%chk=000139040.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000139040

0 1
 O    2.695200       1.038000     -0.2402000    
 O    2.079900      -1.622300      0.2773000    
 O   -2.851200      -1.810600      0.3872000    
 O   -3.535400      0.2407000      9.1000004E-03
 N   -2.617800     -0.6010000      0.1543000    
 C  -0.9577000       1.166200     -0.2068000    
 C   -1.266600     -0.1692000      5.2099999E-02
 C    1.397900      0.6339000     -0.1426000    
 C    1.089200     -0.7016000      0.1163000    
 C   0.3745000       1.567800     -0.3041000    
 C  -0.2432000      -1.103200      0.2136000    
 C   -2.030600       2.191900     -0.3835000    
 C    3.332300       1.467800      0.9613000    
 C    2.533400      -2.298400     -0.8940000    
 H   0.6276000       2.605800     -0.5062000    
 H  -0.4501000      -2.151300      0.4175000    
 H   -2.652300       1.988500      -1.261700    
 H   -2.623700       2.326700      0.5270000    
 H   -1.585600       3.177000     -0.5769000    
 H    3.354600      0.6576000       1.696900    
 H    2.817400       2.339400       1.377600    
 H    4.360800       1.750500      0.7214000    
 H    2.940700      -1.585100      -1.617400    
 H    1.716700      -2.869200      -1.347400    
 H    3.326300      -2.992900     -0.6032000    


%chk=000139040-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000139040

0 1
O 2.606370 1.193799 -0.278809
O 2.014857 -1.611542 0.424480
O -2.894896 -1.879431 0.623066
O -3.759307 0.157193 0.097703
N -2.754742 -0.636929 0.286432
C -1.123148 1.240082 -0.276199
C -1.380684 -0.112510 0.111958
C 1.300547 0.707426 -0.128677
C 1.003810 -0.652230 0.199431
C 0.240922 1.604550 -0.382567
C -0.335051 -1.041151 0.334635
C -2.175906 2.294597 -0.555955
C 3.523061 1.001230 0.874935
C 2.793209 -1.971036 -0.786736
H 0.508130 2.630973 -0.652783
H -0.576474 -2.072711 0.601526
H -2.859366 1.982670 -1.364199
H -2.819719 2.470851 0.322719
H -1.690994 3.243042 -0.842187
H 3.571374 -0.058784 1.176445
H 3.178036 1.618648 1.724486
H 4.502467 1.357099 0.523547
H 3.281340 -1.081465 -1.226105
H 2.130465 -2.443202 -1.535564
H 3.547999 -2.694167 -0.443981


