PM7 Accuracy

m-amino phenol    962 m-Amino phenol

(Previous)     (Back)     (Next)         Geometry predicted using PM7

   

    #  Species Formula
   952 N,N-Dimethylamino-2-propen-3-alC5H9NO
   953 1-(Dimethylamino)-2-propanoneC5H11NO
   954 2,2-Dimethyl-propanamideC5H11NO
   955 N,N-Dimethyl propanamideC5H11NO
   956 2-Hydroxy-6-methylpyridineC6H7NO
   957 2-Methyl-3-pyridinolC6H7NO
   958 3-Hydroxy-2-methylpyridineC6H7NO
   959 3-Hydroxy-6-methylpyridineC6H7NO
   960 4-Hydroxy-2-methylpyridineC6H7NO
   961 6-Methyl-2(1H)-pyridinoneC6H7NO
   962 m-Amino phenol C6H7NO
   963 o-Amino phenolC6H7NO
   964 p-Amino phenolC6H7NO
   965 Trimethyl isoxazoleC6H9NO
   966 CaprolactamC6H11NO
   967 Cyclohexanone oximeC6H11NO
   968 N,N-Diethyl acetamideC6H13NO
   969 N,N-DimethylbutyramineC6H13NO
   970 BenzoxazoleC7H5NO
   971 IsocyanatobenzeneC7H5NO
   972 BenzamideC7H7NO


DHf: -23.6 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
m-Amino phenol
 H=-23.6 HR=NIST
  O     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.35813505  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.39830109  1  121.7992458  1    0.0000000  0     2     1     0
  C     1.39433287  1  117.7772945  1  179.9911585  1     3     2     1
  C     1.38730223  1  121.3549514  1    0.0100080  1     4     3     2
  C     1.41462616  1  119.6034731  1    0.0100162  1     5     4     3
  C     1.40631385  1  120.4147175  1   -0.0079674  1     6     5     4
  H     1.08244662  1  120.3612495  1 -179.9985267  1     5     4     6
  H     0.98729626  1  112.1767384  1   -0.0264802  1     1     2     3
  H     1.08016329  1  121.3498275  1 -179.9932192  1     3     2     4
  H     1.09168691  1  119.1896019  1 -179.9980997  1     4     3     5
  N     1.37940282  1  119.8500219  1 -179.9967448  1     6     5     7
  H     1.08231818  1  122.1439815  1  179.9882019  1     7     6     5
  H     0.99276593  1  121.1205494  1   -0.0029305  1    12     6     5
  H     0.99347791  1  121.0388880  1 -179.9831118  1    12     6    14