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

AWUYEX

-1 1
 C                  1.83092620   -4.03934830    1.22416237
 H                  1.83937420   -3.98919630    2.30754437
 C                  2.95529620   -4.46194930    0.50703137
 H                  3.85292420   -4.74956830    1.04425237
 C                  2.94364220   -4.51777530   -0.88699563
 H                  3.83252320   -4.84821030   -1.41409263
 C                  1.80730320   -4.15446630   -1.61801163
 H                  1.79817020   -4.19414430   -2.70186563
 C                  0.70005020   -3.74151230   -0.90146763
 C                  0.71233820   -3.68405630    0.49416637
 N                 -1.33258380   -2.99020030   -0.21535663
 C                 -0.62470380   -3.27004930   -1.38908863
 C                 -0.60421380   -3.17493930    0.96461837
 O                 -1.05534680   -3.13382130   -2.51104863
 O                 -1.01773780   -2.95183430    2.07915637
 O                 -2.61249580   -2.53479630   -0.22191763
 C                 -2.70692780   -1.14475130   -0.24947763
 O                 -1.72166780   -0.45860430   -0.26826063
 C                 -4.17931980    0.82272470   -0.29739963
 H                 -3.66890280    1.24961270    0.57040037
 H                 -3.68671980    1.19040570   -1.20190163
 H                 -5.20497280    1.19534670   -0.29961563
 C                 -4.15924180   -0.70869730   -0.24701063
 C                 -4.86625180   -1.32230630   -1.48581963
 C                 -4.83050380   -1.23854530    1.04958437
 C                 -6.37714580   -1.07564130   -1.46841563
 H                 -4.69162080   -2.40357330   -1.49884163
 H                 -4.41921980   -0.90948830   -2.39731963
 C                 -6.34137480   -0.99171230    1.05852337
 H                 -4.65487980   -2.31692730    1.12888037
 H                 -4.35783880   -0.76696730    1.91868437
 C                 -7.01152180   -1.59705230   -0.17698363
 H                 -6.82390180   -1.57192030   -2.33652463
 H                 -6.58850580   -0.00523130   -1.57814363
 H                 -6.76303480   -1.42855430    1.97005637
 H                 -6.54989180    0.08393470    1.10252137
 H                 -8.08520180   -1.38054030   -0.16898463
 H                 -6.90528780   -2.69007730   -0.14222963
 C                  1.70170813    2.35069011    1.31241421
 H                  1.70402741    2.34888477    2.24273236
 C                  2.01245285    3.48600766    0.61261699
 H                  2.22504986    4.26405638    1.07336686
 C                  2.01433159    3.49022556   -0.76372784
 H                  2.23121077    4.27154379   -1.21988242
 C                  1.70009878    2.35902469   -1.46929004
 H                  1.70369662    2.36148589   -2.39974029
 C                  1.37700721    1.21266698   -0.76554822
 C                  1.38432222    1.20021902    0.59946031
 N                  0.80021198   -0.90178749   -0.06104776
 C                  1.03850147   -0.14511667   -1.30144239
 C                  1.05866660   -0.15485343    1.11671160
 O                  0.97950155   -0.54643794   -2.49267321
 O                  0.99115083   -0.55667441    2.30732157

-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)
****