%chk=000097532.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097532

0 1
 O    1.953500       1.536800     -0.6650000    
 O   -1.090300       1.019000     -0.6919000    
 O    1.789300      0.6958000       1.438200    
 N    2.155500      -1.736400     -0.2298000    
 N   -2.516900     -0.5151000      0.3110000    
 N   -3.614500      0.3157000      0.2149000    
 C    1.165800     -0.6862000     -0.4859000    
 C  -0.2046000      -1.114000      4.9500000E-02
 C   -1.295100     -7.4500002E-02 -0.1711000    
 C    1.657300      0.5590000      0.2302000    
 H    1.102900     -0.4965000      -1.563700    
 H  -0.1518000      -1.312200       1.128500    
 H  -0.5227000      -2.042200     -0.4425000    
 H    3.041800      -1.482500     -0.6651000    
 H    1.857400      -2.601600     -0.6788000    
 H   -2.640300      -1.426900      0.7401000    
 H    2.277200       2.350800     -0.2234000    
 H   -3.976500      0.4377000       1.159700    
 H   -4.330600     -0.1984000     -0.2964000    


%chk=000097532-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097532

0 1
O 2.426869 1.144034 0.284303
O -2.280993 -1.096649 -1.455080
O 0.541935 0.710338 1.550256
N 2.159608 -1.349133 -0.807029
N -2.104993 -0.114423 0.647172
N -3.338422 0.593504 0.529978
C 0.937430 -0.558621 -0.563135
C -0.227618 -1.499747 -0.154511
C -1.621778 -0.900908 -0.384047
C 1.238511 0.461389 0.540018
H 0.608126 0.039966 -1.450876
H -0.083895 -1.819039 0.892035
H -0.178643 -2.395516 -0.796438
H 3.003291 -0.782496 -0.936372
H 2.040021 -2.064819 -1.529610
H -1.461853 0.210255 1.379275
H 2.604329 1.801285 1.010767
H -3.488143 0.844755 -0.459723
H -4.116382 0.004124 0.861517


