%chk=000112677.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112677

0 1
 O   -1.814500      -3.679500      0.3050000    
 N   -1.138500      -1.427000     -1.4000000E-02
 N    6.012500     -0.5557000      0.2192000    
 N    2.826500       2.518900     -0.3167000    
 C   -1.661900     -7.3799998E-02 -0.2075000    
 C   -2.443200       1.946900      0.7207000    
 C   -1.944500      0.6575000      0.9063000    
 C   -1.829200      0.3578000      -1.488400    
 C   -2.634700       2.441700     -0.5694000    
 C   -2.327700       1.647300      -1.673800    
 C   -2.771000       2.797000       1.901800    
 C   -2.083900      -2.490100      0.1097000    
 C   0.2023000      -1.645300      7.7200003E-02
 C   -3.541600      -2.112600     -5.5799998E-02
 C    1.102000     -0.6567000     -2.7000001E-03
 C    2.531100     -0.8875000      9.4300002E-02
 C    3.502200      4.3200001E-02  2.4900001E-02
 C    4.885800     -0.2909000      0.1326000    
 C    3.128200       1.408800     -0.1634000    
 H   -1.789800      0.2621000       1.905400    
 H   -1.590700     -0.2602000      -2.347500    
 H   -3.020600       3.445400     -0.7269000    
 H   -2.476400       2.032600      -2.678300    
 H   -3.097700       2.185300       2.749600    
 H   -1.892000       3.374900       2.203800    
 H   -3.586900       3.491500       1.674900    
 H   0.5123000      -2.675200      0.2237000    
 H   -4.155900      -3.014000      4.2900000E-02
 H   -3.727100      -1.696200      -1.048600    
 H   -3.856800      -1.416200      0.7245000    
 H   0.7956000      0.3729000     -0.1469000    
 H    2.826100      -1.927200      0.2379000    


%chk=000112677-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000112677

0 1
O -1.556838 -3.720037 0.216105
N -1.189122 -1.422085 -0.040293
N 6.085621 -0.737594 0.284072
N 3.065037 2.578357 -0.245431
C -1.727516 -0.081167 -0.233252
C -2.510830 2.039041 0.730298
C -2.001230 0.725789 0.893123
C -1.943330 0.400021 -1.543393
C -2.741037 2.511673 -0.588798
C -2.457154 1.704763 -1.713473
C -2.771453 2.926412 1.933756
C -2.052151 -2.574992 0.051871
C 0.189152 -1.612673 0.059432
C -3.540716 -2.311368 -0.056220
C 1.140015 -0.613266 -0.007255
C 2.535278 -0.924008 0.106859
C 3.571037 0.010457 0.060445
C 4.941935 -0.397301 0.182367
C 3.308371 1.413857 -0.107259
H -1.806924 0.330100 1.897150
H -1.706591 -0.232358 -2.405700
H -3.136515 3.523722 -0.734148
H -2.631783 2.092687 -2.722547
H -3.044996 2.336658 2.825910
H -1.868031 3.512128 2.191283
H -3.583641 3.647285 1.736362
H 0.464076 -2.664906 0.200498
H -4.066602 -3.270836 0.052351
H -3.801591 -1.858789 -1.029092
H -3.885535 -1.612136 0.725922
H 0.843030 0.432652 -0.148300
H 2.820038 -1.976388 0.241856


