!  def2-TZVP AutoAux printbasis DLPNO-CCSD(T) TightSCF CPCM
%pal nprocs 8 
 end 
 %maxcore 2800
%cpcm 
 smd true 
 solvent "Toluene" 
 end 
* xyz 0 1 
C   0.766981   1.832770  -0.286907
O   1.545227   2.642878   0.105072
O   1.048841   0.596376  -0.766163
O   2.444528   0.328341  -0.807880
C   2.770939  -0.685228   0.176556
C   4.270056  -0.843764  -0.046982
C   2.022165  -1.976029  -0.135930
C   2.472099  -0.185971   1.585332
H   4.477556  -1.165317  -1.070224
H   4.664674  -1.595798   0.640063
H   4.788824   0.100063   0.134754
H   2.210973  -2.288442  -1.165709
H   0.946349  -1.847507  -0.000329
H   2.354401  -2.771715   0.536068
H   2.963768   0.771428   1.766096
H   2.833046  -0.912135   2.318350
H   1.397807  -0.062096   1.744380
H  -0.331107   1.920381  -0.333699
N  -2.357925   0.763615  -0.192865
C  -3.567185   1.070753   0.276555
C  -4.571807   0.131427   0.470716
C  -4.306646  -1.195726   0.162667
C  -3.050796  -1.526561  -0.327527
C  -2.113947  -0.514007  -0.487316
H  -3.740234   2.117909   0.506825
H  -5.536649   0.438777   0.855649
H  -5.065316  -1.957974   0.300360
H  -2.797661  -2.548441  -0.583017
H  -1.120871  -0.731184  -0.870735
*

