!  def2-TZVP AutoAux printbasis DLPNO-CCSD(T) TightSCF CPCM
%pal nprocs 8 
 end 
 %maxcore 2800
%cpcm 
 smd true 
 solvent "n-Heptane" 
 end 
* xyz 0 1 
C  -0.230340  -0.707610  -0.463941
O  -0.327175  -1.900886  -0.336791
O  -0.971852   0.266537  -0.690628
O  -2.707334  -0.125348  -0.988501
C  -3.426592   0.225780   0.152417
C  -4.884047  -0.105712  -0.212170
C  -3.299766   1.724903   0.457380
C  -3.006250  -0.603819   1.373585
H  -5.185595   0.453336  -1.101561
H  -5.559400   0.153790   0.609999
H  -4.986742  -1.172428  -0.425949
H  -3.585453   2.309173  -0.421971
H  -2.264354   1.970641   0.706091
H  -3.936857   2.021781   1.297447
H  -3.037906  -1.667629   1.128008
H  -3.660900  -0.416312   2.231495
H  -1.981812  -0.357551   1.669045
H   1.163859  -0.120810  -0.310845
N   2.329201   0.044683  -0.138450
C   3.054406  -1.040363   0.137514
C   4.415163  -0.934322   0.354115
C   5.005336   0.321439   0.277290
C   4.226491   1.435807  -0.014585
C   2.871406   1.259879  -0.219306
H   2.507309  -1.974811   0.174017
H   4.995871  -1.819284   0.577489
H   6.070241   0.432816   0.443178
H   4.660651   2.424217  -0.082770
H   2.192723   2.071976  -0.450966
*

