%chk=000128597.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128597

0 1
 O    3.160700      -1.922100     -0.2642000    
 O   -3.633700     -0.8647000       1.490000    
 O    3.927900     -0.1770000      -1.491200    
 O   -3.211700      -1.647000     -0.6011000    
 N   -1.673400      0.8998000     -0.5469000    
 N    3.607200       1.587300      0.5454000    
 C   0.6864000      0.6211000      6.0899999E-02
 C    1.652800      0.1618000       1.161900    
 C  -0.7673000      0.4679000      0.5108000    
 C    3.141200      0.2219000      0.7854000    
 C   -3.061700      0.7494000     -0.1346000    
 C   -3.983500       1.221400      -1.251000    
 C    3.458200     -0.6082000     -0.4460000    
 C   -3.303000     -0.7115000      0.1806000    
 H   0.8479000      3.1399999E-02 -0.8495000    
 H   0.8820000       1.669900     -0.1919000    
 H    1.487900      0.7700000       2.061000    
 H    1.402000     -0.8699000       1.440900    
 H  -0.9304000       1.064600       1.416700    
 H  -0.9185000     -0.5857000      0.7698000    
 H    3.734700     -0.1840000       1.613100    
 H   -1.485800       1.873200     -0.7855000    
 H   -3.261700       1.359900      0.7551000    
 H   -5.032600       1.085800     -0.9654000    
 H   -3.828000       2.283200      -1.471100    
 H   -3.823600      0.6546000      -2.175600    
 H    3.137200       1.982500     -0.2677000    
 H    4.602800       1.579600      0.3268000    
 H    3.365900      -2.456600      -1.060700    
 H   -3.788300      -1.805700       1.719900    


%chk=000128597-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128597

0 1
O 3.624872 -1.971374 0.022819
O -4.822724 -0.850234 0.697308
O 3.698582 -0.411044 -1.696954
O -2.864345 -1.830910 -0.069673
N -1.671177 0.762928 -0.370066
N 3.588962 1.739883 0.235246
C 0.758114 0.558400 0.088651
C 1.827516 0.206478 1.144661
C -0.667963 0.390015 0.647164
C 3.295330 0.360304 0.642386
C -3.080702 0.669924 0.013286
C -3.971916 1.359263 -1.050534
C 3.563877 -0.663704 -0.479410
C -3.513423 -0.795620 0.176945
H 0.858115 -0.082170 -0.808159
H 0.897841 1.609658 -0.240109
H 1.724148 0.878373 2.017051
H 1.681807 -0.833257 1.495006
H -0.769547 0.990290 1.588319
H -0.829236 -0.670606 0.915686
H 3.955405 0.093167 1.487988
H -1.459685 1.658760 -0.825536
H -3.299608 1.147064 1.003379
H -5.036721 1.271734 -0.783860
H -3.714454 2.432738 -1.114532
H -3.804915 0.899911 -2.040244
H 3.160257 1.989433 -0.663262
H 4.590336 1.959300 0.229313
H 3.761513 -2.612112 -0.727549
H -5.088659 -1.803692 0.800581


