SnH3Cl
		Chlorine
	Nuclear Quadrupole Coupling Constants
		in Chlorostannane
	Table 1.  Chlorine nqcc's in SnH3Cl (MHz).     Calc. Expt. [1]     35Cl eQq - 42.97 - 41.6(3)   37Cl eQq - 33.87
	Table 2.  Chlorostannane.  Molecular structure parameters (Å and degrees).  Derivation of this structure is explained by means of the g09 input file shown below. rs(SnCl) [1] 2.327 ropt(SnH) 1.6748 ropt(ClSnH) 105.97
		%Chk=SnH3Cl_opt002 %mem=2GB # MP2/gen pseudo=read popt SnH3Cl rs(SnCl) def-2-TZV on Sn    0 1  H  Sn,1,B1  Cl,2,B2,1,A  H,2,B1,3,A,1,D,0  H,2,B1,3,A,1,-D,0       Variables:  B1=1.776  A=106.       Constants:  B2=2.327  D=120. H Sn Cl 0 **** H Cl aug-cc-pVTZ **** @/users/wcbailey/Bases/def2_TZVP/Sn.gbs/N --Link1-- %Chk=SnH3Cl_opt002 %mem=2GB # B1LYP/gen geom=check pseudo=read prop scf=tight SnH3Cl rs(SnCl)   def-2-TZV on Sn 0 1 H Cl 0 TZV **** Cl  D   1  1.00        3.00000000          1.00000000  D   1  1.00       0.750000000          1.00000000  D   1  1.00       0.187500000          1.00000000  F   1  1.00       0.700000000          1.00000000 **** H  P   1  1.00       1.500000000          1.00000000  P   1  1.00       0.375000000          1.00000000 **** @/users/wcbailey/Bases/def2_TZVP/Sn.gbs/N
		Output is
		H  Sn,1,B1  Cl,2,B2,1,A  H,2,B1,3,A,1,D,0  H,2,B1,3,A,1,-D,0       Variables:  B1=1.67484661  A=105.96888787       Constants:  B2=2.327  D=120.
	[1] L.C.Krisher, R.A.Gsell, and J.M.Bellama, J. Chem. Phys. 54, 2287 (1971)
	CH3I		SiH3I		GeH3Cl
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	Molecules/Iodine
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						Last Modified 22 Jan 2017