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

Single point

0 1
 C                 -0.29861200   -0.32343000   -1.10120400
 C                 -1.70987600   -0.37594000   -0.54842600
 C                 -2.73274300    0.30991900   -1.21770700
 C                 -2.04021700   -0.99745800    0.66270000
 C                 -4.02830400    0.36778100   -0.71756000
 H                 -2.50398600    0.83391900   -2.14290500
 C                 -3.33026800   -0.95374000    1.18096500
 H                 -1.27594200   -1.53985500    1.21198800
 C                 -4.36601500   -0.26108600    0.50683200
 H                 -4.77905900    0.90449700   -1.28467000
 H                 -3.52826000   -1.46342400    2.11606700
 C                  0.59240600   -1.51924800   -0.78941100
 C                  1.95758800   -1.36423900   -0.52309400
 C                  0.09840900   -2.82878000   -0.84947400
 C                  2.79174300   -2.45702700   -0.30159800
 H                  2.38047100   -0.36542000   -0.48160200
 C                  0.91776200   -3.93422000   -0.64173400
 H                 -0.95557400   -2.99447700   -1.05525300
 C                  2.29760800   -3.78101800   -0.36491800
 H                  3.83584900   -2.26950300   -0.08151000
 H                  0.47262400   -4.92062800   -0.69147300
 N                  3.12838000   -4.87837800   -0.17757600
 C                  4.46259400   -4.66525800    0.36580800
 C                  2.52849500   -6.19345400   -0.00014900
 H                  4.44547100   -4.18663100    1.35795600
 H                  5.06245900   -4.03774100   -0.30311500
 H                  1.85730700   -6.24074500    0.87224100
 H                  1.95338200   -6.48389100   -0.88666800
 N                 -5.64729700   -0.19298000    1.02484300
 C                 -6.72206300    0.34766800    0.20460800
 C                 -5.99958100   -1.01981500    2.17030800
 H                 -6.86880100   -0.22128900   -0.72645100
 H                 -6.52544800    1.39249000   -0.06347600
 H                 -5.87714600   -2.09502600    1.96745800
 H                 -5.38540300   -0.76691200    3.04266600
 O                  0.36477600    0.92383900   -0.74401500
 C                  0.38408100    1.24861000    0.66169200
 H                 -0.61880100    1.56648000    0.97276300
 H                  0.65171600    0.36020700    1.24452400
 C                  1.39501600    2.34571900    0.85792900
 C                  2.63510700    2.08675000    1.44937100
 C                  1.12176000    3.64766800    0.41381200
 C                  3.57927300    3.10509200    1.60160300
 H                  2.86658200    1.08069200    1.79193200
 C                  2.06870800    4.65902300    0.56033000
 H                  0.17221200    3.85780000   -0.07186100
 C                  3.31195000    4.40750900    1.16241500
 H                  4.53733600    2.88280100    2.06593700
 H                  1.84153200    5.66167000    0.20462700
 C                  4.31775300    5.51925600    1.34897200
 H                  4.33947600    6.18819000    0.48143000
 H                  4.06708000    6.13415900    2.22347700
 H                  5.32771400    5.12587300    1.50311500
 C                  0.13319600    3.38270700   -3.05522600
 H                 -0.27590700    4.18183900   -3.68188600
 H                  0.99999700    3.78352000   -2.50811300
 H                  0.48760200    2.57661500   -3.71621400
 O                 -0.89860400    2.94852500   -2.17881800
 H                 -0.50885100    2.23241300   -1.63274500
 H                 -0.37043400   -0.22392300   -2.19182000
 H                  4.96999500   -5.62708300    0.45621100
 H                  3.31996300   -6.93268200    0.13383800
 H                 -7.65312800    0.32249700    0.77254000
 H                 -7.04159200   -0.83738000    2.43680400


