%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                 -0.00720900    0.14424700   -0.28485600
 C                  1.10215000    1.05783000    0.25876800
 C                  1.27881900    1.51758900    1.55878400
 C                  2.36162200    2.35144400    1.83986800
 C                  3.23983100    2.69703900    0.80905300
 C                  3.08759100    2.24080300   -0.50054700
 C                  2.00151000    1.41210900   -0.76221000
 H                  3.79530900    2.53126200   -1.26698100
 H                  2.53405300    2.73005900    2.83902800
 H                  0.59991400    1.22709500    2.35429200
 C                 -0.02921600   -1.18085500    0.49134100
 C                  0.72187300   -2.27783000    0.05008800
 C                  0.75997400   -3.46099200    0.78582100
 C                  0.05666800   -3.59455300    1.98954000
 C                 -0.68821100   -2.49456700    2.43077700
 C                 -0.72643200   -1.30604300    1.70212300
 H                 -1.32330400   -0.48804000    2.09101200
 H                 -1.25008900   -2.56394100    3.35898900
 H                  1.34564300   -4.29738500    0.41219100
 H                  1.27969100   -2.21618800   -0.87804900
 C                 -1.38106100    0.91619100   -0.13607800
 H                 -1.43021400    1.34837600    0.86686600
 C                 -1.47189200    2.03307700   -1.08115600
 N                 -1.54151700    2.91854300   -1.82737000
 C                 -2.62052500    0.01255000   -0.30300700
 O                 -2.80007500   -0.76476300   -1.21213900
 O                 -3.46841300    0.21923800    0.70787500
 C                 -4.67171000   -0.58715600    0.69017400
 H                 -5.23488700   -0.39981900   -0.22644600
 H                 -5.23838600   -0.27611700    1.56624400
 H                 -4.40635100   -1.64506100    0.75166700
 C                  0.41412300    0.00642600   -1.75444500
 C                  1.57590100    0.76457800   -2.00509700
 C                  2.14861500    0.80843100   -3.27150000
 C                  1.52809100    0.06737300   -4.27623500
 C                  0.38241300   -0.69876800   -4.05101400
 C                 -0.18056100   -0.73121400   -2.77418900
 H                 -1.07194100   -1.31341500   -2.58423000
 H                 -0.05512600   -1.25836600   -4.86773600
 H                  3.03867000    1.38654500   -3.48570100
 C                  0.12052200   -4.86932800    2.79580900
 H                  0.27784400   -5.74191200    2.15348700
 H                  0.95173000   -4.83719300    3.51243600
 H                 -0.79849400   -5.02684400    3.36980800
 N                  4.37687200    3.57628300    1.11838400
 O                  5.14910400    3.86531500    0.20281000
 O                  4.49982800    3.97937000    2.27627700
 N                  2.10972100    0.08987500   -5.62681200
 O                  1.55303000   -0.56564500   -6.50900400
 O                  3.12600900    0.76328500   -5.80658100


