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

AWUYEX

-1 1
 C                  2.76155361    1.26773064    6.71368609
 H                  2.37875361    0.52893064    7.12978609
 C                  2.41355361    1.61053064    5.43438609
 H                  1.78985361    1.09673064    4.97628609
 C                  2.97485361    2.70573064    4.81808609
 H                  2.72235361    2.92293064    3.94938609
 C                  3.90065361    3.47853064    5.46758609
 H                  4.27825361    4.22023064    5.05158609
 C                  4.26115361    3.12993064    6.75688609
 C                  3.69935361    2.05113064    7.37658609
 N                  5.35235361    2.84293064    8.76358609
 C                  5.21195361    3.82963064    7.67978609
 C                  4.20655361    1.91813064    8.76758609
 O                  5.75360843    4.96002854    7.56851520
 O                  3.77281198    1.20230170    9.70728162
 O                  5.59085361    3.44923064   10.00198609
 C                  6.68635361    3.16073064   10.72298609
 O                  6.94070174    3.71952715   11.87034618
 C                  7.37327994    1.51886996    8.92000523
 H                  6.46423820    0.95732273    8.97664293
 H                  7.29335315    2.24943086    8.14232119
 H                  8.18773180    0.85851755    8.70669125
 C                  7.62445361    2.22603064   10.26478609
 C                  8.91712184    3.01200313   10.18097059
 C                  7.68990613    1.17630990   11.35581564
 C                 10.10880643    2.09578945    9.99126944
 H                  9.05187071    3.60863970   11.12130639
 H                  8.86120017    3.73659423    9.32746450
 C                  8.88115182    0.25959345   11.16563388
 H                  7.76339108    1.68107714   12.35489366
 H                  6.74622226    0.57142111   11.35238154
 C                 10.17408856    1.04476589   11.08042861
 H                 11.05236498    2.70089926    9.99625107
 H                 10.03646497    1.59242336    8.99138548
 H                  8.93737773   -0.46468524   12.01933461
 H                  8.74529399   -0.33740705   10.22563216
 H                 11.02567243    0.34495097   10.87632119
 H                 10.37456264    1.54130711   12.06612780
 C                  7.08921612   -1.98520070    5.00369949
 H                  6.68882309   -2.69597048    5.45090442
 C                  8.25805080   -2.16089166    4.31219205
 H                  8.65674959   -2.99964118    4.29253844
 C                  8.85008822   -1.11217514    3.64583496
 H                  9.64265405   -1.25367125    3.17958393
 C                  8.28727238    0.13648946    3.66167019
 H                  8.68646001    0.84477422    3.20918969
 C                  7.11116298    0.31961030    4.36665966
 C                  6.51415570   -0.71963493    5.02011846
 N                  5.18996442    1.10363294    5.36377345
 C                  6.29062866    1.56610095    4.50204667
 C                  5.24126289   -0.28411369    5.65248463
 O                  6.47750005    2.70812516    4.00764768
 O                  4.41097840   -0.95850410    6.31535400

-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)
****