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

AWUYEX

-1 1
 C                  2.82887107    1.14373254    6.70826583
 H                  2.44607107    0.40493254    7.12436583
 C                  2.48087107    1.48653254    5.42896583
 H                  1.85717107    0.97273254    4.97086583
 C                  3.04217107    2.58173254    4.81266583
 H                  2.78967107    2.79893254    3.94396583
 C                  3.96797107    3.35453254    5.46216583
 H                  4.34557107    4.09623254    5.04616583
 C                  4.32847107    3.00593254    6.75146583
 C                  3.76667107    1.92713254    7.37116583
 N                  5.41967107    2.71893254    8.75816583
 C                  5.27927107    3.70563254    7.67436583
 C                  4.27387107    1.79413254    8.76216583
 O                  5.82092589    4.83603044    7.56309494
 O                  3.84012944    1.07830360    9.70186136
 O                  5.65817107    3.32523254    9.99656583
 C                  6.75367107    3.03673254   10.71756583
 O                  7.00801920    3.59552905   11.86492592
 C                  7.44059740    1.39487186    8.91458497
 H                  6.53155566    0.83332463    8.97122267
 H                  7.36067061    2.12543276    8.13690093
 H                  8.25504926    0.73451945    8.70127099
 C                  7.69177107    2.10203254   10.25936583
 C                  8.98443930    2.88800503   10.17555033
 C                  7.75722359    1.05231180   11.35039538
 C                 10.17612389    1.97179135    9.98584918
 H                  9.11918817    3.48464160   11.11588613
 H                  8.92851763    3.61259613    9.32204424
 C                  8.94846928    0.13559535   11.16021362
 H                  7.83070854    1.55707904   12.34947340
 H                  6.81353972    0.44742301   11.34696128
 C                 10.24140602    0.92076779   11.07500835
 H                 11.11968244    2.57690116    9.99083081
 H                 10.10378243    1.46842526    8.98596522
 H                  9.00469519   -0.58868334   12.01391435
 H                  8.81261145   -0.46140515   10.22021190
 H                 11.09298989    0.22095287   10.87090093
 H                 10.44188010    1.41730901   12.06070754
 C                  4.74063708   -0.55033250    5.40887286
 H                  4.33228781   -1.27064418    5.83302197
 C                  5.69223158    0.19489640    6.05255457
 H                  5.92999885   -0.02038151    6.92431709
 C                  6.30129645    1.25817413    5.42579554
 H                  6.94749058    1.74974358    5.88006901
 C                  5.96704769    1.60151307    4.14260738
 H                  6.38059638    2.31892727    3.71828321
 C                  4.99970747    0.85631358    3.49244793
 C                  4.40048527   -0.20591397    4.10568699
 N                  3.49273564   -0.07022846    2.01919062
 C                  4.49370618    1.00724021    2.09011808
 C                  3.44233396   -0.87439087    3.18649901
 O                  4.83308148    1.82717075    1.19786873
 O                  2.72561911   -1.88942256    3.38549915

-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)
****