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

2-chloropropener   2344 2-Chloropropene (Geo)

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  2334 Chloromethane (Geo)CH3Cl
  2335 Methyl chlorideCH3Cl
  2336 CH3ClH(+)CH4Cl
  2337 Chloroacetylene (Geo)HC2Cl
  2338 ChloroacetyleneHC2Cl
  2339 ChloroethyleneC2H3Cl
  2340 Chloroethane (Geo)C2H5Cl
  2341 ChloroethaneC2H5Cl
  2342 DimethylchloroboraneH6BC2Cl
  2343 2-ChloropropeneC3H5Cl
  2344 2-Chloropropene (Geo) C3H5Cl
  2345 1-ChloropropaneC3H7Cl
  2346 1-Chloropropane (Geo)C3H7Cl
  2347 2-ChloropropaneC3H7Cl
  2348 2-Chloropropane (Geo)C3H7Cl
  2349 1-Chloro-2-methylpropaneC4H9Cl
  2350 2-Chloro-2-methylpropaneC4H9Cl
  2351 2-Chloro-2-methylpropane (Geo)C4H9Cl
  2352 1-ChloropentaneC5H11Cl
  2353 Be(II)(Cp)Cl (JEFKIO) (Geo)H5BeC5Cl
  2354 Be(II)(Cp)Cl (JEFKIO)H5BeC5Cl


REF: P. Winget, A.H.C. Horn, C. Seloki, B. Martin, T. Clark, J. Mol. Model. 9, 408 (2003).
  
 PM7
2-Chloropropene
 <C-Cl> <> <C=C-Cl> GR=WHSMC03
 Cl     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.74400000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.32608223 +1  119.0000000 +1    0.0000000 +0     2     1     0
  C     1.47428217 +1  112.4878722 +1 -179.9747757 +1     2     1     3
  H     1.08011013 +1  123.3701072 +1 -179.9964106 +1     3     2     1
  H     1.08113731 +1  124.4738370 +1 -179.9981689 +1     3     2     5
  H     1.10437872 +1  111.9609730 +1  -59.2473604 +1     4     2     1
  H     1.10419270 +1  111.9490539 +1  119.5500560 +1     4     2     7
  H     1.10112335 +1  112.3717803 +1  120.2932233 +1     4     2     8