%nprocshared=20
%mem=30GB
# opt freq=noraman b3lyp scrf=(solvent=dichloromethane,pcm)

Desired product of elimination

0 1
 O                 -1.16929600   -1.07450000   -1.10760100
 O                 -2.86713600    1.98408900   -0.70066100
 O                 -3.98755500   -0.09176100   -0.51542900
 C                  1.44180200    0.01272600    0.53701600
 H                  1.57248800    0.04496500    1.63902500
 C                  0.42563200    1.15040400    0.16744300
 H                  0.06198900    1.02817500   -0.86543800
 H                  0.93294000    2.12437000    0.22195300
 C                 -0.79073200    1.20075300    1.15473500
 H                 -0.42818900    1.03912000    2.18512900
 H                 -1.23135100    2.21260400    1.11042200
 C                 -1.97037000    0.18150700    0.88297500
 C                 -1.52248400   -1.24057200    0.32713900
 H                 -2.41822300   -1.89892000    0.40412300
 C                 -0.29623000   -1.86452700    1.07870700
 H                 -0.21785400   -1.49983900    2.11509500
 H                 -0.38935500   -2.96347600    1.09596400
 C                  0.90892900   -1.43385000    0.18365300
 C                  2.20206000   -2.30400200    0.24002300
 H                  2.49520900   -2.47331700    1.29011100
 H                  2.07181500   -3.28311200   -0.24921800
 C                  3.26311800   -1.40805800   -0.47607000
 H                  3.21140700   -1.56229500   -1.56996100
 H                  4.28811000   -1.65524500   -0.15353700
 C                  2.54067415    1.14904102   -1.14214095
 C                  2.34209419    2.49067501   -0.84509078
 H                  1.27394347    2.71693470   -0.68133315
 H                  2.68182555    3.10790156   -1.69209018
 C                  2.43451659    0.83818667   -2.64845994
 H                  3.29063885    1.27033447   -3.19575761
 H                  1.51868688    1.29209889   -3.06282833
 H                  2.40494607   -0.24146643   -2.84779379
 C                 -2.94374700    0.83557800   -0.21106900
 C                 -4.92758000    0.50052400   -1.49674200
 H                 -5.70642800   -0.26363700   -1.67489500
 H                 -4.41934000    0.74097900   -2.45250500
 H                 -5.39806800    1.42469000   -1.10388400
 C                  0.23866600   -1.50547400   -1.23794900
 H                  0.73234800   -0.85294900   -1.98704700
 H                  0.28766600   -2.55478100   -1.61264300
 O                 -2.71775500   -0.11034800    2.11999600
 H                 -2.93193400    0.83317200    2.46699400
 C                  2.87054200    0.04639700   -0.09440800
 H                  3.63700865   -0.01985626    0.64925818

-P -Cl -H -C -N -O -F
6-31G(d,p)







