!  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  -0.261792  -1.059146  -0.055075
O  -0.541795  -2.100670   0.488580
O  -0.988011  -0.203256  -0.679349
O  -2.622128  -0.537992  -0.839360
C  -3.331375   0.332982   0.014144
C  -4.798975  -0.011137  -0.269247
C  -3.063904   1.799963  -0.335356
C  -3.010952   0.066501   1.486971
H  -5.036411   0.166347  -1.321605
H  -5.458759   0.608996   0.345160
H  -4.997732  -1.061752  -0.040949
H  -3.273288   1.980552  -1.393799
H  -2.018987   2.053746  -0.143109
H  -3.695295   2.464499   0.262693
H  -3.187516  -0.984638   1.727024
H  -3.634365   0.685842   2.139765
H  -1.962506   0.293954   1.699524
H   1.189097  -0.481993  -0.112296
N   2.312123  -0.144083  -0.069669
C   3.268714  -1.063681  -0.215669
C   4.601154  -0.705407  -0.150977
C   4.921987   0.629166   0.070242
C   3.907691   1.567998   0.219017
C   2.595699   1.142415   0.143580
H   2.933769  -2.080502  -0.380922
H   5.368592  -1.458699  -0.268970
H   5.959495   0.936128   0.127727
H   4.125859   2.613361   0.392005
H   1.749172   1.810163   0.250684
*

