%chk=000047751.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047751

0 1
 O   -1.355200     -0.4015000      0.9629000    
 O  -0.9408000      0.2209000      -1.942600    
 O   -3.196400       2.020900      0.2176000    
 O   -2.947200      -2.673700      0.7099000    
 O    1.656300       2.320600      0.6977000    
 N   0.7796000      0.2438000      0.2421000    
 N    3.125900      0.6513000      0.2145000    
 N    2.289200      -1.500400     -0.2612000    
 N    4.605200      -1.067200     -0.2805000    
 C   -1.269700       1.093200     -0.8678000    
 C   -2.726700      0.8879000     -0.5096000    
 C   -2.695600     -0.3133000      0.4371000    
 C  -0.5760000      0.6714000      0.4181000    
 C   -3.014200      -1.633500     -0.2503000    
 C    1.849200       1.140800      0.4016000    
 C    1.091300      -1.058900     -8.9900002E-02
 C    3.325100     -0.6024000     -9.9600002E-02
 H   -1.010000       2.117700      -1.151800    
 H   -3.387400      0.7386000      -1.368400    
 H  -0.6071000       1.488600       1.148700    
 H   -3.363000     -0.1776000       1.296400    
 H   -2.289200      -1.864400      -1.036100    
 H   -4.020200      -1.616800     -0.6808000    
 H   -1.453500      0.5072000      -2.717700    
 H   -2.696800       2.095900       1.047300    
 H   0.2337000      -1.734400     -0.2180000    
 H   -3.158400      -3.503400      0.2489000    
 H    4.783500      -2.035200     -0.5245000    
 H    5.406700     -0.4549000     -0.1754000    


%chk=000047751-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047751

0 1
O -1.560518 0.029974 1.322481
O -1.040917 0.976295 -1.931555
O -3.727239 1.862014 0.404877
O -1.941964 -2.678896 0.398539
O 1.326766 2.066811 -0.973658
N 0.594270 0.189148 0.227097
N 2.830769 0.278833 -0.674071
N 1.988277 -1.733235 0.473567
N 4.175092 -1.600349 -0.341535
C -1.489427 1.473648 -0.642493
C -2.923356 0.925027 -0.383646
C -2.672770 -0.380550 0.394126
C -0.667015 0.924225 0.590442
C -2.305851 -1.569407 -0.497571
C 1.619394 0.916286 -0.518233
C 0.832784 -1.094654 0.666152
C 2.971045 -0.977373 -0.187407
H -1.494103 2.577243 -0.616750
H -3.463701 0.798133 -1.332369
H -0.375114 1.738325 1.276089
H -3.508000 -0.646447 1.061524
H -1.480227 -1.303259 -1.186203
H -3.201153 -1.825426 -1.103186
H -0.196117 1.465202 -2.140253
H -3.377007 1.877376 1.333966
H 0.010147 -1.600897 1.180780
H -1.712591 -3.476261 -0.141140
H 4.295771 -2.543463 0.020533
H 4.931054 -1.107121 -0.811504


