2-Chloropropene  ropt = MP2/aug-cc-pVTZ optimization.
   ~re is this structure but with CCl (B1), CC (B2), and
   C=C (B3) given by the values in Table 3 on the previous page,

 Cl
 C,1,B1
 C,2,B2,1,A1
 C,2,B3,1,A2,3,D1,0
 H,4,B4,2,A3,3,D2,0
 H,4,B5,2,A4,3,D3,0
 H,3,B6,2,A5,6,D4,0
 H,3,B7,2,A6,6,D5,0
 H,3,B8,2,A7,6,D6,0
      Variables:
 B1=1.74456118
 B2=1.49030736
 B3=1.33287004
 B4=1.07886019
 B5=1.08067454
 B6=1.0883695
 B7=1.08985743
 B8=1.08985743
 A1=113.8529704
 A2=119.70807553
 A3=121.68843488
 A4=119.09767348
 A5=110.07116349
 A6=110.323626
 A7=110.323626
 D1=180.
 D2=180.
 D3=0.
 D4=0.
 D5=120.60403962
 D6=-120.60403962
 
 
  2ClPropene_zm.html
  Last modified: 23 March 2009