%chk=000169716.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000169716

0 1
 O   -1.150600     -0.4624000     -0.5431000    
 O   -2.692400       1.922400       1.637900    
 O  -0.3035000       2.959900     -5.6699999E-02
 O   -3.518200      -1.971400     -0.2542000    
 O    2.280600       1.489900      -1.635100    
 N    1.112300      5.1399998E-02 -0.2599000    
 N    3.515700     -1.2500000E-02 -0.4651000    
 N    4.775100      -1.555700      0.7351000    
 C   -2.118100       1.448800      0.4353000    
 C  -0.6208000       1.657700      0.4006000    
 C   -2.209500     -6.3699998E-02  0.3419000    
 C  -0.1759000      0.5922000     -0.5888000    
 C   -3.540900     -0.5543000     -0.1973000    
 C    1.182500     -0.9993000      0.6418000    
 C    2.307800      0.5581000     -0.8292000    
 C    2.333700      -1.562300       1.003700    
 C    3.564500      -1.002700      0.3869000    
 C   -4.742300      -2.496000     -0.7535000    
 H   -2.613200       1.944300     -0.4085000    
 H  -0.1794000       1.533900       1.396400    
 H   -2.021200     -0.5356000       1.314900    
 H  -0.1532000      0.9796000      -1.614200    
 H   -3.703100     -0.1656000      -1.209900    
 H   -4.359300     -0.2218000      0.4512000    
 H   -2.501000       2.874000       1.696400    
 H  -0.7014000       3.082800     -0.9353000    
 H   0.2621000      -1.360900       1.083400    
 H    2.396900      -2.376500       1.713300    
 H   -5.574200      -2.215300     -0.1004000    
 H   -4.666300      -3.586400     -0.7731000    
 H   -4.924900      -2.140000      -1.772000    
 H    5.640600      -1.205600      0.3385000    
 H    4.845900      -2.324900       1.393000    


%chk=000169716-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000169716

0 1
O -1.205820 -0.413430 -0.768129
O -2.825339 2.058962 1.390960
O -0.394967 3.083678 -0.414658
O -3.628648 -1.989824 0.134877
O 2.115209 2.094064 -0.478288
N 1.119967 -0.010486 -0.235999
N 3.468784 0.316627 0.241157
N 4.777939 -1.455797 0.964853
C -2.179215 1.532157 0.197131
C -0.660717 1.777730 0.139048
C -2.274274 -0.003139 0.205622
C -0.152852 0.599175 -0.750465
C -3.602819 -0.576394 -0.245457
C 1.208320 -1.344999 0.085146
C 2.274383 0.866441 -0.164368
C 2.409022 -1.889259 0.505572
C 3.544560 -0.997603 0.566974
C -4.865347 -2.647345 -0.280613
H -2.628559 1.952630 -0.728132
H -0.240200 1.667997 1.162771
H -2.029410 -0.389338 1.215095
H 0.032214 0.948798 -1.782937
H -3.712055 -0.459919 -1.345968
H -4.421827 -0.021578 0.264175
H -2.697757 3.041312 1.400971
H 0.605687 3.111003 -0.524975
H 0.283693 -1.917628 -0.024130
H 2.479595 -2.947205 0.764198
H -5.755842 -2.170993 0.183185
H -4.790489 -3.691364 0.061407
H -4.985095 -2.629392 -1.384888
H 5.548010 -0.788831 0.987817
H 4.932147 -2.423952 1.232051


