%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                 -0.13438400    0.29640600   -0.89736300
 C                 -1.43458800   -0.35865500   -0.41411300
 C                 -2.61839300   -0.13643200   -1.13830500
 C                 -1.55087800   -1.03051500    0.80465900
 C                 -3.84766800   -0.59064100   -0.68441400
 H                 -2.57485700    0.41829500   -2.07069900
 C                 -2.77980300   -1.50785700    1.26683100
 H                 -0.67029800   -1.20112300    1.41476700
 C                 -3.95995700   -1.30078800    0.53141500
 H                 -4.73773700   -0.36919800   -1.26474100
 H                 -2.80071100   -2.05147900    2.20403100
 C                  1.15170000   -0.28573500   -0.27697200
 C                  2.21337400    0.56138900    0.07080000
 C                  1.36468700   -1.66285100   -0.15712300
 C                  3.42024900    0.05820600    0.54208600
 H                  2.09519500    1.63310000   -0.04504300
 C                  2.56826600   -2.17978800    0.32421000
 H                  0.57557700   -2.35751900   -0.42859000
 C                  3.62739000   -1.32811800    0.68819000
 H                  4.22368900    0.75088900    0.77302800
 H                  2.66461000   -3.25465200    0.42409300
 C                  0.02895300    0.18730400   -2.42473400
 C                  0.50711200    1.26333400   -3.17918600
 C                 -0.22432400   -1.02324400   -3.08448200
 C                  0.71700900    1.13200200   -4.55402100
 H                  0.71512600    2.20702700   -2.68893900
 C                 -0.01117400   -1.14984700   -4.45539000
 H                 -0.59959500   -1.87365600   -2.52295600
 C                  0.46140900   -0.07261500   -5.21917700
 H                  1.08795700    1.98536900   -5.11790400
 H                 -0.21788400   -2.10100600   -4.94133500
 N                  4.87545800   -1.80843900    1.14116900
 C                  5.39132900   -1.23136200    2.39292400
 C                  5.10873000   -3.25182600    1.09577800
 C                  6.86556100   -1.58272400    2.56038800
 H                  4.82477100   -1.62036100    3.25729000
 H                  5.28214400   -0.14541000    2.38198800
 C                  6.59397000   -3.53964200    1.30905300
 H                  4.52052400   -3.78499000    1.86409800
 H                  4.81537300   -3.63732900    0.11447000
 H                  7.23320000   -1.22823300    3.52776100
 H                  7.45221600   -1.10417000    1.75926700
 O                  7.06532800   -2.99378300    2.53740800
 H                  6.76555200   -4.61885900    1.35747300
 H                  7.17111100   -3.12605700    0.46606000
 N                 -5.22537300   -1.72614200    0.98226100
 C                 -6.06523600   -2.46129300    0.02277900
 C                 -5.31329000   -2.31656800    2.31800000
 C                 -7.50036700   -2.53521100    0.53278200
 H                 -5.67718800   -3.48494200   -0.11917800
 H                 -6.05778800   -1.96241000   -0.94771100
 C                 -6.77607000   -2.40354500    2.75076900
 H                 -4.86159800   -3.32405000    2.34661700
 H                 -4.77788300   -1.68309700    3.03160300
 H                 -8.10851400   -3.15138200   -0.13578700
 H                 -7.93090700   -1.52131100    0.57256600
 O                 -7.55978100   -3.14353500    1.82000600
 H                 -6.85333300   -2.92196000    3.71078400
 H                 -7.18503400   -1.38626100    2.86343600
 O                 -0.20907900    1.71368100   -0.62907300
 C                 -0.53240900    2.09210100    0.71666600
 H                 -1.61161600    1.97402700    0.88022300
 H                 -0.01408800    1.44775200    1.43695800
 C                 -0.10852400    3.52639600    0.89027300
 C                  1.03702300    3.85956000    1.61991400
 C                 -0.83523400    4.55714100    0.27947200
 C                  1.44246200    5.19045600    1.74353500
 H                  1.61942200    3.07187800    2.09237600
 C                 -0.42691700    5.88379700    0.39964500
 H                 -1.72405500    4.31320400   -0.29783800
 C                  0.71794600    6.22429000    1.13751200
 H                  2.33540900    5.42792000    2.31731400
 H                 -1.00351600    6.66988700   -0.08307100
 C                  1.13593200    7.66802400    1.29170000
 H                  0.98243200    8.23002900    0.36374300
 H                  0.54694000    8.16758100    2.07225300
 H                  2.19077500    7.75286300    1.57229600
 C                  0.65986800   -0.20578000   -6.71097400
 H                 -0.28831500   -0.07630000   -7.24973600
 H                  1.35741300    0.54758200   -7.09158300
 H                  1.04774300   -1.19563100   -6.97640500


