%chk=000001021.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001021

0 1
 O    1.373900      -3.479200      0.5470000    
 O   -4.664800      0.6043000       1.292400    
 O    1.462600      -2.197800      -1.326900    
 O   -4.273100     -0.6493000     -0.5584000    
 N    1.595400       2.062800     -0.8572000    
 N    3.596100       1.511700       1.675000    
 C   0.9440000      0.1432000      4.9800001E-02
 C  -0.1383000      0.7382000     -0.6118000    
 C    2.017700      0.9895000     -0.1171000    
 C   -1.530000      0.1784000     -0.7034000    
 C   0.2683000       1.914300      -1.165500    
 C   0.9490000      -1.137600      0.7869000    
 C    3.412500      0.8913000      0.3544000    
 C   -2.448800      0.6248000      0.4377000    
 C    1.300300      -2.298600     -0.1173000    
 C   -3.864700      0.1038000      0.3143000    
 H   -1.972400      0.4820000      -1.662000    
 H   -1.489500     -0.9176000     -0.7373000    
 H  -0.2495000       2.663800      -1.747700    
 H  -3.3100002E-02  -1.335200       1.229400    
 H    1.680700      -1.107300       1.602000    
 H    2.171100       2.846200      -1.134300    
 H    3.727100     -0.1570000      0.4069000    
 H    4.087200       1.383500     -0.3558000    
 H   -2.045900      0.2797000       1.396800    
 H   -2.496500       1.720300      0.4599000    
 H    4.572800       1.419100       1.952100    
 H    3.057200      0.9944000       2.369100    
 H    1.582300      -4.225200     -5.4800000E-02
 H   -5.587400      0.2813000       1.210400    


%chk=000001021-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000001021

0 1
O 0.571778 -3.065358 -0.712840
O -4.679358 0.047525 1.468265
O 2.724320 -2.547922 -0.007590
O -4.478297 -0.318922 -0.814752
N 1.654252 1.999800 -0.585416
N 4.038413 2.069077 0.837482
C 0.858488 0.060620 0.241588
C -0.195326 0.698389 -0.523953
C 1.993806 0.888568 0.176131
C -1.601926 0.186326 -0.732068
C 0.331447 1.903488 -1.013172
C 0.794294 -1.295359 0.920182
C 3.405516 0.733779 0.685446
C -2.516328 0.463081 0.488233
C 1.491326 -2.342130 0.062061
C -3.948643 0.021401 0.265732
H -2.053082 0.656844 -1.623886
H -1.591225 -0.901353 -0.934947
H -0.136853 2.676680 -1.618427
H -0.250798 -1.604127 1.081675
H 1.311191 -1.274357 1.896813
H 2.328991 2.753542 -0.731988
H 3.394755 0.120537 1.614293
H 4.007620 0.155801 -0.042678
H -2.135526 -0.025584 1.403835
H -2.528062 1.547364 0.715773
H 5.061016 2.050404 0.788771
H 3.707551 2.589291 1.657508
H 1.063786 -3.693923 -1.308828
H -5.618925 -0.225683 1.281358