%chk=000076532.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076532

0 1
 O  -0.6403000      -1.506800      -1.030900    
 O    2.820800      0.9235000     -0.8291000    
 N   -1.637300      0.5006000     -0.2989000    
 N   -2.663000      -1.454900      0.1475000    
 N    1.108200      0.6781000      0.7228000    
 C   -2.803900      0.8639000      0.4781000    
 C  -0.6786000       1.484800     -0.7502000    
 C   -3.549000     -0.4479000      0.6738000    
 C   -1.533300     -0.8893000     -0.4660000    
 C   0.3408000       1.826600      0.3235000    
 C    2.298000      0.3212000      0.1033000    
 C    2.893500     -0.9047000      0.6985000    
 C    4.044200      -1.395100      0.2276000    
 H   -3.403000       1.601400     -6.4199999E-02
 H   -2.479000       1.287100       1.433700    
 H  -0.1644000       1.076000      -1.627800    
 H   -1.224400       2.380200      -1.065500    
 H   -3.761200     -0.6595000       1.725200    
 H   -4.481700     -0.4780000      0.1029000    
 H   -2.851400      -2.452000      0.1719000    
 H    1.020000       2.602500     -4.5800000E-02
 H  -0.1534000       2.211300       1.221800    
 H   0.7453000      0.1124000       1.484600    
 H    2.383100      -1.397300       1.518700    
 H    4.472100      -2.290300      0.6667000    
 H    4.584900     -0.9329000     -0.5907000    


%chk=000076532-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000076532

0 1
O -0.845478 -1.623695 -0.666557
O 3.107835 1.424552 0.700727
N -1.878119 0.485445 -0.271172
N -2.859819 -1.347318 0.578604
N 1.224123 0.317623 -0.099709
C -2.955030 1.009480 0.593429
C -0.875863 1.317762 -0.952288
C -3.814984 -0.266104 0.878301
C -1.773319 -0.904936 -0.173354
C 0.430109 1.551799 -0.163399
C 2.533879 0.342838 0.340734
C 3.206458 -0.998058 0.353130
C 4.494622 -1.136016 0.756381
H -3.540887 1.792130 0.080066
H -2.546939 1.435787 1.532596
H -0.631123 0.836268 -1.918185
H -1.345866 2.293141 -1.172620
H -4.159985 -0.298370 1.925551
H -4.699745 -0.307532 0.211771
H -3.049797 -2.339755 0.690304
H 1.030942 2.339973 -0.657593
H 0.208074 1.927984 0.856905
H 0.755479 -0.565021 -0.366489
H 2.617785 -1.866190 0.025138
H 4.997212 -2.108978 0.770359
H 5.057435 -0.251908 1.078869


