Cyclohexyl Iodide



Cyclohexyl Iodide equatorial. Optimized Molecular Structures C C,1,B1 C,2,B2,1,A1 C,3,B3,2,A2,1,D1,0 C,4,B4,3,A3,2,D2,0 C,5,B5,4,A4,3,D3,0 H,3,B6,2,A5,1,D4,0 H,2,B7,1,A6,6,D5,0 H,2,B8,1,A7,6,D6,0 H,1,B9,6,A8,5,D7,0 H,1,B10,6,A9,5,D8,0 H,4,B11,3,A10,2,D9,0 H,4,B12,3,A11,2,D10,0 H,5,B13,4,A12,3,D11,0 H,5,B14,4,A13,3,D12,0 H,6,B15,5,A14,4,D13,0 H,3,B16,2,A15,1,D14,0 I,6,B17,5,A16,4,D15,0

MP2/6-311+G(d,p) r_opt	MP2/6-311+G(2d,p) r_opt	MP2/6-311+G(3d,3p) r_opt

B1=1.53564192 B2=1.53057178 B3=1.53057178 B4=1.53564192 B5=1.52516575 B6=1.09598447 B7=1.09877664 B8=1.0961763 B9=1.0979269 B10=1.09487051 B11=1.09877664 B12=1.0961763 B13=1.09487051 B14=1.0979269 B15=1.0953104 B16=1.09864388 B17=2.18216456 A1=111.15665272 A2=110.70521443 A3=111.15665272 A4=109.8286511 A5=110.29536423 A6=109.29213506 A7=109.41391299 A8=109.07935536 A9=110.38151059 A10=109.32152299 A11=110.61842167 A12=110.60172216 A13=109.57943127 A14=110.08272731 A15=109.20231485 A16=110.40567195 D1=56.40557034 D2=-56.40557034 D3=56.29669327 D4=178.75870407 D5=64.45758128 D6=-178.75925198 D7=-62.9013005 D8=179.41670649 D9=64.33139612 D10=-178.16897229 D11=178.37386551 D12=-63.50882264 D13=65.63039238 D14=-63.85752147 D15=179.30244439	B1=1.5316105 B2=1.52719362 B3=1.52719362 B4=1.5316105 B5=1.52029468 B6=1.09395143 B7=1.09703112 B8=1.09409251 B9=1.09631066 B10=1.09296584 B11=1.09703112 B12=1.09409251 B13=1.09296584 B14=1.09631066 B15=1.09324189 B16=1.09690271 B17=2.15473058 A1=111.13640863 A2=110.62972984 A3=111.13640863 A4=109.91277432 A5=110.38925819 A6=109.2691677 A7=109.52680516 A8=109.09147888 A9=110.48212021 A10=109.29098463 A11=110.71262804 A12=110.56587558 A13=109.58929271 A14=109.79688985 A15=109.20764062 A16=110.67580179 D1=56.3225405 D2=-56.3225405 D3=56.42003941 D4=178.80738325 D5=64.26815302 D6=-179.06532031 D7=-62.83104161 D8=179.63572298 D9=64.35278943 D10=-178.28067815 D11=178.65636578 D12=-63.45845151 D13=64.79024763 D14=-63.90350852 D15=178.75047993	B1=1.53185003 B2=1.52742699 B3=1.52742699 B4=1.53185003 B5=1.52093894 B6=1.09097415 B7=1.09400476 B8=1.09120082 B9=1.09306281 B10=1.08986425 B11=1.09400476 B12=1.09120082 B13=1.08986425 B14=1.09306281 B15=1.08998861 B16=1.09403423 B17=2.16973846 A1=111.04492256 A2=110.72715329 A3=111.04492256 A4=109.79119702 A5=110.36318704 A6=109.22033934 A7=109.60375796 A8=108.80574807 A9=110.32423951 A10=109.24506286 A11=110.72362763 A12=110.86429818 A13=109.7022117 A14=110.45914603 A15=109.14628924 A16=110.17309248 D1=56.40115754 D2=-56.40115754 D3=56.50501023 D4=178.90144874 D5=64.03603907 D6=-179.1557385 D7=-62.4433772 D8=-179.8995195 D9=64.12526832 D10=-178.40202441 D11=178.65898438 D12=-63.01718397 D13=65.8343621 D14=-63.77041128 D15=179.48858848


		C6H11I_eq_zm.html
		Last modified: 6 Dec 2009