%nprocshared=24
%mem=41GB
#p b3lyp opt freq=noraman 6-31G(d) scrf=(solvent=methylbutanoate,pcm) nosymm empiricaldispersion=gd3 scf=maxcyc=512

Opt freq

0 1
 C                  0.54207800   -0.04084900   -0.19741400
 C                 -0.23028300   -0.87805700   -1.21897100
 C                 -0.53000000   -0.55465000   -2.53631400
 C                 -0.63769500   -2.09957000   -0.65078100
 C                 -1.25289500   -1.47340500   -3.30075300
 H                 -0.21472600    0.39380700   -2.95999700
 C                 -1.34897600   -3.02840600   -1.40105800
 C                 -1.64207900   -2.68518400   -2.72327600
 H                 -1.51258100   -1.26421400   -4.33050900
 H                 -1.67261400   -3.97923900   -0.99673700
 C                  0.47600500   -0.93719400    1.04363300
 C                  0.97462600   -0.67470800    2.31188300
 C                 -0.19629900   -2.13824900    0.75261400
 C                  0.80510500   -1.63556600    3.31059000
 H                  1.48862000    0.25700500    2.52478200
 C                 -0.36649000   -3.10988100    1.73158300
 C                  0.14571500   -2.82895900    3.00116000
 H                  1.17587100   -1.47386600    4.31450900
 H                 -0.87659100   -4.04591100    1.54188500
 C                  1.99274400    0.22374600   -0.60087900
 C                  2.63660700    1.39736600   -0.19203900
 C                  2.72208100   -0.72936500   -1.32216900
 C                  3.97581400    1.61670500   -0.51748600
 H                  2.08896500    2.14199000    0.37417100
 C                  4.06060000   -0.50452500   -1.63757600
 H                  2.24677200   -1.65236600   -1.64091400
 C                  4.71134500    0.67442900   -1.24719700
 H                  4.45572700    2.53756600   -0.19470100
 H                  4.60816600   -1.25729100   -2.19959100
 O                 -0.05079000    1.24458800    0.03719200
 C                 -1.44399800    1.26459900    0.43705300
 H                 -2.06409600    0.96159600   -0.41457500
 H                 -1.60003700    0.55127600    1.25315300
 C                 -1.74964000    2.66784000    0.87937000
 C                 -1.76853000    2.99965600    2.23789100
 C                 -1.96071300    3.68113200   -0.06596400
 C                 -2.00437400    4.31354500    2.64504900
 H                 -1.59391800    2.22609700    2.98233400
 C                 -2.18833800    4.99329800    0.34484400
 H                 -1.91475100    3.44340500   -1.12526700
 C                 -2.22029400    5.33143000    1.70648100
 H                 -2.01733100    4.55228400    3.70588800
 H                 -2.34505600    5.76863300   -0.40164200
 C                 -2.50489700    6.74866400    2.14464100
 H                 -2.08426800    7.47625700    1.44219600
 H                 -3.58603100    6.93403400    2.19427000
 H                 -2.09267400    6.95230600    3.13829300
 C                  6.15082300    0.92964800   -1.62551900
 H                  6.21864700    1.39021100   -2.61993400
 H                  6.63669900    1.60893600   -0.91750900
 H                  6.72669800   -0.00125800   -1.65942800
 C                  0.95026000    3.78334700   -2.33553800
 H                  0.95093500    4.25587600   -3.32246800
 H                  0.59363100    4.51924400   -1.59922000
 H                  1.98337100    3.50694400   -2.07962400
 O                  0.09490400    2.64795100   -2.40367500
 H                  0.10139400    2.22741100   -1.52052000
 N                 -0.02180600   -3.83315200    4.05965900
 O                  0.42155500   -3.57742700    5.18125200
 O                 -0.59917400   -4.88486500    3.77502600
 N                 -2.39648000   -3.64385000   -3.54267300
 O                 -2.73159900   -4.71136300   -3.02477800
 O                 -2.65803700   -3.33571900   -4.70713200


