%chk=000097131.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097131

0 1
 O    2.004500     -0.5233000     -0.9517000    
 O    1.219000       2.263000       1.178900    
 O    3.411100       2.129700     -0.4218000    
 O    3.789900      -2.609700     -0.3839000    
 N  -0.2081000     -0.2580000     -0.1367000    
 N   -1.637700      -1.887800      0.3905000    
 N   -1.776200       1.550500     -0.5516000    
 N   -4.081600      0.8196000     -0.2246000    
 C    1.725000      0.9846000      0.8529000    
 C    1.064100      0.4136000     -0.3924000    
 C    3.182200       1.011500      0.4356000    
 C    3.309800     -0.2697000     -0.3824000    
 C    3.708600      -1.473900      0.4592000    
 C   -1.457500      0.2902000     -0.2205000    
 C  -0.3701000      -1.568100      0.2331000    
 C   -2.328400     -0.7356000      0.1102000    
 C   -3.686800     -0.4349000      0.1009000    
 C   -3.116000       1.721000     -0.5263000    
 C   -4.751800      -1.422700      0.4304000    
 H    1.587700      0.3225000       1.715700    
 H   0.8696000       1.182700      -1.150100    
 H    3.874400       1.088600       1.278900    
 H    4.002100     -0.1587000      -1.224700    
 H    2.973900      -1.692000       1.240500    
 H    4.685500      -1.321300      0.9273000    
 H    1.392600       2.855700      0.4279000    
 H    4.339900       2.090600     -0.7074000    
 H   0.4641000      -2.240900      0.3782000    
 H    2.917500      -2.732200     -0.7957000    
 H   -3.467900       2.714800     -0.7819000    
 H   -4.721300      -2.258900     -0.2750000    
 H   -4.606800      -1.810400       1.443500    
 H   -5.745300     -0.9662000      0.3780000    


%chk=000097131-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000097131

0 1
O 1.870484 -0.549886 -0.822932
O 1.423865 2.093999 1.726471
O 3.341998 2.261282 -0.085667
O 3.788992 -2.577800 -1.022308
N -0.260929 -0.201858 0.188660
N -1.810769 -1.679464 1.031815
N -1.785623 1.302928 -1.058378
N -4.137656 0.619016 -0.846167
C 1.851306 0.858470 1.122120
C 1.007438 0.427313 -0.115516
C 3.282264 0.920964 0.522038
C 3.304150 -0.212191 -0.528515
C 3.967463 -1.510660 -0.043859
C -1.510548 0.234197 -0.272618
C -0.511580 -1.353469 0.959689
C -2.463747 -0.686317 0.265043
C -3.828611 -0.456501 -0.048968
C -3.125447 1.425665 -1.303300
C -4.943929 -1.332511 0.451995
H 1.792708 0.085756 1.907554
H 0.790287 1.299423 -0.761491
H 4.067829 0.804811 1.293507
H 3.765089 0.121873 -1.477026
H 3.551459 -1.799807 0.947253
H 5.059193 -1.376891 0.053545
H 1.799317 2.831341 1.171055
H 4.258003 2.476880 -0.384483
H 0.291017 -1.924194 1.421096
H 2.824901 -2.607556 -1.259547
H -3.427169 2.264912 -1.936340
H -4.782693 -2.383177 0.149134
H -4.977664 -1.327142 1.557117
H -5.905395 -0.975106 0.054023


