# B1LYP/gen prop scf=tight CH33CCOCl  MP2/Pople  MP2/6-311+G(d,p) angles 0 1  Cl  C,1,B1  O,2,B2,1,A1  C,2,B3,1,A2,3,D1,0  C,4,B4,2,A3,1,D2,0  C,4,B5,2,A4,1,D3,0  C,4,B6,2,A5,1,D4,0  H,5,B7,4,A6,2,D5,0  H,5,B8,4,A7,2,D6,0  H,5,B9,4,A8,2,D7,0  H,6,B10,4,A9,2,D8,0  H,6,B11,4,A10,2,D9,0  H,6,B12,4,A11,2,D10,0  H,7,B13,4,A12,2,D11,0  H,7,B14,4,A13,2,D12,0  H,7,B15,4,A14,2,D13,0       Variables:  B1=1.8097  B2=1.1856  B3=1.5133  B4=1.5237  B5=1.5277  B6=1.5277  B7=1.091  B8=1.090  B9=1.090  B10=1.091  B11=1.0885  B12=1.091  B13=1.091  B14=1.091  B15=1.0885  A1=119.35457286  A2=113.58851976  A3=107.65909487  A4=109.49915899  A5=109.49915899  A6=109.0572725  A7=111.14679345  A8=111.14679345  A9=111.03258585  A10=111.67999831  A11=108.57388069  A12=111.03258585  A13=108.57388069  A14=111.67999831  D1=180.  D2=180.  D3=-60.46559954  D4=60.46559954  D5=180.  D6=-60.19403773  D7=60.19403773  D8=-56.34301957  D9=65.15760084  D10=-175.18409986  D11=56.34301957  D12=175.18409986  D13=-65.15760084 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 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    **** O  D   1  1.00        5.16000000          1.00000000     D   1  1.00        1.29200000          1.00000000     D   1  1.00       0.322500000          1.00000000     F   1  1.00        1.40000000          1.00000000    **** H  P   1  1.00       1.500000000          1.00000000  P   1  1.00       0.375000000          1.00000000 **** C  D   1  1.00        2.50400000          1.00000000     D   1  1.00       0.626000000          1.00000000     D   1  1.00       0.156500000          1.00000000     F   1  1.00       0.800000000          1.00000000    ****
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	# B1LYP/gen prop scf=tight CH33CCOCl  MP2/Pople  MP2/6-311+G(2d,p) angles 0 1  Cl  C,1,B1  O,2,B2,1,A1  C,2,B3,1,A2,3,D1,0  C,4,B4,2,A3,1,D2,0  C,4,B5,2,A4,1,D3,0  C,4,B6,2,A5,1,D4,0  H,5,B7,4,A6,2,D5,0  H,5,B8,4,A7,2,D6,0  H,5,B9,4,A8,2,D7,0  H,6,B10,4,A9,2,D8,0  H,6,B11,4,A10,2,D9,0  H,6,B12,4,A11,2,D10,0  H,7,B13,4,A12,2,D11,0  H,7,B14,4,A13,2,D12,0  H,7,B15,4,A14,2,D13,0       Variables:  B1=1.8097  B2=1.1856  B3=1.5133  B4=1.5237  B5=1.5277  B6=1.5277  B7=1.091  B8=1.090  B9=1.090  B10=1.091  B11=1.0885  B12=1.091  B13=1.091  B14=1.091  B15=1.0885  A1=118.98217888  A2=113.56282172  A3=107.48647824  A4=109.48134313  A5=109.48134313  A6=109.05482148  A7=111.20113712  A8=111.20113712  A9=111.16562885  A10=111.62600879  A11=108.55694221  A12=111.16562885  A13=108.55694221  A14=111.62600879  D1=180.  D2=180.  D3=-60.46198347  D4=60.46198347  D5=180.  D6=-60.21467686  D7=60.21467686  D8=-57.03328786  D9=64.51625452  D10=-175.88358153  D11=57.03328786  D12=175.88358153  D13=-64.51625452  See above for general bases.
		CH33CCOCl_zm.html
		Last modified: 4 May 2008