%chk=000098047.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000098047

0 1
 O    1.885400     -0.2205000      0.2547000    
 O   -3.496500      0.5993000     -0.4683000    
 O   0.5580000       1.577400     -0.3303000    
 N   -1.546000      0.5308000      0.8252000    
 C  -0.3577000     -0.2706000      0.9059000    
 C  -0.7371000      -1.552800      0.1895000    
 C   -1.818500      -1.125200     -0.8024000    
 C   -2.432100      9.0499997E-02 -0.1520000    
 C   0.7218000      0.4882000      0.2026000    
 C    3.008700      0.3937000     -0.3847000    
 C    4.213900     -0.5108000     -0.2401000    
 H  -9.0300001E-02 -0.4155000       1.956300    
 H   -1.174900      -2.256400      0.9090000    
 H   9.5100001E-02  -2.060900     -0.3067000    
 H   -2.565000      -1.908800     -0.9522000    
 H   -1.385300     -0.8296000      -1.763100    
 H   -1.709500       1.357600       1.391400    
 H    2.785700      0.5464000      -1.446500    
 H    3.213200       1.361400      8.6900003E-02
 H    5.093000     -7.0900001E-02 -0.7193000    
 H    4.438500     -0.6875000      0.8170000    
 H    4.017600      -1.489100     -0.6912000    


%chk=000098047-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000098047

0 1
O 1.944284 -0.188815 0.247064
O -3.689927 0.604168 -0.309494
O 0.658992 1.641900 -0.420553
N -1.634051 0.505448 0.844624
C -0.377921 -0.240399 0.847916
C -0.763351 -1.569644 0.102112
C -1.981301 -1.180379 -0.769643
C -2.577013 0.064086 -0.084566
C 0.756610 0.532083 0.145856
C 3.154816 0.434909 -0.381630
C 4.311732 -0.534202 -0.166904
H -0.028159 -0.464911 1.872357
H -1.056051 -2.322118 0.853930
H 0.088395 -1.970883 -0.467813
H -2.743554 -1.971703 -0.843871
H -1.693237 -0.896061 -1.798648
H -1.743009 1.408467 1.307854
H 2.935578 0.609369 -1.450313
H 3.323724 1.414713 0.100250
H 5.233493 -0.118691 -0.613079
H 4.492475 -0.702282 0.908429
H 4.105476 -1.508356 -0.642179


