%chk=000159187.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159187

0 1
 O    1.227400       1.318100      -1.413100    
 O  -0.7133000      -2.224200     -0.5436000    
 N    3.302300     -9.5600002E-02 -3.0000001E-04
 C   0.9318000      0.1051000     -0.7089000    
 C    1.917200     -6.2500000E-02  0.4640000    
 C  -0.4885000      0.1441000     -0.2503000    
 C   -1.249500      -1.023300     -0.1878000    
 C   -1.053000       1.365300      0.1178000    
 C   -2.575200     -0.9693000      0.2425000    
 C   -2.378800       1.419300      0.5482000    
 C   -3.139800      0.2520000      0.6104000    
 C    4.219600     -0.2289000       1.121100    
 H    1.081900     -0.7052000      -1.432500    
 H    1.682200     -0.9861000       1.007600    
 H    1.794100      0.7772000       1.160700    
 H  -0.4799000       2.288200      9.3500003E-02
 H    3.510400      0.7625000     -0.5101000    
 H   -3.179800      -1.870800      0.2963000    
 H   -2.817700       2.369500      0.8383000    
 H   0.6143000       1.381400      -2.165800    
 H   -4.171800      0.2941000      0.9464000    
 H    5.248100     -0.2616000      0.7484000    
 H    4.040900      -1.158000       1.672300    
 H    4.139400      0.6179000       1.810500    
 H   -1.387000      -2.917200     -0.4351000    


%chk=000159187-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000159187

0 1
O 1.342537 1.406857 -1.341981
O -0.619266 -2.210666 -0.480240
N 3.285366 -0.123803 0.019502
C 0.937124 0.140530 -0.684990
C 1.900713 -0.013663 0.504763
C -0.521025 0.183868 -0.245097
C -1.282278 -1.010468 -0.147272
C -1.149032 1.403530 0.099890
C -2.633825 -0.987541 0.268441
C -2.497508 1.443071 0.522520
C -3.240208 0.243359 0.604341
C 4.293043 -0.285000 1.079975
H 1.104731 -0.712991 -1.370657
H 1.632457 -0.936156 1.054230
H 1.736753 0.850124 1.199008
H -0.559348 2.323170 0.021067
H 3.495271 0.652607 -0.621324
H -3.208175 -1.921519 0.331907
H -2.964120 2.398370 0.784686
H 0.824276 1.511209 -2.179323
H -4.286837 0.260340 0.927493
H 5.301702 -0.325860 0.631285
H 4.126544 -1.241810 1.610654
H 4.289263 0.527370 1.849514
H -1.232859 -2.982928 -0.407892


