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

Single point

1 1
 C                 -0.17002500    0.00303000    1.17073500
 C                 -0.19059400   -1.23881100    0.45626200
 C                  0.35291700   -1.37091100   -0.85436500
 C                 -0.75098700   -2.41792600    1.02509900
 C                  0.33658900   -2.56306200   -1.53691500
 H                  0.85780600   -0.52237700   -1.30354500
 C                 -0.79431800   -3.61046100    0.34308500
 H                 -1.21928400   -2.36122800    2.00166900
 C                 -0.24428200   -3.73773900   -0.96859000
 H                  0.82822400   -2.60663100   -2.50006000
 H                 -1.30216400   -4.44580300    0.80681200
 C                 -0.12257500   -0.01499700    2.63723800
 C                 -0.88550700    0.89596600    3.39981100
 C                  0.68247400   -0.94681900    3.32704500
 C                 -0.84989200    0.86412300    4.78786200
 H                 -1.53501300    1.60180100    2.89210400
 C                  0.72805500   -0.95548300    4.71564000
 H                  1.29508500   -1.64206300    2.76219200
 C                 -0.03771500   -0.05459400    5.47237100
 H                 -1.46568600    1.55786200    5.35408100
 H                  1.36963700   -1.66994400    5.22447600
 C                 -0.19712000    1.26259400    0.48675600
 C                  0.39712800    2.43031700    1.04639800
 C                 -0.83554500    1.42617400   -0.77502800
 C                  0.38733600    3.63992500    0.39525300
 H                  0.92550500    2.35276700    1.99034800
 C                 -0.87287800    2.63726200   -1.42520800
 H                 -1.37496000    0.58916700   -1.20546300
 C                 -0.24502600    3.79571600   -0.87564400
 H                 -1.44225700    2.70783000   -2.34256800
 C                 -0.68957100   -6.18665600   -1.02070000
 C                 -0.14567100   -5.03638200   -3.09831500
 C                  0.19796400   -7.33893800   -1.50249100
 H                 -1.73751600   -6.38364200   -1.28637500
 H                 -0.60857300   -6.12864300    0.06414400
 C                  0.72929600   -6.22754100   -3.48465900
 H                 -1.15613400   -5.18481400   -3.50507900
 H                  0.25987600   -4.12537800   -3.53279600
 H                 -0.19856700   -8.28663600   -1.12857500
 H                  1.21802700   -7.20133100   -1.10931700
 H                  0.72164100   -6.35760400   -4.57004800
 H                  1.76533100   -6.05179600   -3.15362500
 N                 -0.25180400   -4.92676300   -1.63571900
 O                  0.22480700   -7.43069600   -2.91947000
 N                 -0.24104500    4.98904300   -1.53718600
 C                 -0.77003100    5.14187800   -2.89880300
 C                 -0.06687900    6.28410300   -0.86126600
 C                  0.07214900    6.15675000   -3.67794400
 H                 -1.81617800    5.47613900   -2.85530700
 H                 -0.72760000    4.19128000   -3.42973900
 C                  0.75406300    7.23748900   -1.72712600
 H                 -1.06137700    6.71948000   -0.68790800
 H                  0.41822900    6.16026700    0.10438500
 H                 -0.39226200    6.34745400   -4.64906900
 H                  1.08030800    5.74342100   -3.84202700
 O                  0.15569900    7.40472700   -3.00565900
 H                  0.78882500    8.22504200   -1.25963100
 H                  1.78247500    6.85591700   -1.83056000
 H                  0.91214500    4.46881500    0.85199300
 C                  0.02909000   -0.05347200    6.97807600
 H                  0.78337300    0.66353400    7.32836200
 H                 -0.92816300    0.24031000    7.42047200
 H                  0.30613400   -1.03732600    7.36916500


