%chk=000048804.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048804

0 1
 O  -8.1000002E-03  -2.099000      0.8952000    
 O  -0.6210000       2.450300     -0.4573000    
 O    3.422000      0.4144000     -0.9956000    
 N    1.726500     -0.8707000     -3.5999998E-02
 N    1.379600       1.371400     -0.6938000    
 C  -0.4855000      0.1893000      0.3642000    
 C  -0.9060000      0.5534000       1.795200    
 C   -1.670200     -0.2215000     -0.4648000    
 C   0.4154000      -1.033300      0.4346000    
 C   6.0300000E-02   1.436300     -0.2939000    
 C   0.2636000       1.100900       2.584800    
 C   -1.364300     -0.5283000      -1.904400    
 C    2.259400      0.3011000     -0.5971000    
 C   -2.924400     -0.3169000      1.6700000E-02
 C    2.597300      -2.038100      6.6299997E-02
 C   -4.144400     -0.7092000     -0.7142000    
 H   -1.298800     -0.3161000       2.338700    
 H   -1.681900       1.330800       1.805200    
 H    1.093600      0.3900000       2.641300    
 H   0.6411000       2.043400       2.177100    
 H  -5.3100001E-02   1.306500       3.613500    
 H    1.755600       2.214900      -1.118500    
 H   -1.324200      0.3937000      -2.493700    
 H  -0.4066000      -1.044600      -2.022100    
 H   -2.101300      -1.191500      -2.365800    
 H   -3.132100     -0.1177000       1.063200    
 H    2.162300      -2.851900     -0.5230000    
 H    2.639800      -2.356600       1.112900    
 H    3.610200      -1.837500     -0.2902000    
 H   -4.971700     -5.2499998E-02 -0.4229000    
 H   -4.057800     -0.6311000      -1.800200    
 H   -4.427100      -1.734600     -0.4575000    


%chk=000048804-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048804

0 1
O 0.183933 -1.997976 1.163736
O -0.551500 2.598525 -0.257180
O 3.339697 0.349320 -1.343506
N 1.736325 -0.858452 -0.114746
N 1.350247 1.401858 -0.775643
C -0.515038 0.232338 0.429841
C -0.952541 0.600949 1.885100
C -1.686303 -0.244141 -0.489259
C 0.480063 -0.949596 0.533422
C 0.068278 1.505766 -0.212264
C 0.210606 1.076353 2.781723
C -1.269523 -0.600573 -1.906908
C 2.214739 0.291308 -0.783100
C -2.961908 -0.316333 -0.021791
C 2.625022 -2.044905 -0.045874
C -4.199541 -0.747291 -0.775413
H -1.419352 -0.295666 2.328509
H -1.710583 1.400436 1.813489
H 0.985511 0.296570 2.900409
H 0.688582 1.990827 2.384981
H -0.169082 1.316281 3.790595
H 1.725169 2.240810 -1.231624
H -0.833182 0.270246 -2.434142
H -0.508058 -1.404777 -1.917642
H -2.120971 -0.951428 -2.509101
H -3.153254 -0.034947 1.020505
H 2.098065 -2.924747 -0.447920
H 2.893903 -2.252318 1.002598
H 3.526268 -1.828270 -0.635920
H -4.947949 0.069022 -0.782649
H -4.003044 -1.033452 -1.821051
H -4.676381 -1.610440 -0.271276


