%chk=000115903.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115903

1 1
 O    1.209500      0.7432000      0.4454000    
 O   6.3400000E-02  0.5573000      -1.536200    
 N    4.727000     -0.4729000      0.1743000    
 N  -0.9329000       1.439000      0.3643000    
 C    3.485400      9.4700001E-02  0.8467000    
 C    5.125400      0.4198000     -0.9921000    
 C    5.867100     -0.5313000       1.180900    
 C    4.430600      -1.874900     -0.3383000    
 C    2.361800      0.1800000     -0.1673000    
 C   0.1047000      0.8837000     -0.3546000    
 C   -2.236600       1.716200     -0.1931000    
 C   -3.171100      0.5507000     -4.3200001E-02
 C   -3.234000     -0.4131000      -1.042800    
 C   -3.964300      0.4469000       1.093400    
 C   -4.102100      -1.495900     -0.9038000    
 C   -4.832500     -0.6359000       1.232500    
 C   -4.901400      -1.607400      0.2340000    
 H    3.217700     -0.5550000       1.688600    
 H    3.732800       1.084100       1.250400    
 H    5.142400       1.459300     -0.6515000    
 H    6.126900      0.1202000      -1.318400    
 H    4.436300      0.2820000      -1.828900    
 H    5.560400      -1.172900       2.012300    
 H    6.751000     -0.9450000      0.6864000    
 H    6.068200      0.4846000       1.533700    
 H    3.983800      -2.458500      0.4719000    
 H    3.770200      -1.828900      -1.207400    
 H    5.378600      -2.328900     -0.6452000    
 H    2.618400      0.8269000      -1.010200    
 H    2.078200     -0.8082000     -0.5402000    
 H   -2.129300       1.986300      -1.250400    
 H   -2.634100       2.598600      0.3212000    
 H  -0.7744000       1.652300       1.344500    
 H   -2.619000     -0.3368000      -1.935000    
 H   -3.917500       1.196700       1.878300    
 H   -4.156200      -2.252100      -1.681600    
 H   -5.454600     -0.7229000       2.118500    
 H   -5.577400      -2.450500      0.3422000    


%chk=000115903-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115903

1 1
O 1.277920 0.415668 0.266951
O 0.324502 1.065284 -1.793378
N 4.954114 -0.436159 0.078766
N -0.953168 0.940632 0.189044
C 3.512670 -0.190237 0.584768
C 5.565439 0.852178 -0.474707
C 5.790469 -0.909781 1.270678
C 4.974776 -1.519461 -1.001279
C 2.531027 0.299978 -0.488643
C 0.171302 0.845455 -0.567837
C -2.261051 1.355320 -0.375574
C -3.383694 0.408726 0.029890
C -3.353845 -0.954963 -0.360932
C -4.480315 0.884822 0.788868
C -4.402688 -1.826144 0.003704
C -5.533966 0.014282 1.152681
C -5.496101 -1.343055 0.762199
H 3.154585 -1.143804 1.008632
H 3.580240 0.552965 1.397378
H 5.499362 1.638335 0.292764
H 6.619783 0.663347 -0.728343
H 5.019137 1.161909 -1.376548
H 5.357379 -1.840671 1.667224
H 6.823613 -1.090437 0.937105
H 5.779217 -0.132325 2.049539
H 4.470543 -2.418668 -0.615821
H 4.456345 -1.156664 -1.899869
H 6.021691 -1.753031 -1.248582
H 2.803901 1.283522 -0.912873
H 2.400758 -0.414187 -1.322218
H -2.129230 1.383698 -1.471843
H -2.492164 2.384370 -0.041587
H -0.900163 0.700906 1.180936
H -2.514545 -1.329925 -0.959878
H -4.516913 1.938953 1.091188
H -4.376306 -2.875700 -0.309061
H -6.379777 0.394323 1.735367
H -6.312446 -2.018063 1.040589


