%nprocshared=8
%mem=22GB
#p b3lyp 6-311+G(d,p) empiricaldispersion=gd3 scrf=(pcm,solvent=methylbutanoate) nosymm scf=maxcyc=512

Single point

1 1
 C                 -0.17002300    0.00305000    1.17091700
 C                 -0.19055200   -1.23878500    0.45638500
 C                  0.35303000   -1.37088000   -0.85420300
 C                 -0.75097200   -2.41791100    1.02515600
 C                  0.33673400   -2.56302600   -1.53676800
 H                  0.85796900   -0.52232200   -1.30329800
 C                 -0.79423800   -3.61043900    0.34312400
 H                 -1.21932100   -2.36120000    2.00170400
 C                 -0.24414200   -3.73774500   -0.96852100
 H                  0.82847400   -2.60661400   -2.49986600
 H                 -1.30212800   -4.44578000    0.80680900
 C                 -0.12260100   -0.01500100    2.63736400
 C                 -0.88554000    0.89596600    3.39995900
 C                  0.68242600   -0.94686400    3.32717700
 C                 -0.85000100    0.86402800    4.78798700
 H                 -1.53505700    1.60179200    2.89224300
 C                  0.72797000   -0.95555700    4.71574800
 H                  1.29511000   -1.64203500    2.76230300
 C                 -0.03785400   -0.05472300    5.47249900
 H                 -1.46585400    1.55768500    5.35423800
 H                  1.36958100   -1.66997500    5.22460400
 C                 -0.19710100    1.26263800    0.48691100
 C                  0.39732200    2.43029400    1.04648800
 C                 -0.83560300    1.42627900   -0.77480600
 C                  0.38769400    3.63987100    0.39527600
 H                  0.92569000    2.35267300    1.99044100
 C                 -0.87275800    2.63735600   -1.42503500
 H                 -1.37522000    0.58932600   -1.20511100
 C                 -0.24459300    3.79571200   -0.87563700
 H                 -1.44228700    2.70807100   -2.34229700
 C                 -0.68953300   -6.18667200   -1.02067700
 C                 -0.14547700   -5.03636600   -3.09830100
 C                  0.19764800   -7.33915900   -1.50274800
 H                 -1.73756000   -6.38341200   -1.28622800
 H                 -0.60835000   -6.12868600    0.06417300
 C                  0.72911400   -6.22782600   -3.48472500
 H                 -1.15598200   -5.18450100   -3.50508200
 H                  0.26031800   -4.12539900   -3.53267300
 H                 -0.19908100   -8.28681200   -1.12893500
 H                  1.21779500   -7.20188800   -1.10962300
 H                  0.72140600   -6.35787600   -4.57011400
 H                  1.76524200   -6.05239100   -3.15373200
 N                 -0.25160200   -4.92677200   -1.63566300
 O                  0.22420800   -7.43067100   -2.91961200
 N                 -0.24020000    4.98894200   -1.53740300
 C                 -0.76943300    5.14150600   -2.89898900
 C                 -0.06639600    6.28407200   -0.86141300
 C                  0.07173400    6.15724000   -3.67816200
 H                 -1.81588700    5.47482900   -2.85539300
 H                 -0.72614200    4.19091700   -3.42993200
 C                  0.75341500    7.23817700   -1.72760700
 H                 -1.06104600    6.71882800   -0.68735900
 H                  0.41941600    6.16028400    0.10391100
 H                 -0.39305600    6.34773900   -4.64914500
 H                  1.08020100    5.74474100   -3.84259100
 O                  0.15431300    7.40501800   -3.00569400
 H                  0.78761900    8.22572100   -1.26005900
 H                  1.78211000    6.85744100   -1.83151400
 H                  0.91262300    4.46871900    0.85197100
 C                  0.02885700   -0.05369300    6.97818900
 H                  0.78305100    0.66336400    7.32855900
 H                 -0.92844200    0.23995100    7.42056900
 H                  0.30595900   -1.03753000    7.36927000


