%chk=000108950.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108950

0 1
 O    3.750100       2.822900     -0.1115000    
 O    2.696600      -3.420300     -0.1656000    
 O   -5.839600     -0.2514000      0.1680000    
 N    1.397300      6.3000000E-03  0.2289000    
 N   -2.268600      0.5442000     -0.2257000    
 C   0.1764000      0.6572000     -0.2449000    
 C   -1.050200     -0.1148000      0.2320000    
 C    2.577400      0.7413000     -0.2248000    
 C    1.449700      -1.380200     -0.2333000    
 C    2.580500       2.152900      0.3398000    
 C    2.695800      -2.074700      0.2927000    
 C   -3.449800     -0.1746000      0.2301000    
 C   -4.715500      0.4912000     -0.2855000    
 H   0.1707000      0.7409000      -1.340200    
 H   7.6600000E-02   1.666100      0.1668000    
 H   -1.045100     -0.1833000       1.326900    
 H   -1.081200      -1.126100     -0.1813000    
 H    3.511700      0.2984000      0.1312000    
 H    2.646100      0.7690000      -1.320500    
 H   0.6218000      -1.982800      0.1508000    
 H    1.412100      -1.452900      -1.328500    
 H   -2.268800      0.6000000      -1.243900    
 H    2.594100       2.146100       1.434500    
 H    1.741300       2.766400      5.9000002E-03
 H    2.718600      -2.079700       1.387600    
 H    3.625200      -1.645600     -8.5400000E-02
 H   -3.484500     -0.2059000       1.326300    
 H   -3.432700      -1.217300     -0.1122000    
 H   -4.734500      0.5104000      -1.380400    
 H   -4.802400       1.516700      8.9199997E-02
 H    3.715600       2.854300      -1.082900    
 H    3.490300      -3.847300      0.1997000    
 H   -6.633000      0.1948000     -0.1741000    


%chk=000108950-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000108950

0 1
O 3.661409 2.983015 0.417852
O 2.894287 -3.485159 -0.003597
O -5.863622 0.099094 0.636725
N 1.471103 -0.040936 -0.307032
N -2.309077 0.283951 -0.461161
C 0.144033 0.401500 -0.789002
C -1.002030 -0.110893 0.106950
C 2.557582 0.942051 -0.503102
C 1.829642 -1.432666 -0.668126
C 2.575049 2.008334 0.613173
C 2.533218 -2.146047 0.494666
C -3.478475 -0.064681 0.375454
C -4.751631 0.549229 -0.216383
H -0.039466 0.078045 -1.845899
H 0.106389 1.505521 -0.790167
H -0.898159 0.346781 1.108243
H -0.901185 -1.216430 0.248878
H 3.530303 0.417596 -0.486619
H 2.488828 1.450533 -1.499486
H 0.911097 -1.995705 -0.912192
H 2.486709 -1.483342 -1.566487
H -2.416484 -0.073585 -1.422213
H 2.789537 1.532686 1.582778
H 1.590668 2.518002 0.684731
H 1.843598 -2.204576 1.361700
H 3.438093 -1.578569 0.800886
H -3.320883 0.351200 1.387673
H -3.635041 -1.163625 0.495166
H -4.892246 0.199311 -1.264308
H -4.659069 1.654423 -0.224969
H 3.512917 3.461513 -0.436936
H 3.348605 -3.993181 0.713692
H -6.703699 0.528811 0.338810


