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

Single point

0 1
 C                 -0.13807600    0.29767800   -0.89944300
 C                 -1.43771100   -0.35774700   -0.41452300
 C                 -2.62162100   -0.13755900   -1.13905000
 C                 -1.55286300   -1.02763800    0.80527400
 C                 -3.85002200   -0.59249100   -0.68394800
 H                 -2.57782800    0.41657100   -2.07169100
 C                 -2.78126400   -1.50564600    1.26825900
 H                 -0.67154900   -1.19595700    1.41503200
 C                 -3.96090200   -1.30129800    0.53225600
 H                 -4.74147200   -0.37250400   -1.26292800
 H                 -2.80219200   -2.04784600    2.20642000
 C                  1.14865000   -0.28359900   -0.27962000
 C                  2.21041000    0.56471700    0.06482500
 C                  1.36150600   -1.66019200   -0.15683400
 C                  3.41749600    0.06232300    0.53587500
 H                  2.09172300    1.63596800   -0.05511900
 C                  2.56532400   -2.17585900    0.32507100
 H                  0.57199600   -2.35503800   -0.42676300
 C                  3.62415100   -1.32322700    0.68561100
 H                  4.22286400    0.75440600    0.76237600
 H                  2.66255500   -3.25049400    0.42744000
 C                  0.02328800    0.18825700   -2.42677300
 C                  0.49688700    1.26572100   -3.18164600
 C                 -0.22822100   -1.02285600   -3.08556500
 C                  0.70466200    1.13447200   -4.55653600
 H                  0.70260700    2.20971400   -2.69114600
 C                 -0.01740600   -1.14897600   -4.45668600
 H                 -0.60050600   -1.87389300   -2.52293300
 C                  0.45116100   -0.07072100   -5.22098400
 H                  1.07255500    1.98863900   -5.12130000
 H                 -0.22242600   -2.10072200   -4.94238700
 N                  4.87292400   -1.80183200    1.14059200
 C                  5.38009000   -1.23098500    2.39809100
 C                  5.11126900   -3.24353900    1.08755700
 C                  6.85509500   -1.57789900    2.57018100
 H                  4.81130300   -1.62730200    3.25793400
 H                  5.26559400   -0.14533700    2.39259700
 C                  6.59684900   -3.52704100    1.30543300
 H                  4.52263600   -3.78402500    1.85081500
 H                  4.82221800   -3.62332600    0.10259900
 H                  7.21745100   -1.22911800    3.54173400
 H                  7.44324300   -1.09123800    1.77486900
 O                  7.06027300   -2.98722500    2.53869900
 H                  6.77307800   -4.60583200    1.34860900
 H                  7.17557400   -3.10610000    0.46706700
 N                 -5.22675500   -1.72910700    0.98188800
 C                 -6.05454100   -2.48247400    0.02663600
 C                 -5.31766200   -2.30436500    2.32340400
 C                 -7.49235500   -2.56077900    0.52903500
 H                 -5.65844200   -3.50518100   -0.10038600
 H                 -6.04318600   -1.99518300   -0.94991200
 C                 -6.78257000   -2.39578600    2.74869500
 H                 -4.86054400   -3.30914400    2.36685700
 H                 -4.78911500   -1.65873100    3.03147600
 H                 -8.09230200   -3.19044800   -0.13449900
 H                 -7.93053900   -1.54949600    0.55277100
 O                 -7.55484000   -3.15254600    1.82298000
 H                 -6.86309000   -2.90288000    3.71457500
 H                 -7.19847800   -1.37959400    2.84595600
 O                 -0.21309900    1.71431600   -0.63138200
 C                 -0.53253500    2.09283500    0.71435000
 H                 -1.61211000    1.97908500    0.87955600
 H                 -0.01620400    1.44584600    1.43394500
 C                 -0.10185700    3.52494300    0.88924200
 C                  1.03125200    3.85415800    1.63919100
 C                 -0.81028800    4.55725700    0.26033700
 C                  1.44202000    5.18303600    1.76579100
 H                  1.60040600    3.06442600    2.12439000
 C                 -0.39646300    5.88160900    0.38332700
 H                 -1.68794200    4.31536000   -0.33442200
 C                  0.73550900    6.21840900    1.14215500
 H                  2.32540200    5.41770000    2.35545800
 H                 -0.95847600    6.66917800   -0.11410800
 C                  1.15877400    7.66034600    1.29881500
 H                  1.02566500    8.21979700    0.36612100
 H                  0.55909300    8.16645500    2.06697700
 H                  2.20905700    7.74048400    1.59759200
 C                  0.64759400   -0.20333700   -6.71312000
 H                 -0.30097100   -0.07340500   -7.25124300
 H                  1.34508800    0.54986900   -7.09431600
 H                  1.03570100   -1.19288900   -6.97959700


