%chk=000017084.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017084

0 1
 O    2.695900     -0.7759000      0.6318000    
 O  -0.7713000     -0.7055000      -1.903700    
 N   -1.600600      0.2027000      8.4299996E-02
 N    2.884500      0.4998000      0.1140000    
 C   -2.986600      0.1711000     -0.3612000    
 C   -1.380100      0.7301000       1.429200    
 C   0.7997000     -0.2008000     -0.3040000    
 C  -0.5946000     -0.2589000     -0.7708000    
 C    1.427800      -1.183200      0.3688000    
 C    1.715700      0.8212000     -0.4477000    
 C   -3.656500      -1.137800      2.2000000E-03
 C   -1.153400       2.227600       1.407600    
 C    1.061300      -2.521400      0.8521000    
 C    1.558300       2.131000      -1.102600    
 H   -3.530000       1.018300      7.1099997E-02
 H   -3.013800      0.2923000      -1.450100    
 H   -2.245900      0.4860000       2.054900    
 H  -0.5160000      0.2403000       1.886500    
 H   -3.133100      -1.988000     -0.4477000    
 H   -3.667700      -1.291400       1.086100    
 H   -4.691400      -1.147900     -0.3534000    
 H  -0.2569000       2.502300      0.8534000    
 H   -1.999000       2.750900      0.9495000    
 H   -1.039000       2.604200       2.429200    
 H    1.121100      -2.563300       1.944100    
 H   4.1000001E-02  -2.788000      0.5598000    
 H    1.738000      -3.277100      0.4415000    
 H   0.5389000       2.285100      -1.469900    
 H    1.794200       2.944700     -0.4090000    
 H    2.233500       2.211300      -1.961200    


%chk=000017084-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000017084

0 1
O 2.810032 -0.803842 0.566958
O -0.796759 0.094630 -2.006814
N -1.591440 0.204746 0.181500
N 3.144193 0.360634 -0.279342
C -2.986348 0.199666 -0.332381
C -1.403350 0.504545 1.621371
C 0.847368 -0.014347 -0.263389
C -0.562402 0.103356 -0.751160
C 1.423711 -0.990745 0.539306
C 1.954347 0.781330 -0.762197
C -3.570958 -1.226650 -0.403631
C -1.540965 2.009429 1.944620
C 0.893088 -2.168033 1.292366
C 1.892774 1.946230 -1.707245
H -3.598968 0.838498 0.329196
H -2.977228 0.649020 -1.339894
H -2.150512 -0.078013 2.194408
H -0.407336 0.158213 1.935604
H -2.982935 -1.844874 -1.103225
H -3.567730 -1.715023 0.588362
H -4.614808 -1.195438 -0.766103
H -0.760280 2.590936 1.423219
H -2.526376 2.405004 1.639692
H -1.429294 2.177004 3.031576
H 1.048088 -2.056842 2.381633
H -0.185285 -2.286212 1.098988
H 1.408405 -3.093008 0.978845
H 1.337718 2.790913 -1.259305
H 2.908770 2.287637 -1.961700
H 1.358479 1.650938 -2.626461


