%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                 -1.05077700    0.00443200   -0.42617400
 C                 -0.26074200    1.32959600   -0.33314500
 C                 -0.16353400    2.04068100    0.86714800
 C                  0.60172600    3.20310000    0.97756200
 C                  1.32518200    3.70199800   -0.11916600
 C                  1.25097600    2.97139800   -1.32269700
 C                  0.48241700    1.81922900   -1.42071300
 H                  0.49671500    1.28271800   -2.36390200
 H                  1.82850600    3.29012500   -2.18455000
 H                  0.61118900    3.72266600    1.92854200
 H                 -0.70056700    1.69425200    1.74320900
 C                 -2.15820800   -0.02905100    0.65271800
 C                 -2.25999300   -1.04599100    1.60480600
 C                 -3.29829900   -1.05289200    2.54081300
 C                 -4.26923700   -0.04801600    2.56043400
 C                 -4.16056900    0.97978400    1.61095500
 C                 -3.12359800    0.99361200    0.68394300
 H                 -3.06235100    1.81155100   -0.02708800
 H                 -4.89529700    1.78182500    1.60175500
 H                 -3.35149700   -1.86233400    3.26516400
 H                 -1.53304700   -1.84912600    1.61803500
 C                 -1.80944800   -0.00361500   -1.85546900
 H                 -1.99499000    1.04058800   -2.11709600
 C                 -1.02317700   -0.57607800   -2.95039400
 N                 -0.41951800   -1.00356300   -3.84514900
 C                 -3.18840900   -0.69092200   -1.83348900
 O                 -3.39147200   -1.87165900   -1.65391500
 O                 -4.14847500    0.21660400   -2.04673500
 C                 -5.50432200   -0.26804000   -1.92254100
 H                 -5.67897900   -1.09357800   -2.61571500
 H                 -6.13817600    0.58394400   -2.16453800
 H                 -5.67846300   -0.60134000   -0.89621600
 C                 -0.08044600   -1.18807600   -0.29015200
 C                  1.18344900   -1.03443600    0.30035700
 C                  2.04703300   -2.11036900    0.47231500
 C                  1.68745000   -3.41079200    0.06920100
 C                  0.41717600   -3.57029700   -0.51358200
 C                 -0.43820900   -2.48347600   -0.68769900
 H                 -1.41539400   -2.66435400   -1.11984600
 H                  0.07107000   -4.54887000   -0.82534900
 H                  3.02826700   -1.92788400    0.89897400
 H                  1.51666300   -0.05474100    0.62208000
 N                  2.13638400    4.85225600   -0.04344900
 C                  1.93684800    5.87431600   -1.08339900
 C                  2.32637300    5.46830600    1.26954700
 C                  3.09448000    6.86723200   -1.06977000
 H                  0.99115400    6.41722900   -0.91029500
 H                  1.87886800    5.40565600   -2.06746100
 C                  3.47043700    6.47912000    1.20370700
 H                  1.40957400    5.97714600    1.61741800
 H                  2.58484300    4.69478800    1.99929900
 H                  2.90812000    7.67683300   -1.78142100
 H                  4.02660300    6.35155600   -1.35328600
 O                  3.23881100    7.47269000    0.21126700
 H                  3.56442800    7.00407100    2.15876900
 H                  4.41438500    5.94920800    0.99592400
 N                  2.59789200   -4.47667200    0.21979800
 C                  3.21425200   -4.64538600    1.54482100
 C                  2.24141800   -5.76957600   -0.36338900
 C                  4.40821400   -5.58990800    1.45002000
 H                  2.48050300   -5.05850100    2.25918000
 H                  3.55123800   -3.68166400    1.93078200
 C                  3.46857300   -6.67925300   -0.39091000
 H                  1.43332800   -6.26410900    0.20492400
 H                  1.89387800   -5.62065600   -1.39021600
 H                  4.81676600   -5.78626700    2.44569500
 H                  5.19326400   -5.13045600    0.82721300
 O                  4.02724900   -6.85017800    0.90752600
 H                  3.19130400   -7.67538200   -0.74788300
 H                  4.22251500   -6.25480300   -1.07379000
 C                 -5.38412300   -0.04564500    3.57896100
 H                 -5.49117800   -1.02336600    4.05935400
 H                 -5.19500100    0.69261200    4.36927200
 H                 -6.34398200    0.21544600    3.11887600


