%chk=000168836.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168836

0 1
 O    1.887400      -2.036000      -1.556000    
 O   -2.658400      0.4299000      -1.715800    
 O   -3.887200       1.003900      0.7107000    
 N    1.361300      -2.547400      0.6485000    
 C    1.809900       3.142300      0.8404000    
 C    2.924300       2.260200      0.2675000    
 C   0.4249000       2.846200      0.2336000    
 C    2.678000      0.7620000      0.4751000    
 C    3.776100     -0.1219000     -0.1191000    
 C    3.519300      -1.598500      0.1770000    
 C   0.4598000       3.080900      -1.278700    
 C  -0.6809000       3.694800      0.8627000    
 C    2.183000      -2.075000     -0.3646000    
 C   3.2200001E-02  -3.058900      0.4060000    
 C   -1.008000      -1.979000      0.4833000    
 C   -1.358000      -1.264100     -0.6621000    
 C   -1.624700      -1.690900       1.700900    
 C   -2.324900     -0.2612000     -0.5902000    
 C   -2.591200     -0.6878000       1.772900    
 C   -2.941500      2.7000001E-02  0.6274000    
 C   -1.981400      7.3600002E-02  -2.919400    
 H    1.763400       2.995700       1.926900    
 H    2.071300       4.195400      0.6783000    
 H    3.863900       2.533000      0.7646000    
 H    3.077100       2.472700     -0.7962000    
 H   0.1492000       1.803000      0.4197000    
 H    1.728600      0.4823000      1.0100000E-02
 H    2.583500      0.5595000       1.549000    
 H    4.750800      0.1637000      0.2929000    
 H    3.822400      3.7000000E-02  -1.203200    
 H    3.594800      -1.774000       1.256000    
 H    4.297900      -2.209500     -0.2947000    
 H    1.091900       2.348500      -1.789300    
 H  -0.5440000       2.980200      -1.706800    
 H   0.8259000       4.084400      -1.520400    
 H   -1.657600       3.446000      0.4342000    
 H  -0.7344000       3.519000       1.942200    
 H  -0.5004000       4.763000      0.7019000    
 H    1.680700      -2.519500       1.612100    
 H   2.6000000E-03  -3.550200     -0.5738000    
 H  -0.1633000      -3.834600       1.155000    
 H  -0.8491000      -1.533000      -1.581200    
 H   -1.359100      -2.239400       2.600600    
 H   -3.063100     -0.4730000       2.727900    
 H   -4.199700       1.064700       1.629800    
 H   -2.367700      0.7247000      -3.710600    
 H   -2.204200     -0.9562000      -3.218800    
 H  -0.9050000      0.2651000      -2.849100    


%chk=000168836-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168836

0 1
O 1.857222 -2.505924 -1.423098
O -2.277771 0.554790 -1.762237
O -3.750583 1.158135 0.393259
N 1.425819 -2.659179 0.858121
C 1.778325 3.126466 0.650648
C 2.785144 2.180881 -0.052937
C 0.284465 2.915982 0.275363
C 2.656265 0.700446 0.376459
C 3.664041 -0.225074 -0.341570
C 3.586327 -1.704128 0.126841
C -0.004236 3.295981 -1.197390
C -0.634970 3.723000 1.222659
C 2.230291 -2.325124 -0.219624
C 0.047163 -3.174911 0.684295
C -1.001339 -2.068167 0.632575
C -1.145327 -1.306586 -0.558410
C -1.806438 -1.760918 1.749636
C -2.068632 -0.242215 -0.633580
C -2.731781 -0.690930 1.686504
C -2.864272 0.074949 0.510910
C -1.493548 0.228546 -2.958660
H 1.890485 3.006112 1.749381
H 2.047455 4.180002 0.423714
H 3.816912 2.525627 0.167514
H 2.667940 2.253765 -1.153308
H 0.035076 1.842869 0.405825
H 1.627350 0.342506 0.177355
H 2.804979 0.630971 1.475849
H 4.695149 0.146071 -0.174926
H 3.483415 -0.196838 -1.433639
H 3.791492 -1.767747 1.213912
H 4.362295 -2.293370 -0.396150
H 0.631525 2.728602 -1.902968
H -1.058855 3.085578 -1.451548
H 0.186799 4.374477 -1.363771
H -1.699170 3.550662 0.975654
H -0.474433 3.435008 2.279322
H -0.434698 4.809122 1.133917
H 1.729369 -2.394394 1.796621
H 0.051033 -3.746171 -0.260418
H -0.165894 -3.871225 1.515247
H -0.510023 -1.560962 -1.412763
H -1.719156 -2.348175 2.671268
H -3.354909 -0.451100 2.558461
H -4.252737 1.277950 1.238018
H -1.813268 0.959848 -3.714975
H -1.709994 -0.798469 -3.310410
H -0.407904 0.331864 -2.769747


