%chk=000170890.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170890

0 1
 O    2.560600       2.216700     -0.5136000    
 O    3.799900      0.6247000      0.5334000    
 O   -3.715100     -0.9761000     -2.8899999E-02
 N   -2.140600      0.7766000      5.7000000E-02
 N    2.782100      -1.882900     -0.1000000    
 C  -0.9108000      0.1190000      1.8999999E-02
 C    1.504100      0.1952000      1.5000000E-02
 C   0.2747000      0.8532000      5.4000001E-02
 C    1.547800      -1.197100     -5.8899999E-02
 C  -0.8671000      -1.273100     -5.4900002E-02
 C   0.3622000      -1.931200     -9.3900003E-02
 C    2.724700      0.9909000      5.2400000E-02
 C   -3.423800      0.2140000      3.0300001E-02
 C   -4.498800       1.270100      8.9000002E-02
 H   0.2212000       1.937400      0.1255000    
 H   -1.740800      -1.908900     -8.6099997E-02
 H   0.3831000      -3.016600     -0.1516000    
 H   -2.089200       1.791800      0.1102000    
 H    3.656900      -1.377100     -8.6199999E-02
 H    2.792600      -2.893000     -0.1546000    
 H   -4.417800       1.827700       1.026300    
 H   -5.484400      0.7991000      3.9299998E-02
 H   -4.391200       1.956600     -0.7555000    
 H    3.386200       2.745900     -0.4847000    


%chk=000170890-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000170890

0 1
O 2.519981 2.377238 -0.061488
O 3.943968 0.552550 -0.099074
O -3.738692 -0.981775 0.043003
N -2.177041 0.771812 0.014565
N 2.831350 -1.911511 -0.080816
C -0.936064 0.066363 -0.009352
C 1.529528 0.184165 -0.052462
C 0.253827 0.813359 -0.027637
C 1.617055 -1.256241 -0.059081
C -0.855521 -1.361348 -0.016052
C 0.391222 -1.993123 -0.040271
C 2.750848 0.990147 -0.072584
C -3.473365 0.257991 0.041018
C -4.561698 1.332831 0.072092
H 0.230620 1.908628 -0.023300
H -1.779908 -1.942225 -0.002125
H 0.434862 -3.088703 -0.045165
H -2.095505 1.791466 0.014233
H 3.688660 -1.347726 -0.093424
H 2.865569 -2.927474 -0.084728
H -4.491741 1.948903 0.987869
H -5.542060 0.836062 0.056982
H -4.491864 2.006873 -0.801847
H 3.402470 2.834637 -0.077857


