Accuracy

chloropentafluorobenzene   2430 Chloropentafluorobenzene

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    #  Species Formula
  2420 Chlorodifluoromethane (Geo)HCF2Cl
  2421 DifluorochloromethaneHCF2Cl
  2422 NClF2NF2Cl
  2423 Chlorine trifluorideF3Cl
  2424 Chlorine trifluoride (Geo)F3Cl
  2425 TrifluorochloromethaneCF3Cl
  2426 ChlorotrifluoroetheneC2F3Cl
  2427 Chlorine pentafluorideF5Cl
  2428 Chlorine pentafluoride (Geo)F5Cl
  2429 ChloropentafluoroethaneC2F5Cl
  2430 Chloropentafluorobenzene C6F5Cl
  2431 1,1,2-Trifluoro-2-chloroethyl dodecafluoroheptyletherC9H4OF15Cl
  2432 1,1,2-Trifluoro-2-chloroethyl perfluoroheptyletherC9H4OF15Cl
  2433 Neon chloride anion (Geo)NeCl
  2434 Sodium chloride, cationNaCl
  2435 Sodium chloride (Geo)NaCl
  2436 Sodium chlorideNaCl
  2437 Disodium chloride, cationNa2Cl
  2438 Magnesium chlorideMgCl
  2439 Magnesium chloride (Geo)MgCl
  2440 Magnesium hydride chlorideHMgCl


ΔHf: -193.5 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.
  
 PM7
Chloropentafluorobenzene
 H=-193.5 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.39418458 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39431134 +1  119.3281728 +1    0.0000000 +0     2     1     0
  C     1.39861136 +1  120.6364479 +1   -0.0362025 +1     3     2     1
  C     1.39834711 +1  119.7694872 +1   -0.0140233 +1     4     3     2
  C     1.39823769 +1  119.8671528 +1    0.0124525 +1     5     4     3
  F     1.31692833 +1  119.9347520 +1 -179.9745064 +1     1     2     3
 Cl     1.68205781 +1  120.3839533 +1  179.9772851 +1     2     1     3
  F     1.31701065 +1  119.9008282 +1 -179.9967532 +1     3     2     4
  F     1.31662552 +1  120.1403783 +1 -179.9999493 +1     4     3     5
  F     1.31574383 +1  120.0801283 +1  179.9983787 +1     5     4     6
  F     1.31670288 +1  120.0816196 +1 -179.9903327 +1     6     5     4