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

o-amino phenol    962 o-Amino phenol

(Previous)     (Back)     (Next)        

   

    #  Species Formula
   952 1-(Dimethylamino)-2-propanoneC5H11NO
   953 2,2-Dimethyl-propanamideC5H11NO
   954 N,N-Dimethyl propanamideC5H11NO
   955 2-Hydroxy-6-methylpyridineC6H7NO
   956 2-Methyl-3-pyridinolC6H7NO
   957 3-Hydroxy-2-methylpyridineC6H7NO
   958 3-Hydroxy-6-methylpyridineC6H7NO
   959 4-Hydroxy-2-methylpyridineC6H7NO
   960 6-Methyl-2(1H)-pyridinoneC6H7NO
   961 m-Amino phenolC6H7NO
   962 o-Amino phenol C6H7NO
   963 p-Amino phenolC6H7NO
   964 Trimethyl isoxazoleC6H9NO
   965 CaprolactamC6H11NO
   966 Cyclohexanone oximeC6H11NO
   967 N,N-Diethyl acetamideC6H13NO
   968 N,N-DimethylbutyramineC6H13NO
   969 BenzoxazoleC7H5NO
   970 IsocyanatobenzeneC7H5NO
   971 BenzamideC7H7NO
   972 N,N-Dimethylamino-2,4-pentadiene-5-alC7H11NO


ΔHf: -25.0 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
o-Amino phenol
 H=-24.95 HR=NIST
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.35060735 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39806398 +1  116.9106488 +1    0.0000000 +0     2     1     0
  C     1.39001569 +1  118.4877028 +1 -179.9147887 +1     3     2     1
  C     1.39672661 +1  120.8158283 +1    0.0089274 +1     4     3     2
  C     1.39283168 +1  120.4152281 +1   -0.0682491 +1     5     4     3
  C     1.39447214 +1  119.8361026 +1   -0.0022109 +1     6     5     4
  H     1.08708146 +1  119.8014732 +1 -179.9945729 +1     5     4     6
  H     1.00344963 +1  110.1805471 +1  179.3095069 +1     1     2     3
  H     1.08675536 +1  119.7602264 +1  179.9510027 +1     3     2     4
  H     1.09004009 +1  119.5465099 +1  179.9780531 +1     4     3     5
  H     1.08781749 +1  119.9911334 +1 -179.9878856 +1     6     5     7
  N     1.43937962 +1  124.7105218 +1  179.9058824 +1     7     6     5
  H     1.01166793 +1  111.9234434 +1  -59.1870108 +1    13     7     6
  H     1.01191718 +1  111.8551604 +1  122.4747066 +1    13     7    14