%chk=000097926.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097926

0 1
 O    2.932200      0.2064000     -8.7700002E-02
 O    2.251300      -1.966600      0.2517000    
 N   -1.730100     -0.7506000      0.3188000    
 N   0.2690000       2.354800     -0.2222000    
 C   -4.199000      0.5877000     -0.3049000    
 C   -3.156700       1.218100      0.6169000    
 C   -3.539800     -0.3770000      -1.288900    
 C   -2.313200      0.1520000       1.313100    
 C   -2.690600      -1.417800     -0.5615000    
 C  -0.3938000      -1.023700      0.2782000    
 C   0.6400000     -0.1844000      0.1027000    
 C    2.009300     -0.7770000      0.1031000    
 C   0.4349000       1.215500     -7.6899998E-02
 C    4.298200     -0.2211000     -0.1116000    
 C    5.188300      0.9837000     -0.3308000    
 H   -4.941700      4.8300002E-02  0.2957000    
 H   -4.734400       1.370900     -0.8527000    
 H   -2.514500       1.880100      2.5900001E-02
 H   -3.655800       1.842000       1.366800    
 H   -4.306800     -0.8771000      -1.890400    
 H   -2.906000      0.1923000      -1.980500    
 H   -1.545100      0.6340000       1.929300    
 H   -2.940700     -0.4309000       1.999000    
 H   -3.329500      -2.081100      3.4100000E-02
 H   -2.177200      -2.043700      -1.301600    
 H  -0.2315000      -2.097600      0.3109000    
 H    4.548300     -0.6975000      0.8429000    
 H    4.441400     -0.9402000     -0.9258000    
 H    6.242100      0.6925000     -0.3546000    
 H    4.937500       1.481600      -1.273300    
 H    5.042700       1.720300      0.4662000    


%chk=000097926-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097926

0 1
O 3.099924 0.252359 0.054961
O 2.107720 -1.659009 -0.852907
N -1.725964 -0.514598 0.246285
N 0.813823 2.369899 1.456926
C -4.469731 0.333756 -0.352187
C -3.385294 1.342166 0.093490
C -3.823939 -0.877116 -1.065659
C -2.305878 0.653100 0.960350
C -2.737920 -1.521182 -0.173813
C -0.411143 -0.715764 -0.029712
C 0.736703 0.044875 0.234196
C 2.003683 -0.555828 -0.246385
C 0.772850 1.306726 0.900957
C 4.431436 -0.261842 -0.382717
C 5.461987 0.772745 0.058233
H -5.030980 -0.020872 0.537151
H -5.202506 0.824850 -1.018433
H -2.901549 1.794451 -0.793595
H -3.833122 2.166937 0.678454
H -4.586629 -1.641020 -1.308940
H -3.364779 -0.551391 -2.018982
H -1.509029 1.358836 1.230327
H -2.764875 0.281986 1.900636
H -3.211319 -1.943146 0.737841
H -2.225329 -2.343413 -0.701410
H -0.192832 -1.651877 -0.562739
H 4.594958 -1.250572 0.083772
H 4.409955 -0.399339 -1.479336
H 6.474399 0.444712 -0.241353
H 5.258979 1.752164 -0.407369
H 5.445202 0.901307 1.153855


