%chk=000167851.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000167851

0 1
 O   -3.100600       1.807600      0.3616000    
 O    1.212200       3.710600      0.3773000    
 O    5.252400      -1.531000     -0.6257000    
 N   -1.252200      -2.726800      0.4225000    
 N   0.7129000       1.434400      0.4104000    
 C   0.4053000     -0.9800000      0.4127000    
 C  -0.3316000      0.3982000      0.4019000    
 C  -0.2465000      -2.071700     -0.4593000    
 C   -1.183600      0.7372000     -0.8327000    
 C   -1.937000     -0.4818000      -1.385100    
 C  -0.8641000      -1.525000      -1.748700    
 C   0.3461000      -1.631400       1.801200    
 C    1.820700     -0.5577000      0.1098000    
 C   -1.015100      -2.301100       1.809400    
 C   -1.979800       2.024000     -0.5060000    
 C   -2.928000      -1.092900     -0.4136000    
 C   -2.647300      -2.518400      3.8000001E-03
 C    1.964800      0.8338000      0.1953000    
 C   -1.094000       3.076000      0.2202000    
 C   0.4052000       2.782700      0.3418000    
 C   -3.951200     -0.3900000      9.6400000E-02
 C    2.917400      -1.363500     -0.1649000    
 C   -4.163500       1.053800     -0.2091000    
 C    3.196200       1.442300      6.3999998E-03
 C    4.161500     -0.7606000     -0.3567000    
 C    4.299800      0.6314000     -0.2687000    
 H  -0.9302000      0.5249000       1.313800    
 H   0.4900000      -2.839700     -0.7254000    
 H  -0.5003000       1.037700      -1.645300    
 H   -2.462400     -0.2009000      -2.306900    
 H   -1.303400      -2.339300      -2.339800    
 H  -8.6400002E-02  -1.081800      -2.383400    
 H   0.4583000     -0.9164000       2.623800    
 H    1.129400      -2.392500       1.917300    
 H   -1.034400      -3.159300       2.488400    
 H   -1.767500      -1.584200       2.160200    
 H   -2.352200       2.468200      -1.438100    
 H   -3.329000      -2.851400      0.7971000    
 H   -2.860700      -3.179800     -0.8459000    
 H   -1.460800       3.259700       1.238200    
 H   -1.189600       4.026800     -0.3198000    
 H   -4.630400     -0.8558000      0.8049000    
 H    2.817500      -2.443000     -0.2172000    
 H   -4.283200       1.248400      -1.281000    
 H   -5.088100       1.380400      0.2787000    
 H    3.329200       2.516300      5.6600001E-02
 H    5.270800       1.097100     -0.4191000    
 H    6.028600     -0.9539000     -0.7280000    


%chk=000167851-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000167851

0 1
O -3.142326 1.866037 0.400852
O 1.281047 3.720720 0.105615
O 5.307276 -1.614218 -0.639514
N -1.271296 -2.715289 0.425714
N 0.743661 1.468426 0.446704
C 0.431339 -0.950001 0.444101
C -0.335330 0.422693 0.424756
C -0.230089 -2.056224 -0.452693
C -1.197767 0.749472 -0.820202
C -1.956071 -0.484136 -1.386782
C -0.864092 -1.523945 -1.753628
C 0.325937 -1.623775 1.850761
C 1.860165 -0.546919 0.110365
C -1.079161 -2.258802 1.837098
C -1.994023 2.046752 -0.509981
C -2.980017 -1.129997 -0.438443
C -2.673160 -2.578216 -0.073109
C 2.010849 0.863222 0.191532
C -1.096927 3.088335 0.230936
C 0.410349 2.806752 0.247465
C -4.022812 -0.439792 0.096851
C 2.966686 -1.364080 -0.163617
C -4.243268 1.038268 -0.149185
C 3.263171 1.482273 0.006870
C 4.228142 -0.750120 -0.362483
C 4.376830 0.655839 -0.275750
H -0.972002 0.518250 1.325117
H 0.555741 -2.796716 -0.703526
H -0.487290 1.040396 -1.625105
H -2.483366 -0.156024 -2.308596
H -1.285866 -2.365183 -2.332925
H -0.082099 -1.061871 -2.384752
H 0.466989 -0.901554 2.673223
H 1.107147 -2.400643 1.939094
H -1.160958 -3.105590 2.543205
H -1.846058 -1.502987 2.125862
H -2.370578 2.465142 -1.469932
H -3.356265 -2.941126 0.715162
H -2.808822 -3.248053 -0.944020
H -1.460073 3.109000 1.277384
H -1.229659 4.102676 -0.175596
H -4.712872 -0.949096 0.782988
H 2.891129 -2.454123 -0.224017
H -4.354234 1.258996 -1.234878
H -5.147425 1.395241 0.370711
H 3.355769 2.567649 0.070477
H 5.362517 1.114772 -0.427673
H 6.144362 -1.100833 -0.757135


