%chk=000178248.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178248

-1 1
 O    1.146500       2.083900     -0.2875000    
 O   0.7517000      -2.451400      0.3644000    
 N   0.4700000     -0.1667000      3.4299999E-02
 N    2.628500      0.3029000     -5.0700001E-02
 N    2.523900      -1.041600      0.1115000    
 C  -0.9536000     -1.7999999E-02  1.0700000E-02
 C    1.367200      0.8944000     -0.1057000    
 C    1.244500      -1.323300      0.1710000    
 C   -1.754200      -1.048400     -0.4825000    
 C   -1.540300       1.156700      0.4813000    
 C    3.912700      0.9437000     -0.1651000    
 C   -3.141300     -0.9039000     -0.5053000    
 C   -2.927600       1.301100      0.4586000    
 C   -3.728000      0.2706000     -3.4800000E-02
 H   -1.346400      -1.956400     -0.9129000    
 H  -0.9541000       1.966000      0.9050000    
 H    3.787600       2.023200     -0.2810000    
 H    4.432500      0.5406000      -1.038300    
 H    4.493200      0.7373000      0.7380000    
 H   -3.764600      -1.700500     -0.9012000    
 H   -3.385500       2.212500      0.8318000    
 H   -4.808100      0.3836000     -5.3700000E-02


%chk=000178248-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178248

-1 1
O 1.207131 2.180495 0.244117
O 0.681183 -2.559022 -0.465768
N 0.472738 -0.138229 -0.095055
N 2.636086 0.298485 -0.059179
N 2.577379 -1.122388 -0.276241
C -0.938841 0.000947 -0.047740
C 1.412635 0.925893 0.050779
C 1.241005 -1.416932 -0.299528
C -1.780743 -1.140251 -0.215664
C -1.545110 1.276659 0.166901
C 3.922802 0.953629 0.015615
C -3.182785 -0.996358 -0.167479
C -2.950004 1.395075 0.211009
C -3.786603 0.265932 0.045339
H -1.298495 -2.108654 -0.378938
H -0.894378 2.146151 0.293855
H 3.745816 2.027981 0.191028
H 4.487893 0.817620 -0.927163
H 4.527976 0.534271 0.842696
H -3.809827 -1.888103 -0.299021
H -3.392628 2.386168 0.377388
H -4.878631 0.366930 0.080949


