!  def2-TZVP AutoAux printbasis DLPNO-CCSD(T) TightSCF CPCM
%pal nprocs 8 
 end 
 %maxcore 2800
%cpcm 
 smd true 
 solvent "p-Isopropyltoluene" 
 end 
* xyz 0 1 
C  -0.241201  -1.061416  -0.100514
O  -0.445675  -2.171010   0.312431
O  -0.903273  -0.128775  -0.609373
O  -2.639050  -0.453692  -0.885638
C  -3.360286   0.321161   0.023040
C  -4.829085   0.000176  -0.299773
C  -3.101890   1.819405  -0.188831
C  -3.060624  -0.071233   1.475521
H  -5.045901   0.238478  -1.344203
H  -5.501642   0.581732   0.339379
H  -5.026678  -1.062849  -0.141246
H  -3.303236   2.087708  -1.229714
H  -2.056633   2.055056   0.026301
H  -3.735003   2.434751   0.459526
H  -3.211371  -1.144712   1.610873
H  -3.707196   0.467216   2.176573
H  -2.021051   0.159152   1.727023
H   1.162731  -0.465395  -0.095194
N   2.306271  -0.127947  -0.044082
C   3.254747  -1.061207  -0.131538
C   4.590339  -0.710204  -0.080587
C   4.920078   0.632131   0.065428
C   3.912510   1.585163   0.156859
C   2.597381   1.165145   0.096393
H   2.909232  -2.082154  -0.241343
H   5.352875  -1.474259  -0.151942
H   5.959713   0.934224   0.109774
H   4.138654   2.636815   0.272187
H   1.753791   1.842957   0.155237
*

