%chk=000046117.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046117

0 1
 O   -2.358300      0.8761000     -0.3753000    
 O   -2.509000      -1.280100      0.4813000    
 N    3.782600     -0.6693000     -0.2505000    
 N   -4.414000     -0.1182000     -0.1538000    
 C    3.245200      0.6050000      0.2252000    
 C    1.749900      0.6779000      6.5200001E-02
 C    1.169200      0.2587000      -1.123500    
 C   0.9737000       1.162200       1.108500    
 C    3.199700      -1.781500      0.4992000    
 C    5.240400     -0.6840000     -0.1359000    
 C  -0.2162000      0.3253000      -1.271800    
 C  -0.4117000       1.228900      0.9603000    
 C   -1.006600      0.8105000     -0.2301000    
 C   -3.056000     -0.2781000      3.0300001E-02
 C   -5.388800      -1.133400      0.1712000    
 H    3.674200       1.433000     -0.3545000    
 H    3.525800      0.7722000       1.274100    
 H    1.767000     -0.1085000      -1.952900    
 H    1.424900       1.492000       2.039900    
 H    2.125400      -1.898100      0.3267000    
 H    3.369400      -1.686500       1.578400    
 H    3.647800      -2.728800      0.1754000    
 H    5.648800      -1.617800     -0.5383000    
 H    5.576500     -0.5799000      0.9022000    
 H    5.681100      0.1285000     -0.7244000    
 H  -0.6731000      1.3000000E-03  -2.203000    
 H   -1.021600       1.608500       1.775400    
 H   -4.746200      0.7610000     -0.5378000    
 H   -5.938300      -1.382400     -0.7398000    
 H   -6.080500     -0.7182000      0.9083000    
 H   -4.912000      -2.030000      0.5738000    


%chk=000046117-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046117

0 1
O -2.474513 0.409951 0.440493
O -3.098850 -1.239100 -1.177324
N 3.958430 -0.681810 -0.157091
N -4.652797 -0.050091 0.122082
C 3.291913 0.609305 0.130069
C 1.772483 0.497602 0.211915
C 1.059117 -0.357322 -0.662561
C 1.036770 1.282696 1.133582
C 3.842265 -1.646244 0.955233
C 5.353172 -0.508361 -0.604956
C -0.350642 -0.440186 -0.638220
C -0.371306 1.223272 1.173994
C -1.057351 0.363237 0.287913
C -3.388363 -0.388118 -0.302029
C -5.852241 -0.678685 -0.435040
H 3.560204 1.301250 -0.694336
H 3.675451 1.080077 1.073522
H 1.631717 -0.977306 -1.361273
H 1.565977 1.945957 1.828939
H 2.778976 -1.801131 1.204853
H 4.371443 -1.309124 1.883230
H 4.269297 -2.618035 0.649743
H 5.775302 -1.489031 -0.889065
H 6.021892 -0.062257 0.175480
H 5.381742 0.147081 -1.494149
H -0.888567 -1.106459 -1.313637
H -0.947590 1.825591 1.882814
H -4.727744 0.664723 0.845838
H -6.506891 0.067357 -0.922354
H -6.429003 -1.206012 0.347118
H -5.530993 -1.412526 -1.190983


