%nprocshared=24
%mem=41GB
#p b3lyp 6-311+G(d,p) empiricaldispersion=gd3 scrf=(pcm,solvent=methylbutanoate) nosymm scf=maxcyc=512

Single point

0 1
 C                  0.54416800   -0.03426600   -0.20069000
 C                 -0.22730700   -0.87399800   -1.22117400
 C                 -0.52477400   -0.55484200   -2.54015200
 C                 -0.63605400   -2.09373500   -0.64977800
 C                 -1.24687400   -1.47655900   -3.30234400
 H                 -0.20969600    0.39301600   -2.96579900
 C                 -1.34608000   -3.02511400   -1.39833400
 C                 -1.63703400   -2.68640100   -2.72199700
 H                 -1.50580400   -1.27149300   -4.33320700
 H                 -1.67068900   -3.97512600   -0.99252700
 C                  0.47556500   -0.92705500    1.04277300
 C                  0.97175100   -0.66105500    2.31116900
 C                 -0.19732800   -2.12833100    0.75464300
 C                  0.79918600   -1.61834800    3.31298800
 H                  1.48706900    0.27081100    2.52062400
 C                 -0.37051200   -3.09640100    1.73697400
 C                  0.13905500   -2.81186500    3.00657000
 H                  1.16812400   -1.45522900    4.31744100
 H                 -0.88125100   -4.03291900    1.55073600
 C                  1.99543100    0.22810800   -0.60309800
 C                  2.63727300    1.40655200   -0.20593200
 C                  2.72704600   -0.73208900   -1.31229700
 C                  3.97697000    1.62316500   -0.53103100
 H                  2.08735400    2.15690100    0.35054200
 C                  4.06566400   -0.50968600   -1.62753200
 H                  2.25272700   -1.65873600   -1.62198000
 C                  4.71460100    0.67387700   -1.24886300
 H                  4.45563200    2.54798900   -0.21760000
 H                  4.61492900   -1.26794500   -2.18050500
 O                 -0.04751100    1.25191000    0.03208500
 C                 -1.44413300    1.27403400    0.41753000
 H                 -2.05651700    0.98624400   -0.44501300
 H                 -1.61279700    0.54943400    1.22139200
 C                 -1.74938700    2.67170100    0.87732800
 C                 -1.79595700    2.98044200    2.24038000
 C                 -1.93579100    3.70155800   -0.05513000
 C                 -2.03434200    4.28818300    2.66488400
 H                 -1.64168600    2.19339900    2.97535400
 C                 -2.16599800    5.00731100    0.37347100
 H                 -1.86977000    3.48081800   -1.11711100
 C                 -2.22536000    5.32260100    1.73949300
 H                 -2.06939900    4.50897800    3.72914400
 H                 -2.30381300    5.79587100   -0.36289500
 C                 -2.51324100    6.73355200    2.19539000
 H                 -2.07342200    7.47104600    1.51532700
 H                 -3.59430700    6.92364600    2.22421300
 H                 -2.12212900    6.91881200    3.20116300
 C                  6.15438900    0.92631500   -1.62780200
 H                  6.22361900    1.37363300   -2.62814700
 H                  6.63824000    1.61540800   -0.92787100
 H                  6.73211200   -0.00389800   -1.64785800
 C                  0.95728500    3.75402600   -2.39616900
 H                  0.93446600    4.21408900   -3.38864400
 H                  0.64295800    4.50721300   -1.65766600
 H                  1.99204300    3.45671400   -2.17220300
 O                  0.07469700    2.63872100   -2.42060100
 H                  0.10382700    2.22700100   -1.53407300
 N                 -0.03244900   -3.81291800    4.06943100
 O                  0.40583800   -3.55023000    5.19085100
 O                 -0.60753700   -4.86518500    3.78459300
 N                 -2.39069000   -3.64892200   -3.54013400
 O                 -2.72476600   -4.71407300   -3.01769200
 O                 -2.64991700   -3.34292800   -4.70506700


