%chk=000119051.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000119051

0 1
 O    1.971300     -0.2068000      -1.032400    
 O    4.488900      0.5785000      0.5225000    
 O    1.803200      -3.002300      -1.132700    
 O   0.1815000       3.357400      2.0199999E-02
 O   -3.011700      -1.904500      0.8874000    
 O   -3.884000       1.216900     -0.1754000    
 N   0.1756000       1.032000     -0.1863000    
 N   -1.839100       2.277000     -7.7799998E-02
 C    3.375100     -0.2378000      0.8779000    
 C    1.603100      0.8995000     -0.1966000    
 C    2.180700      0.6359000       1.184400    
 C    2.914100      -1.040200     -0.3307000    
 C    2.203300      -2.332000      5.1399998E-02
 C  -0.5967000     -0.1179000     -0.2891000    
 C  -0.4401000       2.297000     -7.4500002E-02
 C   -1.935400     -0.1335000     -0.2920000    
 C   -2.657100       1.161700     -0.1781000    
 C   -2.747900      -1.383400     -0.4036000    
 C   -3.784700      -3.097400      0.8253000    
 H    2.056400       1.799300     -0.6293000    
 H    3.681500     -0.8649000       1.720500    
 H    1.470100      8.2800001E-02   1.810500    
 H    2.428400       1.568700       1.700600    
 H    3.733100      -1.251700      -1.027000    
 H    1.326400      -2.169400      0.6820000    
 H    2.891100      -2.989100      0.5944000    
 H  -8.3600000E-02  -1.061300     -0.3798000    
 H    4.715000       1.116500       1.300400    
 H   -2.304500       3.176900      1.5000000E-03
 H    1.365600      -3.827000     -0.8609000    
 H   -2.198100      -2.132800     -0.9878000    
 H   -3.688000      -1.192600     -0.9349000    
 H   -4.754300      -2.901600      0.3575000    
 H   -3.954300      -3.450300       1.846000    
 H   -3.247600      -3.873700      0.2718000    


%chk=000119051-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000119051

0 1
O 1.961767 -0.386581 -1.122614
O 4.637147 -0.133680 0.237202
O 0.615902 -2.823355 -0.138654
O 0.415564 3.241012 0.421546
O -2.089038 -2.425746 0.183128
O -3.816553 1.233222 0.628642
N 0.179072 1.038528 -0.362946
N -1.698194 2.209633 0.448470
C 3.306099 -0.272269 0.841809
C 1.684126 0.921672 -0.574980
C 2.467703 1.035461 0.766063
C 2.522331 -1.258361 -0.042728
C 1.441709 -2.027749 0.754790
C -0.648830 -0.029224 -0.663707
C -0.319807 2.241416 0.184357
C -1.987809 -0.060170 -0.340847
C -2.606512 1.115835 0.274588
C -2.787464 -1.317516 -0.535963
C -2.851964 -3.681762 0.134092
H 1.972970 1.681390 -1.317481
H 3.393555 -0.630438 1.888766
H 1.771829 1.108978 1.618476
H 3.098311 1.938290 0.775866
H 3.190186 -1.960632 -0.564141
H 0.829622 -1.326155 1.362164
H 1.977882 -2.699035 1.459375
H -0.135392 -0.872866 -1.135173
H 5.140716 0.573979 0.713653
H -2.092281 3.067336 0.848857
H -0.367634 -2.683929 0.042494
H -2.877448 -1.605367 -1.604201
H -3.799152 -1.178760 -0.108991
H -3.827749 -3.561669 0.643061
H -2.245601 -4.433133 0.662884
H -3.017763 -4.008458 -0.912454


