%chk=000100186.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100186

0 1
 O   0.2008000       2.398800       1.022500    
 O   -2.174500      -2.824800     -0.1612000    
 O  -0.3011000      -1.796200      0.3585000    
 N    2.744700      0.1771000     -0.4902000    
 N   -1.597400      0.6425000     -0.3902000    
 N   -3.459500     -0.3567000      0.2308000    
 N   -1.528900      -1.760800      5.9599999E-02
 C    3.735300     -0.4380000      0.3819000    
 C    4.151900      0.3896000     -0.7988000    
 C    2.153700       1.380300      7.9800002E-02
 C   0.6822000       1.177400      0.4569000    
 C    3.984100      -1.900300      0.3796000    
 C  -0.1926000      0.8328000     -0.7550000    
 C   -2.182000     -0.5260000     -2.8999999E-02
 C   -2.532300       1.623300     -0.3669000    
 C   -3.684400      0.9809000      2.1700000E-02
 H    3.882100     -1.9200001E-02   1.370800    
 H    4.585600       1.364200     -0.6130000    
 H    4.513300     -0.1121000      -1.686900    
 H    2.210700       2.192600     -0.6589000    
 H    2.689200       1.765200      0.9598000    
 H   0.5988000      0.4169000       1.239600    
 H    3.311400      -2.398300       1.085000    
 H    3.826600      -2.346300     -0.6083000    
 H    5.013500      -2.110300      0.6869000    
 H   0.1462000     -5.3399999E-02  -1.299500    
 H  -0.1835000       1.662700      -1.474200    
 H   0.2803000       3.094800      0.3478000    
 H   -2.321900       2.653900     -0.6168000    
 H   -4.664200       1.413600      0.1615000    


%chk=000100186-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100186

0 1
O 0.143872 2.610216 1.004015
O -1.860917 -2.911018 0.781907
O 0.068099 -1.708237 0.507001
N 2.843125 0.492414 -0.605909
N -1.441141 0.517308 -0.389598
N -3.333260 -0.550196 0.342021
N -1.234792 -1.826535 0.499187
C 3.532748 -0.514389 0.297793
C 4.355686 0.437994 -0.556639
C 2.231375 1.670453 0.061521
C 0.761206 1.392528 0.449292
C 3.370152 -1.981698 -0.047314
C -0.042697 0.845424 -0.751689
C -1.998510 -0.650692 0.156793
C -2.505113 1.397034 -0.537469
C -3.657242 0.727010 -0.086012
H 3.506032 -0.277022 1.373355
H 4.884310 1.257712 -0.049471
H 4.837434 0.069082 -1.468112
H 2.266048 2.515188 -0.660495
H 2.769878 1.995777 0.983150
H 0.711732 0.662605 1.272042
H 2.399959 -2.363176 0.314856
H 3.407947 -2.125919 -1.141364
H 4.179906 -2.580062 0.410303
H 0.472402 -0.047638 -1.134315
H -0.081354 1.601682 -1.558025
H 0.342948 3.374382 0.402358
H -2.362870 2.398519 -0.933423
H -4.678866 1.095453 -0.041958


