Accuracy

1-chloropropane   2344 1-Chloropropane

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    #  Species Formula
  2334 Methyl chlorideCH3Cl
  2335 CH3ClH(+)CH4Cl
  2336 Chloroacetylene (Geo)HC2Cl
  2337 ChloroacetyleneHC2Cl
  2338 ChloroethyleneC2H3Cl
  2339 Chloroethane (Geo)C2H5Cl
  2340 ChloroethaneC2H5Cl
  2341 DimethylchloroboraneH6BC2Cl
  2342 2-ChloropropeneC3H5Cl
  2343 2-Chloropropene (Geo)C3H5Cl
  2344 1-Chloropropane C3H7Cl
  2345 1-Chloropropane (Geo)C3H7Cl
  2346 2-ChloropropaneC3H7Cl
  2347 2-Chloropropane (Geo)C3H7Cl
  2348 1-Chloro-2-methylpropaneC4H9Cl
  2349 2-Chloro-2-methylpropaneC4H9Cl
  2350 2-Chloro-2-methylpropane (Geo)C4H9Cl
  2351 1-ChloropentaneC5H11Cl
  2352 Be(II)(Cp)Cl (JEFKIO) (Geo)H5BeC5Cl
  2353 Be(II)(Cp)Cl (JEFKIO)H5BeC5Cl
  2354 Cyclo C5H5 beryllium chloride (Geo)H5BeC5Cl


ΔHf: -31.6 kcal/mol,     REF: P. Winget, A.H.C. Horn, C. Seloki, B. Martin, T. Clark, J. Mol. Model. 9, 408 (2003).
  
 PM7
1-Chloropropane
 H=-31.6 HR=WHSMC03
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.52863822 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.51845320 +1  109.8275379 +1    0.0000000 +0     2     1     0
 Cl     1.78496818 +1  108.7977541 +1  179.9264167 +1     3     2     1
  H     1.09615296 +1  111.7651584 +1  -60.2300282 +1     1     2     3
  H     1.09614386 +1  111.7556971 +1  120.7719997 +1     1     2     5
  H     1.09709478 +1  111.0155126 +1  119.6030684 +1     1     2     6
  H     1.10965377 +1  109.9565363 +1  122.2603291 +1     2     1     3
  H     1.10961909 +1  109.9754572 +1  115.5516224 +1     2     1     8
  H     1.10158512 +1  112.8718400 +1  117.6813530 +1     3     2     4
  H     1.10179704 +1  112.7943564 +1  124.6077390 +1     3     2    10