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

chloropentafluorobenzene   2431 Chloropentafluorobenzene

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    #  Species Formula
  2421 Chlorodifluoromethane (Geo)HCF2Cl
  2422 DifluorochloromethaneHCF2Cl
  2423 NClF2NF2Cl
  2424 Chlorine trifluorideF3Cl
  2425 Chlorine trifluoride (Geo)F3Cl
  2426 TrifluorochloromethaneCF3Cl
  2427 ChlorotrifluoroetheneC2F3Cl
  2428 Chlorine pentafluorideF5Cl
  2429 Chlorine pentafluoride (Geo)F5Cl
  2430 ChloropentafluoroethaneC2F5Cl
  2431 Chloropentafluorobenzene C6F5Cl
  2432 1,1,2-Trifluoro-2-chloroethyl dodecafluoroheptyletherC9H4OF15Cl
  2433 1,1,2-Trifluoro-2-chloroethyl perfluoroheptyletherC9H4OF15Cl
  2434 Neon chloride anion (Geo)NeCl
  2435 Sodium chloride, cationNaCl
  2436 Sodium chloride (Geo)NaCl
  2437 Sodium chlorideNaCl
  2438 Disodium chloride, cationNa2Cl
  2439 Magnesium chlorideMgCl
  2440 Magnesium chloride (Geo)MgCl
  2441 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