%chk=000084042.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000084042

0 1
 O    1.382600     -0.7873000      0.8710000    
 O   0.9869000       2.316800     -0.6830000    
 O    3.320000      -1.562400     -6.3800000E-02
 N    2.430200      0.5005000     -0.6048000    
 C   0.6062000      0.4200000      0.7840000    
 C  -0.7860000      8.0300003E-02  0.3701000    
 C    1.331700       1.228300     -0.2509000    
 C   -1.837900      0.9384000      0.6904000    
 C   -1.036000      -1.095800     -0.3369000    
 C    2.470300     -0.6901000      4.6999998E-02
 C   -3.139900      0.6205000      0.3038000    
 C   -2.338000      -1.413700     -0.7237000    
 C   -3.389900     -0.5555000     -0.4033000    
 H   0.6442000      0.9184000       1.758100    
 H   -1.655000       1.858000       1.240000    
 H  -0.2414000      -1.781800     -0.6156000    
 H    3.118100      0.8021000      -1.285200    
 H   -3.959000       1.288900      0.5528000    
 H   -2.532800      -2.327800      -1.277000    
 H   -4.403500     -0.8026000     -0.7052000    


%chk=000084042-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000084042

0 1
O 1.515404 -0.961642 0.616973
O 0.991630 2.564140 -0.029270
O 3.465637 -1.397597 -0.613439
N 2.446389 0.759376 -0.547068
C 0.632226 0.221676 0.827653
C -0.795328 -0.055055 0.363619
C 1.333392 1.366229 0.050175
C -1.750093 0.992078 0.408433
C -1.175487 -1.342985 -0.081608
C 2.585935 -0.616298 -0.238477
C -3.079834 0.746845 0.002404
C -2.509231 -1.580241 -0.485809
C -3.463766 -0.539129 -0.444763
H 0.660064 0.452169 1.908909
H -1.451361 1.992980 0.738654
H -0.434670 -2.147324 -0.103687
H 3.109852 1.245971 -1.151174
H -3.813508 1.559632 0.033920
H -2.799748 -2.578965 -0.829718
H -4.496701 -0.726659 -0.757928


