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

AWUYEX

-1 1
 C                  2.38493300   -2.56402100    1.26108600
 H                  2.44592000   -2.62373300    2.34231500
 C                  3.49762500   -2.83121900    0.45547900
 H                  4.43879600   -3.10390400    0.92118700
 C                  3.41887500   -2.75189700   -0.93498000
 H                  4.29978300   -2.96482300   -1.53137800
 C                  2.22441400   -2.40121100   -1.57415800
 H                  2.16218400   -2.33626500   -2.65497900
 C                  1.13000600   -2.14118600   -0.77113900
 C                  1.20833200   -2.22196000    0.62162900
 N                 -0.92575600   -1.66090700    0.07275800
 C                 -0.25295500   -1.74395800   -1.15103500
 C                 -0.12131600   -1.88027800    1.19627000
 O                 -0.74811500   -1.53089200   -2.23373500
 O                 -0.49216100   -1.79675500    2.34447200
 O                 -2.23630700   -1.31317000    0.16682400
 C                 -2.44145000    0.06265000    0.25595000
 O                 -1.51787000    0.82923800    0.24278900
 C                 -4.42894000   -0.28815100    1.67378000
 H                 -4.35771000   -1.37796500    1.62970800
 H                 -3.84922100    0.06462600    2.53300000
 H                 -5.47468400   -0.02647400    1.84736200
 C                 -3.92350400    0.36138400    0.36948800
 C                 -4.10214800    1.89297500    0.39975000
 C                 -4.63975700   -0.22924200   -0.87410700
 C                 -5.57004000    2.31767000    0.30680900
 H                 -3.55815100    2.32434100   -0.44870000
 H                 -3.64563700    2.29595200    1.31005000
 C                 -6.10561900    0.20416400   -0.95771400
 H                 -4.11590100    0.11627000   -1.77522800
 H                 -4.56982700   -1.32098000   -0.85731100
 C                 -6.24423900    1.72679800   -0.93243100
 H                 -5.61989200    3.41149500    0.28178200
 H                 -6.11448900    2.00227400    1.20543300
 H                 -6.54140500   -0.20391200   -1.87590700
 H                 -6.67029300   -0.23005000   -0.12328900
 H                 -7.30155600    2.01160200   -0.96208400
 H                 -5.77403500    2.14572000   -1.83275500
 C                  1.51952751    3.96762657    0.83377848
 H                  1.65390812    4.07049894    1.74857880
 C                  1.72696782    5.01204110   -0.02726225
 H                  2.00227764    5.83362697    0.30747484
 C                  1.53341559    4.86130321   -1.38157464
 H                  1.68278277    5.58287914   -1.94954418
 C                  1.12299125    3.66286760   -1.90261176
 H                  0.99444861    3.56054066   -2.81845162
 C                  0.90389700    2.60811889   -1.03469499
 C                  1.10494617    2.74926227    0.30810601
 N                  0.43446036    0.59554095   -0.02025395
 C                  0.49369450    1.20403697   -1.35970734
 C                  0.85698387    1.46620099    1.01668932
 O                  0.26644853    0.67215809   -2.47730955
 O                  0.95947468    1.20201920    2.24277014

-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)
****