gCH32CHCH2Cl rc Lille                MP2/6-311+G(d,p) angles  H  C,1,B1  C,2,B2,1,A1  C,2,B3,1,A2,3,D1,0  C,2,B4,1,A3,4,D2,0  Cl,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=1.0945  B2=1.5153  B3=1.5232  B4=1.5197  B5=1.7870  B6=1.089  B7=1.091  B8=1.090  B9=1.091  B10=1.092  B11=1.089  B12=1.091  B13=1.093  A1=107.6825023  A2=108.79224284  A3=108.9564418  A4=112.26096066  A5=110.76627059  A6=110.5047742  A7=110.45573244  A8=111.58578755  A9=110.5693511  A10=111.61261823  A11=110.45712744  A12=110.11233146  D1=117.61201453  D2=120.89444776  D3=-54.69854297  D4=64.48243751  D5=-174.34966495  D6=62.42805237  D7=-57.83901288  D8=-178.36332514  D9=60.28565325  D10=-60.26526287  D11=-179.45428965
	gCH32CHCH2Cl  rc Lille               MP2/6-311+G(2d,p) angles  H  C,1,B1  C,2,B2,1,A1  C,2,B3,1,A2,3,D1,0  C,2,B4,1,A3,4,D2,0  Cl,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=1.0945  B2=1.5153  B3=1.5232  B4=1.5197  B5=1.7870  B6=1.089  B7=1.091  B8=1.090  B9=1.091  B10=1.092  B11=1.089  B12=1.091  B13=1.093  A1=107.79658422  A2=108.84531743  A3=109.05228573  A4=112.70206957  A5=111.2281608  A6=110.90040054  A7=110.54772297  A8=111.66130297  A9=110.5635887  A10=111.60849115  A11=110.53642584  A12=110.25100046  D1=117.12463247  D2=121.08903653  D3=-56.15950836  D4=62.89352699  D5=-175.55306482  D6=61.9291394  D7=-58.39066359  D8=-178.85296507  D9=59.13934682  D10=-61.3940041  D11=179.40024689
	gCH32CHCH2Cl  MP2/aug-cc-pVTZ opt structure (~ re bond lengths are given in parentheses)    C  C,1,B1  H,2,B2,1,A1  H,1,B3,2,A2,3,D1,0  H,1,B4,2,A3,3,D2,0  H,1,B5,2,A4,3,D3,0  C,2,B6,1,A5,5,D4,0  C,2,B7,1,A6,7,D5,0  H,7,B8,2,A7,1,D6,0  H,7,B9,2,A8,1,D7,0  H,7,B10,2,A9,1,D8,0  H,8,B11,2,A10,1,D9,0  H,8,B12,2,A11,1,D10,0  Cl,8,B13,2,A12,1,D11,0       Variables:  B1=1.52678211       (1.5245)  B2=1.09322571  B3=1.09045648  B4=1.08980642  B5=1.0919482  B6=1.52236243       (1.5202)  B7=1.51761246       (1.5157)  B8=1.08853196  B9=1.09244421  B10=1.08998777  B11=1.08958788  B12=1.08779116  B13=1.79160147      (1.7883)  A1=109.03619719  A2=111.61980871  A3=110.5008535  A4=110.47267925  A5=110.85147567  A6=108.29754046  A7=111.41848749  A8=110.11699374  A9=110.54605123  A10=110.91218572  A11=111.34543388  A12=112.28533503  D1=-58.47258036  D2=61.92409885  D3=-178.88811083  D4=-58.28114559  D5=-122.82809357  D6=179.80661024  D7=-60.04171014  D8=59.16714416  D9=66.80977857  D10=-55.07564994  D11=-174.02774155
		gCH32CHCH2Cl_zm.html
		Last modified: 20 Feb 2014