%chk=EDA-downPhtl_ZEisomer-NEW_eq.chk
%nprocshared=40
%mem=100GB
#p opt freq wb97xd/gen scrf=(smd,solvent=dimethylsulfoxide) int=ultrafine

AWUYEX

-1 1
 C                  1.24617900    2.44766600    1.23544400
 H                  1.22929300    2.45552600    2.31981900
 C                  1.97174400    3.39933400    0.51275000
 H                  2.52606900    4.16446600    1.04595700
 C                  1.99779100    3.38284700   -0.88324600
 H                  2.57230200    4.13530300   -1.41310400
 C                  1.29675500    2.41588500   -1.60991800
 H                  1.31603300    2.40154300   -2.69420000
 C                  0.58383800    1.47679600   -0.88696600
 C                  0.56164500    1.49057000    0.50858700
 N                 -0.83475000   -0.17835300   -0.19409700
 C                 -0.21657700    0.32093600   -1.36234100
 C                 -0.24979400    0.34141000    0.98121800
 O                 -0.35669400   -0.14339500   -2.46814200
 O                 -0.41941000   -0.10414300    2.09118700
 O                 -1.30679900   -1.46374100   -0.18992100
 C                 -2.67961100   -1.70222400   -0.23300200
 O                 -2.93287900   -2.87828500   -0.23452700
 C                 -3.49839900    0.32730600   -1.49917100
 H                 -2.71853200    1.07179800   -1.33113600
 H                 -3.24108900   -0.26092900   -2.38457500
 H                 -4.41649300    0.87291700   -1.72459700
 C                 -3.72035400   -0.57675800   -0.26884600
 C                 -5.09867500   -1.27984000   -0.37533700
 C                 -3.66802800    0.23086300    1.05519400
 C                 -6.28514300   -0.32821300   -0.20283700
 H                 -5.15818700   -2.04786600    0.40247000
 H                 -5.16540300   -1.79690700   -1.33844500
 C                 -4.85665200    1.18571700    1.20106400
 H                 -3.66651200   -0.47077400    1.89900900
 H                 -2.74463800    0.80914800    1.11099400
 C                 -6.19097100    0.44848600    1.10978000
 H                 -7.20808900   -0.91731400   -0.23287800
 H                 -6.34282700    0.37698400   -1.04085200
 H                 -4.76903800    1.70506000    2.16126900
 H                 -4.80776800    1.95636600    0.42130100
 H                 -7.02344700    1.15512400    1.19628200
 H                 -6.27431800   -0.25150100    1.95244100
 C                  4.14257063    0.74456331    1.54749214
 H                  4.18417430    0.77198442    2.47647962
 C                  4.83173890    1.65168505    0.78762269
 H                  5.34428342    2.30378340    1.20584943
 C                  4.77568264    1.61051615   -0.58697152
 H                  5.25385732    2.23445424   -1.08458784
 C                  4.02421035    0.66324873   -1.23051603
 H                  3.98831604    0.63416714   -2.15982895
 C                  3.31960393   -0.24922165   -0.46585642
 C                  3.38052851   -0.21953283    0.89754503
 N                  2.01202795   -1.95871464    0.35134006
 C                  2.46674701   -1.39099089   -0.92882859
 C                  2.58602275   -1.32977804    1.48570998
 O                  2.20801188   -1.77743554   -2.09813918
 O                  2.42202293   -1.63668581    2.69504130

-H 0
6-31g(d,p)
****
-C 0
6-31g(d,p)
****
-N 0
6-31+g(d,p)
****
-O 0
6-31+g(d,p)
****