%chk=000062228.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000062228

0 1
 O    3.577000       2.336100      0.5212000    
 O    2.115800      -3.011700      0.7825000    
 N   0.5568000      -1.829600     -9.9999997E-05
 N    1.769400      -2.310600     -0.1758000    
 N   -2.591200      0.6930000       1.481300    
 C   0.3634000     -0.4781000     -0.5434000    
 C    1.502100      0.4359000     -3.5700001E-02
 C   -1.021500      3.8899999E-02 -0.2009000    
 C    1.493600       1.845800     -0.6318000    
 C   -1.919800      0.3132000      -1.205400    
 C  -0.4721000      -2.724400     -0.5389000    
 C   -1.375600      0.2337000       1.108500    
 C    2.647500       2.712400     -0.1842000    
 C   -3.180900      0.7872000     -0.8614000    
 C   -3.464600      0.9582000      0.4840000    
 H   0.4611000     -0.5162000      -1.640000    
 H    1.481700      0.5143000       1.059900    
 H    2.483800      1.2600000E-02 -0.2856000    
 H    1.531200       1.794300      -1.725400    
 H   0.5765000       2.373900     -0.3500000    
 H   -1.669000      0.1692000      -2.251700    
 H  -0.3113000      -3.756400     -0.1976000    
 H  -0.4789000      -2.743300      -1.636500    
 H   -1.477200      -2.472300     -0.1849000    
 H  -0.7024000      2.6900001E-02   1.933300    
 H    2.618300       3.750600     -0.5580000    
 H   -3.918500       1.015500      -1.622200    
 H   -4.433900       1.325400      0.8048000    


%chk=000062228-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000062228

0 1
O 3.546019 2.454723 0.365515
O 1.469521 -3.301639 1.339657
N 0.554931 -1.874568 -0.150819
N 1.376137 -2.080519 0.954484
N -2.622519 0.516858 1.598720
C 0.374726 -0.469573 -0.601413
C 1.525467 0.449136 -0.108499
C -1.008179 0.055624 -0.194959
C 1.444990 1.839566 -0.762075
C -1.909623 0.586176 -1.147781
C -0.188655 -2.961730 -0.809753
C -1.419222 0.040821 1.164511
C 2.592195 2.763684 -0.385703
C -3.161281 1.082734 -0.718987
C -3.472217 1.031061 0.658691
H 0.414567 -0.496461 -1.711637
H 1.500614 0.546654 0.988970
H 2.495016 -0.022012 -0.347564
H 1.437346 1.770805 -1.873102
H 0.500902 2.363572 -0.500967
H -1.637937 0.607939 -2.210731
H 0.040082 -3.893077 -0.265287
H 0.127368 -3.063949 -1.864101
H -1.275380 -2.766902 -0.772907
H -0.764342 -0.375689 1.939643
H 2.531888 3.786291 -0.842837
H -3.881357 1.497686 -1.431140
H -4.429756 1.407289 1.036071


