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

5-chloro-8-bromo-8-hydroxyquinoline   4185 5-Chloro-8-bromo-8-hydroxyquinoline

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    #  Species Formula
  4175 SiC3Br (BRMSAD)C9H21Si4Br
  4176 Phosphorus bromidePBr
  4177 Sulfur pentafluoride bromide (Geo)F5SBr
  4178 Thiophosphoryl monobromide difluoride (Geo)F2PSBr
  4179 Bromine chloride, cationClBr
  4180 Bromine chloride (Geo)ClBr
  4181 Bromine chlorideClBr
  4182 BromochloromethaneCH2ClBr
  4183 Bromochloromethane (Geo)CH2ClBr
  4184 1-Bromo-1-chloroethaneC2H4ClBr
  4185 5-Chloro-8-bromo-8-hydroxyquinoline C9H5NOClBr
  4186 TrichlorobromomethaneCCl3Br
  4187 Argon bromide anion (Geo)ArBr
  4188 Potassium bromide (Geo)KBr
  4189 Potassium bromideKBr
  4190 K(+)(H2O)5.Br (Geo)H10O5KBr
  4191 K(+)(H2O)5.BrH10O5KBr
  4192 Calcium monobromide (Geo)CaBr
  4193 Calcium monobromideCaBr
  4194 Calcium hydroxide bromideHOCaBr
  4195 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