%chk=000171304.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000171304

0 1
 O    2.861800      0.8845000     -0.1984000    
 O   -3.086100      -1.192200      2.4599999E-02
 O   -3.410500       1.395400     -0.2337000    
 N  -0.9579000      -2.035100      0.1626000    
 C    2.450100     -0.4237000      0.2191000    
 C   0.9429000     -0.6208000      0.1377000    
 C   5.0900001E-02  0.5448000      2.9200001E-02
 C   0.7178000       1.901900     -4.0899999E-02
 C    2.141100       1.898200      0.4873000    
 C   -1.291200      0.3748000     -2.2600001E-02
 C   0.3945000      -1.845400      0.2023000    
 C    3.256300      -1.399100     -0.6406000    
 C   -1.871100      -1.008600      5.6800000E-02
 C   -2.198600       1.525300     -0.1834000    
 H    2.762600     -0.5461000       1.264800    
 H   0.7337000       2.212300      -1.093700    
 H   0.1654000       2.653900      0.5315000    
 H    2.620800       2.858800      0.2736000    
 H    2.184400       1.738400       1.571700    
 H   0.9745000      -2.753700      0.3052000    
 H    4.322100      -1.145300     -0.6067000    
 H    3.148100      -2.434900     -0.3061000    
 H    2.953300      -1.336800      -1.692200    
 H   -1.300600      -2.989600      0.2202000    
 H   -1.744600       2.520500     -0.2838000    


%chk=000171304-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000171304

0 1
O 2.914712 0.896285 -0.234972
O -3.148558 -1.324788 0.018755
O -3.479745 1.520328 -0.188560
N -0.950933 -2.046950 0.154958
C 2.494722 -0.438733 0.222921
C 0.968022 -0.594526 0.146245
C 0.076548 0.535741 0.042921
C 0.691837 1.936677 0.009372
C 2.159332 1.937777 0.469873
C -1.328387 0.351432 -0.028674
C 0.404162 -1.866349 0.203123
C 3.279350 -1.434698 -0.642850
C -1.930933 -0.994156 0.045230
C -2.219602 1.521829 -0.215816
H 2.811317 -0.545030 1.288055
H 0.645689 2.324669 -1.026824
H 0.116746 2.635571 0.643085
H 2.653356 2.889167 0.215391
H 2.229721 1.779100 1.568707
H 1.012894 -2.770583 0.291207
H 4.351509 -1.180061 -0.594969
H 3.160117 -2.472850 -0.286086
H 2.950660 -1.375462 -1.694022
H -1.360395 -2.986794 0.198713
H -1.682443 2.479903 -0.421283


