N6
   704 Oxygen, atomO
   705 Hydroxyl radicalHO
   706 Hydroxide, anionHO
   707 Water (Geo)H2O
   708 WaterH2O
   709 Hydronium, cationH3O
   710 Lithium oxide (LiO) (Geo)LiO
   711 Lithium oxide (LiO)LiO


ΔHf: 0.0 kcal/mol
  
 PM7
Adenine
 H=0 HR=REF
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.42072424 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.43717034 +1  116.2935452 +1    0.0000000 +0     2     1     0
  N     1.35705379 +1  124.6226908 +1    0.1409805 +1     3     2     1
  C     1.34915064 +1  113.8827403 +1    0.0176128 +1     4     3     2
  N     1.36718063 +1  118.8269724 +1   -0.2143173 +1     1     2     3
  N     1.39204000 +1  134.3256977 +1 -179.9200382 +1     2     1     3
  C     1.33082828 +1  106.3488924 +1  179.9104220 +1     7     2     1
  N     1.38602782 +1  105.9647388 +1 -179.9221658 +1     3     2     1
  N     1.35765397 +1  123.1505537 +1  179.4550783 +1     1     2     3
  H     1.07920211 +1  126.0964740 +1 -179.9939542 +1     8     7     2
  H     0.99725867 +1  125.6798406 +1  179.9988542 +1     9     3     2
  H     1.00196496 +1  120.5563862 +1  179.3396291 +1    10     1     2
  H     1.00201399 +1  120.2060328 +1    1.4365699 +1    10     1     2
  H     1.10491245 +1  116.9706510 +1  179.9530259 +1     5     4     3