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

Single point

1 1
 C                 -0.01531200   -0.02383700    1.01738700
 C                  0.00155900   -1.18076300    0.12261200
 C                  0.00027600   -0.71592600   -1.22123100
 C                 -0.10157600   -2.54787900    0.39865900
 C                 -0.03945000   -1.59570300   -2.28209400
 C                 -0.12555500   -3.45244500   -0.66832000
 H                 -0.18813300   -2.92235500    1.41076900
 C                 -0.08622000   -2.96424300   -1.96960100
 H                 -0.04814200   -1.27243200   -3.31532000
 H                 -0.18969400   -4.51869900   -0.49543600
 C                 -0.01937100   -0.05179500    2.43422500
 C                 -0.70067000    0.95085500    3.18881000
 C                  0.66411600   -1.08152300    3.14831100
 C                 -0.70871200    0.90590100    4.56626400
 H                 -1.29284400    1.69841900    2.67509000
 C                  0.68336100   -1.08435700    4.52755900
 H                  1.24837000   -1.81379400    2.60451800
 C                 -0.00542600   -0.09930900    5.26692400
 H                 -1.27001200    1.64900400    5.12393300
 H                  1.24375900   -1.84993100    5.05476400
 C                 -0.02070700    1.16773300    0.16906700
 C                  0.07466900    2.52328400    0.49997900
 C                  0.00515200    0.75610300   -1.19185700
 C                  0.11612500    3.46882100   -0.53031800
 H                  0.14199500    2.85888200    1.52720500
 C                  0.06419900    1.67671900   -2.21650900
 C                  0.10237300    3.03196900   -1.85023400
 H                  0.09355400    1.39381600   -3.26111000
 H                  0.17405400    4.52763500   -0.31507700
 C                  0.02836400   -0.09657000    6.76437100
 H                  0.77709300    0.62918100    7.11230700
 H                 -0.93433700    0.21274800    7.18337600
 H                  0.30106700   -1.07473300    7.16842500
 N                  0.15694100    4.04496200   -2.92816800
 O                  0.16310500    3.63673600   -4.08738900
 O                  0.19017500    5.22759400   -2.59784800
 N                 -0.12175500   -3.93430100   -3.08708900
 O                 -0.18011900   -5.12813800   -2.80397700
 O                 -0.08795100   -3.48196000   -4.22931600


