%chk=000058846.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058846

0 1
 O  -0.7487000     -0.6313000      -1.052500    
 N    3.660600       1.231500       1.404100    
 N    1.615600      0.1966000      -2.427700    
 C  -0.4854000      -1.233600      0.2191000    
 C   -1.690900      -1.184500       1.166600    
 C   -2.232300      0.2371000       1.317900    
 C   -2.247500      0.9519000     -1.0000000E-03
 C  -7.7600002E-02  -2.683700     -4.3800000E-02
 C   0.7108000     -0.5364000      0.8154000    
 C   -1.556500      0.4743000      -1.046600    
 C   -3.071400       2.199300     -8.8500001E-02
 C    1.695900      0.1018000      0.1573000    
 C    2.777300      0.7236000      0.8482000    
 C    1.650100      0.1532000      -1.268500    
 H   -1.453300      -1.602100       2.152800    
 H   -2.496100      -1.805100      0.7485000    
 H   -1.619600      0.8052000       2.028100    
 H   -3.245100      0.1845000       1.734400    
 H   0.1880000      -3.209800      0.8802000    
 H  -0.8984000      -3.230800     -0.5229000    
 H   0.7712000      -2.750800     -0.7349000    
 H   0.7893000     -0.5959000       1.902000    
 H   -1.567500      0.9293000      -2.028100    
 H   -2.721500       2.936400      0.6413000    
 H   -4.123000       1.976600      0.1184000    
 H   -3.015900       2.659400      -1.080700    


%chk=000058846-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000058846

0 1
O -0.848762 -0.815801 -1.098595
N 3.641275 1.198250 1.516946
N 1.662388 0.858247 -2.389114
C -0.496312 -1.347968 0.238628
C -1.707892 -1.203572 1.202033
C -2.147551 0.272498 1.330182
C -2.234706 0.935593 -0.036251
C -0.127292 -2.827571 -0.011164
C 0.711009 -0.624420 0.809176
C -1.629750 0.368526 -1.113544
C -3.012001 2.227588 -0.160810
C 1.620127 0.172928 0.157729
C 2.727898 0.735052 0.900224
C 1.591873 0.517969 -1.245418
H -1.451235 -1.631750 2.189044
H -2.534099 -1.805292 0.780145
H -1.448116 0.834340 1.985840
H -3.134646 0.321644 1.830431
H 0.232739 -3.312537 0.913137
H -1.020321 -3.366085 -0.371904
H 0.658826 -2.896810 -0.781179
H 0.886895 -0.800613 1.880456
H -1.671902 0.765864 -2.130926
H -2.598137 3.008716 0.507891
H -4.073068 2.088155 0.127186
H -2.989141 2.623748 -1.191042


