(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. |
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CH33SnCl_zm.html | |||
Last modified: 4 Dec 2012 | |||