%chk=000094230.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094230

0 1
 O   -2.165300       1.426400      -1.750600    
 O   -2.722100      -2.430900      0.9881000    
 N    2.023000       2.110900     -0.1716000    
 N   -1.762100     -0.8152000     -0.3864000    
 N   -2.772300       2.630000      0.1093000    
 C  -0.9300000      0.6632000       1.415100    
 C   0.3595000      0.9817000      0.7690000    
 C   -2.065900      0.3394000      0.4206000    
 C    1.387300      5.8400001E-02  0.4285000    
 C    2.419200      0.7925000     -0.1601000    
 C   0.7796000       2.235200      0.3877000    
 C    1.539100      -1.335800      0.5650000    
 C   -2.313200       1.499300     -0.5329000    
 C    3.600100      0.1997000     -0.6210000    
 C    2.715100      -1.942400      0.1088000    
 C    3.728400      -1.184500     -0.4749000    
 C   -2.118200      -2.107200     -3.1199999E-02
 C   -1.702100      -3.120800      -1.063400    
 H   -1.227100       1.500700       2.059100    
 H  -0.7971000     -0.1914000       2.091500    
 H   -2.990000      0.1454000      0.9787000    
 H   0.3094000       3.205700      0.4647000    
 H    2.571500       2.875800     -0.5396000    
 H   -1.249500     -0.6720000      -1.252600    
 H   0.7640000      -1.943000       1.023100    
 H    4.389600      0.7888000      -1.075300    
 H    2.838200      -3.017100      0.2128000    
 H    4.633500      -1.676300     -0.8220000    
 H   -2.986600       3.473000     -0.4128000    
 H   -2.926500       2.665900       1.111600    
 H   -1.707000      -4.119700     -0.6187000    
 H   -2.404400      -3.093600      -1.900800    
 H  -0.6930000      -2.908400      -1.428100    


%chk=000094230-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000094230

0 1
O -2.358245 1.731506 -1.678593
O -1.990626 -2.330706 1.037834
N 2.075007 1.971375 -0.358207
N -1.908717 -0.649990 -0.556026
N -3.021213 2.744944 0.299303
C -0.980787 0.672884 1.392584
C 0.343012 0.937326 0.722594
C -2.179286 0.420381 0.401243
C 1.392740 -0.040570 0.478832
C 2.466996 0.636516 -0.200594
C 0.800305 2.148198 0.199011
C 1.532542 -1.422359 0.782971
C -2.526943 1.677103 -0.422602
C 3.657065 -0.022046 -0.582975
C 2.717577 -2.083063 0.406166
C 3.767653 -1.392199 -0.270824
C -1.822206 -1.970340 -0.174001
C -1.480965 -2.958302 -1.282785
H -1.259336 1.508758 2.063731
H -0.914652 -0.233858 2.018985
H -3.050578 0.131934 1.024868
H 0.310678 3.120431 0.175376
H 2.625708 2.698851 -0.807972
H -1.775966 -0.344499 -1.527124
H 0.732148 -1.963232 1.301085
H 4.467102 0.504614 -1.100337
H 2.842003 -3.146763 0.638128
H 4.676639 -1.936606 -0.550649
H -3.273739 3.596953 -0.200929
H -3.190260 2.688334 1.302087
H -0.413313 -3.233340 -1.200641
H -2.076066 -3.875468 -1.145216
H -1.659176 -2.553069 -2.293720


