%mem=38GB
%nprocshared=12
#p opt(calcfc,ts,noeigentest) ub3lyp/def2svp freq nosymm EmpiricalDispersion=GD3 scrf=(SMD,solvent=Acetonitrile) cphf(conver=7)

Title Card Required

0 1
 C                 27.19069800   15.18220400    6.32845700
 C                 26.80870000   13.99187100    7.16730300
 H                 28.06885800   14.96943800    5.69641500
 C                 26.13198300   15.89622800    5.60351800
 C                 27.20261900   12.70361200    6.77827800
 C                 26.00481300   14.14981200    8.30552800
 H                 25.16909500   16.03729000    6.09162600
 H                 26.44924000   16.57840900    4.81488400
 N                 25.24805100   14.53444400    4.22750200
 C                 26.78154200   11.58427000    7.50508000
 H                 27.83689000   12.57695000    5.89582300
 C                 25.58678400   13.03340800    9.03486600
 H                 25.71250100   15.15742900    8.61014300
 C                 23.94054400   14.17259300    4.62282700
 H                 25.90900200   13.75661700    4.23702600
 H                 25.28947300   15.01003200    3.32534500
 C                 25.96950600   11.74705100    8.63327400
 H                 27.08988300   10.58321700    7.19162700
 H                 24.95824700   13.16524600    9.91987000
 C                 22.84219800   14.94732100    4.21389800
 C                 23.73839200   13.09407700    5.50078100
 H                 25.64020000   10.87387700    9.20291300
 C                 21.55829000   14.63606000    4.66920500
 H                 23.00079900   15.79186800    3.53758100
 C                 22.45090700   12.79199100    5.95057300
 H                 24.59315100   12.50069100    5.83240400
 C                 21.35400800   13.55876600    5.53964200
 H                 20.71069500   15.24305600    4.33953300
 H                 22.30775800   11.94892600    6.63186400
 H                 20.34853200   13.31892100    5.89425800
 O                 27.24312900   16.42193000    6.98994700


