%chk=000128412.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128412

0 1
 O   -2.512400       1.253500       2.361000    
 O   0.1812000     -0.1816000      -1.882600    
 O   -4.226200      0.9618000     -8.1600003E-02
 N   -2.012500       1.358400     -0.7820000    
 C  -0.6864000       1.261400     -0.1923000    
 C  -0.8526000      0.1903000      0.9072000    
 C   -2.336600      0.3289000       1.303000    
 C   0.4496000       1.034600      -1.182400    
 C   -3.015100      0.8986000      7.3700003E-02
 C  -0.4876000      -1.230300      0.5058000    
 C   -2.269600       2.085200      -2.010100    
 C    1.792900       1.018500     -0.5098000    
 C   0.8073000      -1.707100      0.7189000    
 C   -1.446400      -2.061800     -7.6399997E-02
 C    2.820000      0.2514000      -1.046100    
 C    1.994000       1.771100      0.6408000    
 C    1.142200      -3.010300      0.3510000    
 C   -1.111400      -3.365000     -0.4441000    
 C   0.1829000      -3.839100     -0.2303000    
 C    4.067300      0.2365000     -0.4219000    
 C    3.241400       1.756200       1.264800    
 C    4.278100      0.9889000      0.7334000    
 H  -0.5821000       2.242100      0.2886000    
 H  -0.2363000      0.4516000       1.777500    
 H   -2.804800     -0.6097000       1.611900    
 H   0.4712000       1.836200      -1.930700    
 H   -3.343400       2.113900      -2.214400    
 H   -1.764500       1.603600      -2.849300    
 H   -1.903300       3.109100      -1.894400    
 H   -3.460300       1.276100       2.577300    
 H    1.552000      -1.103800       1.226600    
 H   -2.457500      -1.730800     -0.2878000    
 H  -0.7066000     -0.1235000      -2.271200    
 H    2.682300     -0.3343000      -1.950400    
 H    1.240400       2.411600       1.082000    
 H    2.146200      -3.383800      0.5299000    
 H   -1.856300      -4.009100     -0.9023000    
 H   0.4432000      -4.854300     -0.5152000    
 H    4.875200     -0.3592000     -0.8366000    
 H    3.408600       2.347500       2.160500    
 H    5.249800      0.9788000       1.218300    


%chk=000128412-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128412

0 1
O -2.526443 1.305217 2.392492
O 0.130547 0.163155 -2.181089
O -4.348963 0.844765 -0.162425
N -2.112742 1.355660 -0.758735
C -0.767589 1.316860 -0.132585
C -0.915072 0.185050 0.957300
C -2.411714 0.289785 1.326379
C 0.378697 1.203452 -1.178539
C -3.100355 0.829784 0.054359
C -0.516304 -1.226493 0.525853
C -2.410606 2.109716 -1.977704
C 1.769915 1.089470 -0.530837
C 0.685974 -1.794818 1.021833
C -1.328981 -2.013563 -0.339484
C 2.746827 0.251339 -1.122349
C 2.126448 1.846162 0.616558
C 1.071818 -3.106058 0.666585
C -0.941234 -3.325500 -0.698166
C 0.260454 -3.877081 -0.197090
C 4.043148 0.152391 -0.569897
C 3.423050 1.747896 1.169814
C 4.386876 0.896853 0.581678
H -0.610355 2.273000 0.411783
H -0.320260 0.462332 1.843372
H -2.859126 -0.667104 1.651061
H 0.359921 2.131815 -1.783259
H -3.492790 2.017516 -2.168171
H -1.844995 1.696517 -2.829971
H -2.161840 3.182515 -1.855647
H -3.489264 1.501952 2.531527
H 1.326043 -1.199371 1.683176
H -2.270341 -1.612616 -0.731118
H -0.046352 -0.697953 -1.716194
H 2.476828 -0.316624 -2.018021
H 1.403648 2.522868 1.087010
H 2.004682 -3.522927 1.061858
H -1.580048 -3.914906 -1.365230
H 0.557804 -4.894564 -0.473471
H 4.784586 -0.503179 -1.040707
H 3.679864 2.337501 2.057272
H 5.392142 0.821287 1.011080


