%chk=000042372.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042372

0 1
 O   -1.789200      0.8205000      0.4408000    
 O   -1.985100      -1.447700      8.3899997E-02
 N   -4.637500      -1.224400     -0.4274000    
 C  -0.3961000      0.6538000      0.7243000    
 C   0.3027000      9.3000002E-02 -0.5342000    
 C   0.1759000       2.041100       1.042000    
 C  -0.2497000     -0.2572000       1.946000    
 C    1.801200     -7.1800001E-02 -0.4226000    
 C   -2.470100     -0.3247000      0.1325000    
 C   -3.921500      1.8500000E-02 -0.1459000    
 C    2.627000      0.9785000     -0.7871000    
 C    2.318100      -1.269500      4.2500000E-02
 C    4.009700      0.8266000     -0.6839000    
 C    3.700900      -1.421300      0.1458000    
 C   -4.032800      0.9578000      -1.339200    
 C    4.546700     -0.3731000     -0.2174000    
 H   7.8900002E-02  0.7509000      -1.387400    
 H  -9.1300003E-02 -0.8727000     -0.8626000    
 H  -0.4181000       2.520300       1.830000    
 H   0.1084000       2.704700      0.1723000    
 H    1.212700       2.009100       1.388900    
 H  -0.3908000      -1.318500       1.725600    
 H  -0.9801000      8.8999998E-03   2.719200    
 H   0.7479000     -0.1674000       2.390900    
 H   -4.347800      0.4733000      0.7544000    
 H    2.221600       1.915000      -1.158400    
 H    1.669200      -2.093200      0.3249000    
 H   -3.544600      0.5408000      -2.227800    
 H   -5.080600       1.159700      -1.587400    
 H   -3.554700       1.920500      -1.127900    
 H    4.668400       1.642100     -0.9681000    
 H    4.119100      -2.355700      0.5084000    
 H    5.623300     -0.4915000     -0.1374000    
 H   -4.283900      -1.640600      -1.288700    
 H   -5.620600      -1.018600     -0.6024000    


%chk=000042372-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000042372

0 1
O -1.830309 0.759576 0.457503
O -2.261513 -1.494117 -0.049666
N -4.960560 -0.951637 -0.142406
C -0.343353 0.568377 0.783111
C 0.359331 0.095888 -0.531837
C 0.073929 1.987146 1.195903
C -0.202686 -0.423781 1.951852
C 1.872768 -0.035611 -0.423892
C -2.632338 -0.299479 0.068966
C -4.049008 0.193749 -0.248415
C 2.729100 1.051247 -0.742070
C 2.465066 -1.259894 -0.015190
C 4.133023 0.925667 -0.642010
C 3.868106 -1.390732 0.087258
C -4.033846 0.886155 -1.649360
C 4.708405 -0.296424 -0.223593
H 0.099551 0.829223 -1.318901
H -0.080850 -0.875080 -0.816069
H -0.510571 2.315371 2.072347
H -0.101108 2.702931 0.373868
H 1.145096 2.004619 1.458109
H -0.526116 -1.435849 1.663173
H -0.810339 -0.086468 2.810081
H 0.853310 -0.463090 2.271172
H -4.305420 0.963291 0.504594
H 2.292090 1.999466 -1.079198
H 1.820013 -2.116828 0.214286
H -3.714540 0.173055 -2.431165
H -5.052810 1.237239 -1.895242
H -3.356376 1.758868 -1.657213
H 4.776342 1.775762 -0.896385
H 4.304937 -2.345658 0.400863
H 5.796984 -0.397341 -0.149364
H -4.514864 -1.849734 -0.354528
H -5.874246 -0.818708 -0.579979


