(CH3)3SnCl  PBE1PBE/TZV(3df,3p)/def-2-TZVP
optimized structure, but with ro(SnCl) of Schnell et al.
rather than the optimized value of 2.3626
 
 Cl
 Sn,1,B1
 C,2,B2,1,A1
 C,2,B3,1,A2,3,D1,0
 C,2,B4,1,A3,4,D2,0
 H,3,B5,2,A4,1,D3,0
 H,3,B6,2,A5,1,D4,0
 H,3,B7,2,A6,1,D5,0
 H,4,B8,2,A7,1,D6,0
 H,4,B9,2,A8,1,D7,0
 H,4,B10,2,A9,1,D8,0
 H,5,B11,2,A10,1,D9,0
 H,5,B12,2,A11,1,D10,0
 H,5,B13,2,A12,1,D11,0
      Variables:
 B1=2.3519
 B2=2.13572487
 B3=2.13572487
 B4=2.13572487
 B5=1.08902809
 B6=1.08902809
 B7=1.09035671
 B8=1.08902809
 B9=1.08902809
 B10=1.09035671
 B11=1.08902809
 B12=1.08902809
 B13=1.09035671
 A1=104.9454473
 A2=104.9454473
 A3=104.9454473
 A4=109.55829744
 A5=109.55829744
 A6=110.27978654
 A7=109.55829744
 A8=109.55829744
 A9=110.27978654
 A10=109.55829744
 A11=109.55829744
 A12=110.27978654
 D1=120.
 D2=120.
 D3=-59.80285164
 D4=59.80285164
 D5=180.
 D6=59.80285164
 D7=-59.80285164
 D8=180.
 D9=59.80285164
 D10=-59.80285164
 D11=180.
 
 
  CH33SnCl_zm.html
  Last modified: 4 Dec 2012