Accuracy

5-chloro-8-bromo-8-hydroxyquinoline   4183 5-Chloro-8-bromo-8-hydroxyquinoline

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    #  Species Formula
  4173 SiC3Br (BRMSAD)C9H21Si4Br
  4174 Phosphorus bromidePBr
  4175 Sulfur pentafluoride bromide (Geo)F5SBr
  4176 Thiophosphoryl monobromide difluoride (Geo)F2PSBr
  4177 Bromine chloride, cationClBr
  4178 Bromine chloride (Geo)ClBr
  4179 Bromine chlorideClBr
  4180 BromochloromethaneCH2ClBr
  4181 Bromochloromethane (Geo)CH2ClBr
  4182 1-Bromo-1-chloroethaneC2H4ClBr
  4183 5-Chloro-8-bromo-8-hydroxyquinoline C9H5NOClBr
  4184 TrichlorobromomethaneCCl3Br
  4185 Argon bromide anion (Geo)ArBr
  4186 Potassium bromide (Geo)KBr
  4187 Potassium bromideKBr
  4188 K(+)(H2O)5.Br (Geo)H10O5KBr
  4189 K(+)(H2O)5.BrH10O5KBr
  4190 Calcium monobromide (Geo)CaBr
  4191 Calcium monobromideCaBr
  4192 Calcium hydroxide bromideHOCaBr
  4193 Ca(++)(H2O)5.BrH10O5CaBr


ΔHf: -3.5 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.
  
 SHIFT=10 PM7
5-Chloro-8-bromo-8-hydroxyquinoline
 H=-3.47 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.37938289 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.40828956 +1  120.6722759 +1    0.0000000 +0     2     1     0
  C     1.37176460 +1  119.1249245 +1   -0.0045897 +1     3     2     1
  C     1.41500370 +1  122.9334644 +1    0.0062610 +1     4     3     2
  C     1.43667521 +1  120.1185159 +1   -0.0058910 +1     1     2     3
  N     1.37245094 +1  117.5489503 +1 -179.9910467 +1     6     1     2
  C     1.32006866 +1  118.4552831 +1  179.9907156 +1     7     6     1
  C     1.42797784 +1  122.6868947 +1    0.0001857 +1     8     7     6
  C     1.42381560 +1  125.2637817 +1  179.9974497 +1     5     4     3
 Cl     1.70480785 +1  118.4278343 +1 -179.9968071 +1     4     3     2
  O     1.34260395 +1  118.6648077 +1  179.9937062 +1     1     2     3
 Br     1.88137637 +1  119.7574753 +1  179.9962504 +1     2     1     6
  H     1.09561060 +1  119.8176955 +1 -179.9979612 +1     3     2     1
  H     1.09796374 +1  116.7658839 +1 -179.9944810 +1     8     7     6
  H     1.08783563 +1  119.1057876 +1  179.9976934 +1     9     8     7
  H     1.09226170 +1  119.6243441 +1    0.0127617 +1    10     5     4
  H     1.00765448 +1  110.7410102 +1  179.9956358 +1    12     1     2