!  def2-TZVP AutoAux printbasis DLPNO-CCSD(T) TightSCF CPCM
%pal nprocs 8 
 end 
 %maxcore 2800
%cpcm 
 smd true 
 solvent "Isopropylbenzene" 
 end 
* xyz 0 1 
C   0.766154   1.832688  -0.286659
O   1.544076   2.642601   0.106423
O   1.048472   0.596836  -0.767002
O   2.444150   0.328717  -0.807988
C   2.769896  -0.685081   0.176513
C   4.269028  -0.844061  -0.046336
C   2.020928  -1.975638  -0.136364
C   2.470554  -0.185999   1.585196
H   4.476894  -1.164625  -1.069804
H   4.662916  -1.597018   0.640106
H   4.788205   0.099285   0.136653
H   2.210646  -2.288547  -1.165820
H   0.945032  -1.846607  -0.001914
H   2.352115  -2.771209   0.536277
H   2.962075   0.771392   1.766301
H   2.831358  -0.912238   2.318211
H   1.396208  -0.062296   1.743969
H  -0.331962   1.920099  -0.333874
N  -2.356739   0.763607  -0.194022
C  -3.565796   1.070724   0.275895
C  -4.570123   0.131318   0.471091
C  -4.304870  -1.195922   0.163577
C  -3.049251  -1.526753  -0.327192
C  -2.112690  -0.514127  -0.487989
H  -3.738941   2.117958   0.505700
H  -5.534783   0.438670   0.856449
H  -5.063292  -1.958246   0.302134
H  -2.796084  -2.548712  -0.582297
H  -1.119771  -0.731286  -0.871802
*

