!  def2-TZVP AutoAux printbasis DLPNO-CCSD(T) TightSCF CPCM
%pal nprocs 8 
 end 
 %maxcore 2800
%cpcm 
 smd true 
 solvent "Acetone" 
 end 
* xyz 0 1 
C  -0.262613  -1.069284  -0.050494
O  -0.558121  -2.124897   0.456659
O  -0.975322  -0.190240  -0.656874
O  -2.610318  -0.516100  -0.849861
C  -3.329214   0.337607   0.013095
C  -4.793427  -0.005120  -0.290195
C  -3.060341   1.810712  -0.309448
C  -3.021230   0.043570   1.483461
H  -5.019527   0.184072  -1.343020
H  -5.459993   0.607507   0.324401
H  -4.992561  -1.058519  -0.075608
H  -3.265375   2.008521  -1.365651
H  -2.015903   2.060396  -0.108901
H  -3.694044   2.465418   0.297030
H  -3.192213  -1.013870   1.698972
H  -3.655475   0.645167   2.142295
H  -1.976667   0.274436   1.710983
H   1.190456  -0.492827  -0.088504
N   2.312189  -0.150447  -0.051377
C   3.271688  -1.066285  -0.201160
C   4.603056  -0.700813  -0.152395
C   4.919256   0.636922   0.056626
C   3.901648   1.571729   0.210288
C   2.591031   1.138939   0.150661
H   2.939908  -2.085604  -0.357482
H   5.373111  -1.450968  -0.273618
H   5.955759   0.949623   0.100965
H   4.116514   2.619226   0.374579
H   1.741654   1.802584   0.261171
*

