%chk=000156453.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000156453

0 1
 O   0.1297000      0.7414000     -0.8631000    
 O    1.771000      -2.919300      0.5483000    
 O   -6.044600      8.5699998E-02 -0.3144000    
 N    2.906700      -1.240500     -0.6575000    
 C    1.682300     -0.5640000       1.262200    
 C   0.1607000     -0.4207000       1.246500    
 C    2.361700      0.5983000      0.5811000    
 C    2.100300      -1.755500      0.3672000    
 C    3.064300      0.1460000     -0.5368000    
 C    2.210300     -0.7791000       2.680400    
 C  -0.4238000     -0.3786000     -0.1696000    
 C    2.360900       1.942300      0.9180000    
 C    3.781800       1.009600      -1.346900    
 C   -1.929100     -0.2543000     -0.2082000    
 C    3.509900      -2.017400      -1.714300    
 C    3.079700       2.828200      0.1115000    
 C    3.784400       2.365200      -1.012000    
 C   -2.670800      -1.210000     -0.8823000    
 C   -2.537400      0.8131000      0.4314000    
 C   -4.060400      -1.095100     -0.9181000    
 C   -3.927000      0.9281000      0.3958000    
 C   -4.688700     -2.6100000E-02 -0.2790000    
 C   -6.622000       1.202700      0.3598000    
 H  -0.1104000      0.4876000       1.800300    
 H  -0.2958000      -1.261800       1.785800    
 H    3.298400     -0.9161000       2.686300    
 H    1.980600      7.4400000E-02   3.328100    
 H    1.770300      -1.674200       3.134700    
 H  -0.1309000      -1.274100     -0.7282000    
 H    1.818200       2.305500       1.783900    
 H    4.328600      0.6617000      -2.216100    
 H    4.597800      -1.913700      -1.665000    
 H    3.142600      -1.660800      -2.680900    
 H    3.248100      -3.073200      -1.602500    
 H    3.094400       3.887300      0.3545000    
 H    4.336900       3.071100      -1.626200    
 H  -0.3328000      0.8311000      -1.713900    
 H   -2.194400      -2.047300      -1.384000    
 H   -1.959200       1.571700      0.9505000    
 H   -4.648400      -1.841400      -1.445400    
 H   -4.349700       1.784200      0.9105000    
 H   -7.707000       1.133100      0.2300000    
 H   -6.306500       2.150700     -8.9299999E-02
 H   -6.426000       1.168100       1.436800    


%chk=000156453-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000156453

0 1
O 0.033880 0.671116 -1.136901
O 1.714267 -2.873808 0.019079
O -6.285597 -0.048973 0.185974
N 3.098007 -1.133175 -0.792119
C 1.678456 -0.569895 1.051506
C 0.128480 -0.391031 1.037491
C 2.479468 0.636787 0.571246
C 2.127051 -1.680433 0.060570
C 3.318775 0.240309 -0.502766
C 2.116498 -0.995332 2.486080
C -0.554080 -0.430483 -0.344077
C 2.524716 1.956564 1.036052
C 4.203580 1.131860 -1.133351
C -2.069058 -0.294992 -0.225505
C 3.759847 -1.888171 -1.852328
C 3.409220 2.878966 0.414132
C 4.236203 2.467826 -0.656703
C -2.903533 -1.442523 -0.266270
C -2.671378 0.972956 -0.046904
C -4.298631 -1.330412 -0.123374
C -4.071099 1.105861 0.092586
C -4.887018 -0.053315 0.057656
C -6.942242 1.245749 0.376957
H -0.122949 0.565756 1.534051
H -0.317396 -1.203433 1.641206
H 3.215872 -1.058771 2.566357
H 1.760176 -0.256179 3.226528
H 1.686475 -1.982765 2.730812
H -0.318670 -1.404388 -0.824293
H 1.881748 2.282875 1.861848
H 4.845160 0.817614 -1.963273
H 4.853794 -1.920760 -1.693624
H 3.555883 -1.440964 -2.842976
H 3.360616 -2.915395 -1.829042
H 3.450313 3.916090 0.764312
H 4.913764 3.189437 -1.127146
H -0.427728 0.703790 -2.013584
H -2.455127 -2.433461 -0.410535
H -2.034188 1.864537 -0.027561
H -4.950587 -2.208687 -0.153448
H -4.508115 2.100450 0.224868
H -8.014723 1.015010 0.456248
H -6.768103 1.917778 -0.486169
H -6.597328 1.739916 1.306289


