%chk=EDA-upPhtl_EEisomer-NEW_eq.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                  4.08341188    0.20630015    1.03070397
 H                  4.15803829    0.21159274    1.95801373
 C                  5.16296586   -0.08994022    0.24201570
 H                  5.97999713   -0.28487149    0.63863826
 C                  5.05420023   -0.10305170   -1.12996993
 H                  5.79928686   -0.30973948   -1.64736517
 C                  3.86329876    0.18520282   -1.74221069
 H                  3.78942394    0.17400482   -2.66966623
 C                  2.77284044    0.49362371   -0.94876637
 C                  2.87264364    0.49730367    0.41266028
 N                  0.71311189    1.03848595   -0.07665699
 C                  1.36964341    0.80351021   -1.37344696
 C                  1.55885192    0.80304343    1.03739732
 O                  0.87085496    0.84557316   -2.52800808
 O                  1.25496702    0.87318103    2.25653851

-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)
****