!  def2-TZVP AutoAux printbasis DLPNO-CCSD(T) TightSCF CPCM
%pal nprocs 8 
 end 
 %maxcore 2800
%cpcm 
 smd true 
 solvent "Butanone" 
 end 
* xyz 0 1 
C   1.028580   0.851560  -0.089582
O   0.390961   1.878019  -0.162473
O   0.504514  -0.352099   0.007737
O   2.358832   0.901102  -0.107642
C   3.255700  -0.253191   0.027520
C   4.632967   0.395053  -0.045941
C   3.067643  -1.222443  -1.134267
C   3.058438  -0.922099   1.383340
H   4.763946   0.911647  -1.000067
H   5.408824  -0.369052   0.044142
H   4.761620   1.118893   0.762631
H   3.144964  -0.692646  -2.087713
H   2.103412  -1.726449  -1.086437
H   3.856955  -1.978138  -1.100537
H   3.142270  -0.183507   2.185371
H   3.838316  -1.674239   1.529807
H   2.088095  -1.412548   1.453985
H  -0.507908  -0.280358  -0.000316
N  -2.149527  -0.240114  -0.006497
C  -2.751172   0.950441   0.065755
C  -4.130897   1.087822   0.089957
C  -4.914526  -0.057661   0.034198
C  -4.290502  -1.296195  -0.044570
C  -2.904699  -1.340227  -0.060964
H  -2.086022   1.806861   0.100526
H  -4.577252   2.072469   0.151644
H  -5.996143   0.014112   0.050974
H  -4.862022  -2.214802  -0.091897
H  -2.376006  -2.285968  -0.120272
*

