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

Endo alkene pdt

0 1
 O                 -1.24091743   -1.16324026   -1.09968457
 O                 -2.93875743    1.89534874   -0.69274457
 O                 -4.05917643   -0.18050126   -0.50751257
 C                  1.46281893   -0.07383106    0.50399140
 C                  0.35401057    1.06166374    0.17535943
 H                 -0.00963243    0.93943474   -0.85752157
 H                  0.86131857    2.03562974    0.22986943
 C                 -0.86235343    1.11201274    1.16265143
 H                 -0.49981043    0.95037974    2.19304543
 H                 -1.30297243    2.12386374    1.11833843
 C                 -2.04199143    0.09276674    0.89089143
 C                 -1.59410543   -1.32931226    0.33505543
 H                 -2.48984443   -1.98766026    0.41203943
 C                 -0.36785143   -1.95326726    1.08662343
 H                 -0.28947543   -1.58857926    2.12301143
 H                 -0.46097643   -3.05221626    1.10388043
 C                  0.83730757   -1.52259026    0.19156943
 C                  2.13043857   -2.39274226    0.24793943
 H                  2.42358757   -2.56205726    1.29802743
 H                  2.00019357   -3.37185226   -0.24130157
 C                  3.19149657   -1.49679826   -0.46815357
 H                  3.13978557   -1.65103526   -1.56204457
 H                  4.21648857   -1.74398526   -0.14562057
 C                  2.70628221   -0.04452646   -0.04555054
 C                  3.40249907    2.59853706    0.37591960
 H                  2.96049607    3.24170806   -0.40505440
 H                  4.34434107    3.07197406    0.69620860
 H                  2.72023107    2.58091706    1.23790860
 C                  5.09212007    1.04824806   -0.79399640
 H                  5.88014007    1.11621806   -0.02351840
 H                  5.25976707    1.87294606   -1.50691240
 H                  5.21351007    0.09798606   -1.33114240
 C                 -3.01536843    0.74683774   -0.20315257
 C                 -4.99920143    0.41178374   -1.48882557
 H                 -5.77804943   -0.35237726   -1.66697857
 H                 -4.49096143    0.65223874   -2.44458857
 H                 -5.46968943    1.33594974   -1.09596757
 C                  0.16704457   -1.59421426   -1.23003257
 H                  0.66072657   -0.94168926   -1.97913057
 H                  0.21604457   -2.64352126   -1.60472657
 O                 -2.78937643   -0.19908826    2.12791243
 H                 -2.93193400    0.83317200    2.46699400
 C                  3.69541007    1.18102106   -0.15488040
 H                  3.10791612    0.97866802   -1.02597403

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








