!  def2-TZVP AutoAux printbasis DLPNO-CCSD(T) TightSCF CPCM
%pal nprocs 8 
 end 
 %maxcore 2800
%cpcm 
 smd true 
 solvent "Acetonitrile" 
 end 
* xyz 0 1 
C  -0.269558  -1.103406  -0.052081
O  -0.599252  -2.165995   0.420537
O  -0.972723  -0.199801  -0.644550
O  -2.596006  -0.504013  -0.851302
C  -3.313549   0.350881   0.015129
C  -4.777374   0.012381  -0.291859
C  -3.037447   1.822704  -0.304885
C  -3.006752   0.050653   1.484053
H  -5.001019   0.203239  -1.344878
H  -5.442736   0.626758   0.322009
H  -4.980078  -1.040469  -0.077996
H  -3.244721   2.023994  -1.359974
H  -1.991249   2.066444  -0.106324
H  -3.666445   2.478685   0.304828
H  -3.179947  -1.007277   1.695741
H  -3.641010   0.651193   2.143514
H  -1.962160   0.279617   1.713030
H   1.201216  -0.522378  -0.068566
N   2.309940  -0.166923  -0.034527
C   3.281604  -1.070784  -0.179907
C   4.607494  -0.685110  -0.143735
C   4.905076   0.659697   0.047065
C   3.874758   1.581512   0.196386
C   2.570357   1.129109   0.150264
H   2.963369  -2.096195  -0.323345
H   5.387570  -1.425328  -0.261357
H   5.936972   0.988366   0.080409
H   4.075428   2.633810   0.346861
H   1.711422   1.780651   0.257692
*

