!  def2-TZVP AutoAux printbasis DLPNO-CCSD(T) TightSCF CPCM
%pal nprocs 8 
 end 
 %maxcore 2800
%cpcm 
 smd true 
 solvent "DiMethylSulfoxide" 
 end 
* xyz 0 1 
C   1.027929   0.853104  -0.080084
O   0.390863   1.880668  -0.148772
O   0.502646  -0.349146   0.023329
O   2.357820   0.901827  -0.109769
C   3.255041  -0.253534   0.021662
C   4.632377   0.392022  -0.064188
C   3.057668  -1.225401  -1.135837
C   3.067403  -0.918786   1.380139
H   4.756326   0.907466  -1.019891
H   5.407122  -0.373903   0.018950
H   4.771110   1.115665   0.742936
H   3.129200  -0.698844  -2.091497
H   2.093764  -1.729120  -1.079805
H   3.846635  -1.981483  -1.104915
H   3.155374  -0.178497   2.180185
H   3.849485  -1.669210   1.523489
H   2.098749  -1.411203   1.458962
H  -0.510519  -0.275495   0.019124
N  -2.147989  -0.235101   0.007945
C  -2.755459   0.953207   0.067589
C  -4.135742   1.084811   0.076559
C  -4.913807  -0.064136   0.017561
C  -4.283908  -1.300329  -0.048295
C  -2.897941  -1.338753  -0.048767
H  -2.095114   1.813146   0.104845
H  -4.586747   2.067855   0.128744
H  -5.995785   0.003227   0.021634
H  -4.851059  -2.221474  -0.097452
H  -2.364618  -2.282450  -0.097260
*

