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

AWUYEX

-1 1
 C                  3.00098218    1.14114284    6.94308399
 H                  2.61818218    0.40234284    7.35918399
 C                  2.65298218    1.48394284    5.66378399
 H                  2.02928218    0.97014284    5.20568399
 C                  3.21428218    2.57914284    5.04748399
 H                  2.96178218    2.79634284    4.17878399
 C                  4.14008218    3.35194284    5.69698399
 H                  4.51768218    4.09364284    5.28098399
 C                  4.50058218    3.00334284    6.98628399
 C                  3.93878218    1.92454284    7.60598399
 N                  5.59178218    2.71634284    8.99298399
 C                  5.45138218    3.70304284    7.90918399
 C                  4.44598218    1.79154284    8.99698399
 O                  5.99303700    4.83344074    7.79791310
 O                  4.01224055    1.07571390    9.93667952
 O                  5.83028218    3.32264284   10.23138399
 C                  6.92578218    3.03414284   10.95238399
 O                  7.18013031    3.59293935   12.09974408
 C                  9.10323256    1.80480672   11.35951641
 H                  9.67645299    2.70047485   11.47824696
 H                  8.79165010    1.45080785   12.31998564
 H                  9.70270133    1.05842283   10.88155379
 C                  7.86388218    2.09944284   10.49418399
 C                  7.06142179    0.82572281   10.32253444
 C                  8.32807917    2.64033407    9.15683550
 C                  7.84098865   -0.21762189    9.54841975
 H                  6.10746704    1.05686843    9.77948204
 H                  6.78536968    0.41742304   11.32937041
 C                  9.10834929    1.59722221    8.38307802
 H                  7.43752316    2.96213338    8.55541876
 H                  8.96962497    3.54497238    9.31959296
 C                  8.30717704    0.32273550    8.21205818
 H                  7.19859097   -1.12148723    9.38459635
 H                  8.73051729   -0.54094998   10.15056291
 H                  9.38400595    2.00530317    7.37608783
 H                 10.06260129    1.36725131    8.92620478
 H                  8.93420735   -0.44825661    7.69340608
 H                  7.41659765    0.52653632    7.56115150
 C                  6.99967064   -1.83872781    5.37667742
 H                  6.61197173   -2.57478237    5.79310717
 C                  8.18503248   -1.95872785    4.70159103
 H                  8.60784569   -2.78487525    4.66212952
 C                  8.75845413   -0.87245404    4.08066974
 H                  9.56281991   -0.97625346    3.62482640
 C                  8.15995736    0.35875282    4.12657172
 H                  8.54661541    1.09246470    3.70476717
 C                  6.96687527    0.48552785    4.81523703
 C                  6.38844245   -0.59099786    5.42348421
 N                  5.00679741    1.18214456    5.80151858
 C                  6.10876518    1.70340412    4.97576621
 C                  5.09268835   -0.21237762    6.04597105
 O                  6.27155613    2.86588233    4.52220904
 O                  4.27050718   -0.93123538    6.67113680

-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)
****