syn CH2=CH(SeD)  MP2/aug-cc-pVTZ opt

 C
 C,1,B1
 Se,2,B2,1,A1
 H,1,B3,2,A2,3,D1,0
 H,1,B4,2,A3,3,D2,0
 H,2,B5,1,A4,4,D3,0
 H,3,B6,2,A5,1,D4,0
      Variables:
 B1=1.33517768
 B2=1.88524479
 B3=1.08079499
 B4=1.08140194
 B5=1.08284801
 B6=1.45310617
 A1=126.9765997
 A2=119.97729214
 A3=122.09817966
 A4=120.6740241
 A5=94.61331608
 D1=180.
 D2=0.
 D3=0.
 D4=0.
 
 --------------------------------------------------------------
 
gauche CH2=CH(SeD)  MP2/aug-cc-pVTZ opt

 C
 C,1,B1
 Se,2,B2,1,A1
 H,1,B3,2,A2,3,D1,0
 H,1,B4,2,A3,3,D2,0
 H,2,B5,1,A4,4,D3,0
 H,3,B6,2,A5,1,D4,0
      Variables:
 B1=1.33474364
 B2=1.89198626
 B3=1.08096324
 B4=1.08146819
 B5=1.08154793
 B6=1.45188981
 A1=122.23201595
 A2=120.23743705
 A3=121.74598116
 A4=121.36850145
 A5=94.77760652
 D1=174.99135916
 D2=-4.58635009
 D3=-0.62520045
 D4=151.37093979
 
  CH2CHSeD_zm.html
  Last modified: 14 Aug 2009