%chk=000039948.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039948

0 1
 O   -1.399500      0.5526000     -0.4448000    
 O    5.482200      0.5997000     -0.2507000    
 O    3.812000      0.3618000       1.322400    
 N   -1.900200      -1.525400      0.3090000    
 C    2.047300     -0.7007000     -0.6258000    
 C  -0.2425000     -0.1719000     -0.4080000    
 C  -0.5527000      -1.442500      5.3900000E-02
 C    1.032500      0.2529000     -0.7610000    
 C    3.449200     -0.3275000     -0.9826000    
 C    1.777400      -1.994600     -0.1632000    
 C   0.4761000      -2.386400      0.1835000    
 C   -2.341700     -0.3265000     -2.4000001E-03
 C   -3.679600      0.1939000      5.9999999E-02
 C    4.235200      0.2434000      0.1804000    
 C   -3.938100       1.514500     -0.3185000    
 C   -4.730200     -0.6163000      0.4998000    
 C   -5.236400       2.020700     -0.2574000    
 C   -6.028700     -0.1101000      0.5607000    
 C   -6.281600       1.208500      0.1821000    
 C    6.343400       1.157100      0.7475000    
 C    7.676200       1.496700      0.1150000    
 H    1.219800       1.259600      -1.114800    
 H    3.984300      -1.207500      -1.359900    
 H    3.438800      0.4160000      -1.789200    
 H    2.582700      -2.719200     -6.3600004E-02
 H   0.2783000      -3.391300      0.5415000    
 H   -3.151600       2.179500     -0.6664000    
 H   -4.557600      -1.647100      0.8002000    
 H   -5.434000       3.047200     -0.5520000    
 H   -6.842900     -0.7422000      0.9030000    
 H    5.886700       2.064500       1.158300    
 H    6.490400      0.4274000       1.551600    
 H   -7.292600       1.602600      0.2296000    
 H    8.360700       1.926100      0.8519000    
 H    8.137000      0.6020000     -0.3165000    
 H    7.543400       2.211900     -0.7033000    


%chk=000039948-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039948

0 1
O -1.417146 0.661023 -0.492303
O 5.604995 0.578562 -0.246230
O 3.929568 0.403687 1.366521
N -1.950587 -1.455963 0.303017
C 2.086059 -0.676756 -0.643327
C -0.226588 -0.095986 -0.438167
C -0.557807 -1.391971 0.049599
C 1.066183 0.296794 -0.793153
C 3.521602 -0.327399 -0.987679
C 1.771292 -1.979776 -0.152811
C 0.458688 -2.357870 0.199092
C -2.426368 -0.256042 -0.017422
C -3.798704 0.235394 0.048794
C 4.318248 0.244142 0.190819
C -4.124523 1.564875 -0.334771
C -4.823583 -0.638963 0.506077
C -5.460242 2.009983 -0.261163
C -6.154790 -0.185567 0.576037
C -6.478708 1.138994 0.193056
C 6.523084 1.149651 0.790582
C 7.848662 1.435373 0.093327
H 1.284795 1.303000 -1.162245
H 4.072851 -1.214486 -1.351845
H 3.574525 0.415445 -1.805000
H 2.582927 -2.708369 -0.043981
H 0.229093 -3.359230 0.572833
H -3.331506 2.232828 -0.684311
H -4.553744 -1.658828 0.798067
H -5.708283 3.035020 -0.557118
H -6.941409 -0.861364 0.928569
H 6.053843 2.060725 1.203809
H 6.622342 0.413353 1.608568
H -7.515531 1.488547 0.248888
H 8.567087 1.862433 0.816586
H 8.283356 0.510488 -0.322609
H 7.714020 2.157655 -0.729806


