!  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   0.778282   1.843047  -0.253151
O   1.548983   2.650023   0.166971
O   1.074476   0.631559  -0.773266
O   2.471282   0.364471  -0.795434
C   2.775627  -0.690439   0.160458
C   4.274458  -0.860333  -0.051648
C   2.014612  -1.959563  -0.202232
C   2.464926  -0.232428   1.579569
H   4.490170  -1.150802  -1.082746
H   4.645069  -1.642638   0.614334
H   4.806527   0.067273   0.173309
H   2.210282  -2.240325  -1.240162
H   0.939098  -1.825679  -0.068403
H   2.337801  -2.777690   0.446532
H   2.976507   0.706199   1.801944
H   2.800970  -0.992408   2.289380
H   1.390671  -0.092328   1.726719
H  -0.319518   1.926445  -0.300846
N  -2.373163   0.763939  -0.201086
C  -3.602910   1.074619   0.215702
C  -4.602644   0.131090   0.414979
C  -4.312839  -1.204829   0.170279
C  -3.036509  -1.540018  -0.262844
C  -2.105390  -0.523686  -0.432535
H  -3.797700   2.127458   0.397808
H  -5.583321   0.442232   0.754475
H  -5.067372  -1.970117   0.313712
H  -2.762930  -2.568290  -0.466506
H  -1.097724  -0.750087  -0.769576
*

