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

Desired product of elimination

0 1
 O                 11.63384732    4.72913376    6.78960341
 O                 10.06554732    4.13403376    9.80680341
 O                  8.90954732    4.41733376    7.92220341
 C                 13.98704732    2.69283376    7.61250341
 H                 13.96534732    1.70253376    7.47350341
 C                 13.07784732    2.93133376    8.82930341
 H                 12.88624732    3.89923376    8.90780341
 H                 13.55214732    2.64733376    9.65070341
 C                 11.74934732    2.15923376    8.71900341
 H                 11.94494732    1.26413376    8.34350341
 H                 11.39654732    2.02323376    9.63390341
 C                 10.63864732    2.80043376    7.86960341
 C                 11.07674732    3.41813376    6.52960341
 H                 10.27924732    3.51143376    5.93370341
 C                 12.16454732    2.63553376    5.79510341
 H                 12.13384732    1.67503376    6.03210341
 H                 12.06994732    2.72973376    4.81420341
 C                 13.45894732    3.28143376    6.28630341
 C                 14.67274732    3.16803376    5.36570341
 H                 14.83724732    2.22833376    5.10090341
 H                 14.56064732    3.72093376    4.55220341
 C                 15.79784732    3.70163376    6.24910341
 H                 15.76494732    4.68913376    6.30600341
 H                 16.68254732    3.42893376    5.89810341
 C                 15.52914732    3.05693376    7.63510341
 C                 16.06253778    3.67118026    8.74027451
 C                 15.33192602    3.49746155   10.07215249
 H                 14.99572554    4.36633685   10.37603577
 H                 15.95131147    3.13524268   10.73959467
 H                 14.58054612    2.87951674    9.95414826
 C                 17.57421349    3.88538518    8.76175496
 H                 18.02748742    3.03227850    8.59833080
 H                 17.84209137    4.23538106    9.63722341
 H                 17.82329364    4.52678826    8.06375354
 C                  9.87744732    3.84773376    8.65900341
 C                  8.13944732    5.44383376    8.58130341
 H                  7.48724732    5.81743376    7.95230341
 H                  8.73924732    6.15443376    8.89050341
 H                  7.66844732    5.05683376    9.34860341
 C                 13.01524732    4.74713376    6.42340341
 H                 13.55024732    5.20493376    7.11930341
 H                 13.13804732    5.22553376    5.56540341
 O                  9.70658375    1.76142380    7.55877258
 H                  9.34354551    1.40279169    8.37190618

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







