!  def2-TZVP AutoAux printbasis DLPNO-CCSD(T) TightSCF CPCM
%pal nprocs 8 
 end 
 %maxcore 2800
%cpcm 
 smd true 
 solvent "2-butanol" 
 end 
* xyz 0 1 
C   1.030125   0.862953  -0.086253
O   0.410457   1.902009  -0.198957
O   0.487564  -0.320639   0.064234
O   2.359407   0.898136  -0.113841
C   3.250978  -0.265398   0.022344
C   4.628896   0.376020  -0.079672
C   3.033000  -1.240114  -1.128325
C   3.067576  -0.915516   1.388120
H   4.747017   0.882720  -1.040869
H   5.403125  -0.390173   0.005043
H   4.773695   1.106998   0.719920
H   3.096506  -0.717079  -2.086382
H   2.067141  -1.739453  -1.060456
H   3.817042  -2.001488  -1.103654
H   3.150416  -0.164883   2.178916
H   3.855341  -1.658408   1.539369
H   2.103654  -1.415710   1.475759
H  -0.533775  -0.239776   0.050816
N  -2.140434  -0.203428   0.025585
C  -2.778650   0.967701   0.100588
C  -4.161356   1.064280   0.095640
C  -4.909261  -0.102392   0.005273
C  -4.247517  -1.320822  -0.076421
C  -2.861527  -1.324451  -0.061162
H  -2.146976   1.847265   0.163098
H  -4.636859   2.034902   0.161440
H  -5.992732  -0.062566  -0.002612
H  -4.790254  -2.254952  -0.150643
H  -2.303307  -2.253020  -0.121117
*

