%chk=000170832.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170832

0 1
 O   0.5813000       1.882300     -0.4263000    
 O  -0.3689000       2.161600       1.660800    
 N    2.553100      0.2174000     -0.4294000    
 C    2.141700     -7.0000000E-02  0.9591000    
 C    2.189300      -1.020300      -1.139800    
 C   0.5951000      4.0800001E-02   1.026300    
 C  -0.1086000     -0.9116000      1.9800000E-02
 C   0.6561000     -0.9732000      -1.327500    
 C    2.611700      -1.511400       1.195600    
 C    2.631200      -2.145100     -0.1980000    
 C   -1.612100     -0.6910000     -6.5300003E-02
 C    3.971400      0.5456000     -0.5472000    
 C   0.2026000       1.480300      0.8203000    
 C   -2.447100      -1.216300      0.9183000    
 C   -2.147900      3.5599999E-02  -1.126300    
 C   -3.825100      -1.014100      0.8407000    
 C   -3.526000      0.2379000      -1.203800    
 C   -4.364500     -0.2871000     -0.2203000    
 C   0.2669000       3.238700     -0.7571000    
 H    2.588400      0.6275000       1.678100    
 H    2.663600      -1.100400      -2.124500    
 H   0.2711000     -0.2257000       2.042200    
 H  -9.7000003E-03  -1.925400      0.4370000    
 H   0.3307000      -1.864300      -1.880500    
 H   0.4308000     -0.1202000      -1.975500    
 H    1.964300      -2.062100       1.885700    
 H    3.624200      -1.523200       1.616400    
 H    3.651300      -2.469800     -0.4356000    
 H    1.985100      -3.026900     -0.2571000    
 H    4.641600     -0.2380000     -0.1794000    
 H    4.190000       1.465600      6.0999999E-03
 H    4.224200      0.7426000      -1.594700    
 H   -2.038900      -1.782600       1.751100    
 H   -1.534800      0.4765000      -1.903400    
 H   -4.477900      -1.421900       1.606800    
 H   -3.946200      0.8077000      -2.027400    
 H   -5.437200     -0.1284000     -0.2802000    
 H   0.6158000       3.429000      -1.775400    
 H   0.7809000       3.923000     -7.5499997E-02
 H  -0.8153000       3.395900     -0.7213000    


%chk=000170832-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170832

0 1
O -0.150240 1.966201 -0.365140
O 0.857992 2.421167 1.673251
N 2.720308 0.173689 -0.342959
C 2.195112 -0.188415 1.009777
C 2.271675 -1.002626 -1.158339
C 0.653299 0.078929 0.982300
C -0.034473 -0.854359 -0.067591
C 0.749070 -0.848389 -1.405018
C 2.530351 -1.713317 1.192095
C 2.610009 -2.258822 -0.273453
C -1.548761 -0.641755 -0.184548
C 4.179894 0.419614 -0.374567
C 0.472883 1.588013 0.816917
C -2.363965 -0.840047 0.961823
C -2.186122 -0.294770 -1.401336
C -3.765459 -0.683044 0.901742
C -3.589481 -0.141155 -1.469874
C -4.387181 -0.331139 -0.318951
C -0.314669 3.426473 -0.559986
H 2.650328 0.450738 1.784265
H 2.803519 -1.011692 -2.126137
H 0.256144 -0.151635 1.991022
H 0.082121 -1.873181 0.360849
H 0.386381 -1.670255 -2.053174
H 0.591847 0.108100 -1.932739
H 1.770791 -2.237348 1.799809
H 3.497301 -1.826542 1.713557
H 3.624319 -2.631733 -0.501827
H 1.905761 -3.090082 -0.456045
H 4.807002 -0.437890 -0.030197
H 4.411166 1.290311 0.263957
H 4.481426 0.667605 -1.407874
H -1.898536 -1.125914 1.914601
H -1.586129 -0.130389 -2.301494
H -4.371293 -0.840204 1.801649
H -4.060282 0.127681 -2.422810
H -5.475202 -0.211356 -0.371815
H -0.867453 3.521693 -1.505149
H 0.673856 3.911700 -0.623115
H -0.881108 3.863146 0.279321


