%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                 -0.27261500   -0.56608400    0.06338600
 C                 -1.70513800   -0.12718800    0.39020700
 C                 -2.65645500    0.38453200   -0.48115300
 C                 -1.98216200   -0.30254000    1.75852900
 C                 -3.91402900    0.72295900    0.02179400
 H                 -2.42952100    0.51562800   -1.53437700
 C                 -3.23107300    0.02040300    2.27589000
 C                 -4.17624400    0.53100900    1.38186000
 H                 -4.68658200    1.12619700   -0.62011200
 H                 -3.47842800   -0.10434100    3.32260700
 C                  0.23924800   -0.96612200    1.45099100
 C                  1.50969200   -1.40760200    1.79323800
 C                 -0.77225600   -0.82068000    2.41844500
 C                  1.77561900   -1.71689100    3.12842500
 H                  2.28212700   -1.51140800    1.03799100
 C                 -0.52899100   -1.13294800    3.75084200
 C                  0.75556800   -1.57798000    4.07463600
 H                  2.75227000   -2.06263900    3.44172700
 H                 -1.28535600   -1.03648500    4.51955800
 C                 -0.27191600   -1.75481300   -0.90097700
 C                  0.35875600   -1.68201900   -2.14421100
 C                 -0.92387300   -2.94290800   -0.54065300
 C                  0.33719400   -2.78060800   -3.00850900
 H                  0.86870100   -0.77135700   -2.43413200
 C                 -0.94112300   -4.03127100   -1.40703300
 H                 -1.41800800   -3.01830600    0.42466400
 C                 -0.31156100   -3.96989900   -2.66068100
 H                  0.83764100   -2.70627600   -3.97122300
 H                 -1.44903800   -4.94475700   -1.10659100
 O                  0.49707400    0.46629900   -0.53860500
 C                  0.66173800    1.66864100    0.23355100
 H                 -0.31053100    1.98159200    0.63810700
 H                  1.33585100    1.48618900    1.07953100
 C                  1.21675400    2.72409600   -0.68414500
 C                  2.47166600    3.29615800   -0.46240000
 C                  0.47292700    3.14494100   -1.79582600
 C                  2.97015900    4.27541700   -1.32564500
 H                  3.06737800    2.97369100    0.38843700
 C                  0.97461400    4.11597500   -2.65808900
 H                 -0.50054100    2.69943300   -1.98552000
 C                  2.23140000    4.70231900   -2.43540000
 H                  3.94985400    4.70781700   -1.13613400
 H                  0.38535800    4.42800100   -3.51752500
 C                  2.75414700    5.77924300   -3.35702500
 H                  2.49740200    5.57076900   -4.40152500
 H                  2.31927700    6.75593700   -3.10671200
 H                  3.84215400    5.87677800   -3.28471600
 C                 -0.35720800   -5.14767200   -3.60516600
 H                 -1.33384100   -5.21564200   -4.10211000
 H                  0.40509000   -5.06565800   -4.38639100
 H                 -0.20149500   -6.09258100   -3.07254500
 N                 -5.50494500    0.88493400    1.89708200
 O                 -6.33428700    1.34120300    1.10706100
 O                 -5.72777500    0.70846800    3.09705300
 N                  1.04729500   -1.91046500    5.47492900
 O                  0.14096800   -1.78589100    6.30175700
 O                  2.18321800   -2.29740900    5.75787300


