%chk=000068944.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068944

0 1
 O    4.302600     -0.3183000     -0.8101000    
 O   -2.085400      -2.587100     -0.2566000    
 O  -5.6800000E-02  -2.252600      0.5127000    
 N  -0.3970000      0.5087000      0.2861000    
 N   -2.137800       1.669100     -0.4247000    
 N   -1.153600      -1.798600      7.5199999E-02
 C   0.9364000      0.2311000      0.8065000    
 C    2.000400      6.9600001E-02 -0.2785000    
 C  -0.9121000       1.744100      4.4399999E-02
 C   -1.336800     -0.4166000     -4.2700000E-02
 C    3.400300     -0.1603000      0.2773000    
 C   -2.408800      0.3248000     -0.4809000    
 C  -0.1515000       2.986100      0.2914000    
 H   0.9108000     -0.5883000       1.526700    
 H    1.212600       1.092500       1.428100    
 H    2.016200      0.9531000     -0.9295000    
 H    1.738700     -0.7627000     -0.9440000    
 H    3.430800      -1.066100      0.8909000    
 H    3.724800      0.6930000      0.8809000    
 H   -3.364400     -3.4600001E-02 -0.8361000    
 H   0.8054000       2.983600     -0.2385000    
 H  -0.7188000       3.853900     -6.1000001E-02
 H   3.3599999E-02   3.126700       1.360800    
 H    5.185300     -0.4633000     -0.4288000    


%chk=000068944-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000068944

0 1
O 4.336592 -0.298928 -0.862849
O -2.182771 -2.568077 -0.299766
O -0.055312 -2.338789 0.521978
N -0.350260 0.531917 0.338790
N -2.171304 1.648900 -0.462505
N -1.174000 -1.843531 0.067316
C 1.019592 0.311964 0.862798
C 2.040742 0.061248 -0.267451
C -0.913480 1.773307 0.059629
C -1.315414 -0.425514 -0.042039
C 3.436330 -0.226921 0.296473
C -2.424934 0.291193 -0.524774
C -0.232594 3.082188 0.307061
H 0.992904 -0.550267 1.546574
H 1.293714 1.212634 1.440808
H 2.104760 0.942192 -0.933488
H 1.719597 -0.801303 -0.876823
H 3.427220 -1.184545 0.859987
H 3.751513 0.586234 0.988773
H -3.359068 -0.115561 -0.901869
H 0.743088 3.149651 -0.207579
H -0.886190 3.880099 -0.075935
H -0.060236 3.265577 1.384373
H 5.234410 -0.595868 -0.569880


