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

AWUYEX

-1 1
 C                  0.93929100    2.92103400    1.39037900
 H                  0.85573300    3.01010700    2.46814400
 C                  1.55134000    3.91799200    0.62459400
 H                  1.94715400    4.80079100    1.11555100
 C                  1.66920000    3.79369000   -0.76060200
 H                  2.15548900    4.58189600   -1.32583400
 C                  1.17509200    2.67060900   -1.43278100
 H                  1.27004400    2.57052700   -2.50859800
 C                  0.57103600    1.69132300   -0.66683900
 C                  0.45642700    1.81376900    0.71755000
 N                 -0.61955600   -0.10925900    0.10246900
 C                 -0.00068400    0.38381200   -1.07350000
 C                 -0.17081400    0.57858600    1.24795000
 O                 -0.03841700   -0.16367200   -2.14893000
 O                 -0.31070700    0.19360000    2.38578200
 O                 -0.83905600   -1.45964700    0.19695100
 C                 -2.12553600   -1.98356100    0.11596800
 O                 -2.12279700   -3.18661500    0.17580100
 C                 -4.56321000   -2.12494700   -0.05968800
 H                 -4.47035600   -2.79937600   -0.91463300
 H                 -4.60313200   -2.72787200    0.85090400
 H                 -5.51270000   -1.59656600   -0.15289300
 C                 -3.39267000   -1.12781000   -0.01290900
 C                 -3.54575400   -0.20002100    1.22214800
 C                 -3.37285700   -0.28787500   -1.31779600
 C                 -4.75050600    0.73826300    1.09766800
 H                 -2.65765800    0.42282200    1.33664800
 H                 -3.62704100   -0.81418200    2.12576000
 C                 -4.58079000    0.64908400   -1.42269300
 H                 -2.47791100    0.33393300   -1.35039000
 H                 -3.33091100   -0.96235500   -2.18000100
 C                 -4.68580700    1.55550500   -0.19432200
 H                 -4.76192400    1.40490200    1.96655600
 H                 -5.68683700    0.16929300    1.12940800
 H                 -4.47259300    1.25316400   -2.32984000
 H                 -5.50717700    0.07505600   -1.53960400
 H                 -5.56466500    2.20401700   -0.27611100
 H                 -3.80556000    2.21295300   -0.15851600
 C                  3.40772052    1.97862598    1.75845910
 H                  3.36085203    2.02523763    2.68643065
 C                  3.96950136    2.99500130    1.03278159
 H                  4.30482986    3.74095744    1.47318139
 C                  4.04434220    2.92654070   -0.33982849
 H                  4.43258660    3.62675871   -0.81367741
 C                  3.55364721    1.84111158   -1.01602208
 H                  3.60644607    1.79400153   -1.94378799
 C                  2.97741935    0.81649015   -0.28671483
 C                  2.91057862    0.87452756    1.07549688
 N                  1.96445059   -1.10824330    0.46775637
 C                  2.41000394   -0.47744418   -0.78583293
 C                  2.30104637   -0.36394104    1.62730102
 O                  2.33667002   -0.92196878   -1.96081829
 O                  2.09436130   -0.68231768    2.82708774

-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)
****