%chk=000083229.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083229

0 1
 O    1.997900       1.498900      -1.146500    
 O   -1.751200      -1.938900     -8.7700002E-02
 O   -2.879000     -0.3585000      -1.262200    
 N   -2.755100       1.299300      0.9267000    
 N    3.516400      -1.279300      0.8006000    
 C   0.7487000     -4.9800001E-02  0.2166000    
 C  -0.3799000      0.9659000      0.4277000    
 C    2.114900      0.6023000     -4.0100001E-02
 C   -1.712200      0.2868000      0.7786000    
 C    3.279300     -0.3591000     -0.3075000    
 C   -2.179700     -0.6676000     -0.3061000    
 H   0.5068000     -0.6782000     -0.6488000    
 H   0.8084000     -0.7049000       1.093100    
 H  -9.8399997E-02   1.658200       1.231500    
 H  -0.4989000       1.563400     -0.4855000    
 H    2.369800       1.221200      0.8291000    
 H   -1.633900     -0.2637000       1.722800    
 H    4.190200      0.2208000     -0.4965000    
 H    3.088400     -0.9306000      -1.223600    
 H   -2.820800       1.858000      7.6200001E-02
 H   -2.494400       1.950800       1.666400    
 H    1.765600      0.9723000      -1.930500    
 H    4.304500      -1.884000      0.5717000    
 H    2.713700      -1.896400      0.9144000    
 H   -2.062700      -2.554100     -0.7853000    


%chk=000083229-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000083229

0 1
O 2.047011 1.450170 -1.337341
O -1.922332 -1.901418 -0.222106
O -2.906332 -0.116581 -1.329952
N -2.771035 1.286369 1.124343
N 3.523334 -1.236343 0.887828
C 0.787522 -0.098784 0.162229
C -0.346823 0.919287 0.407422
C 2.136814 0.581694 -0.140704
C -1.728962 0.294833 0.803667
C 3.295562 -0.430052 -0.321794
C -2.261578 -0.549458 -0.348974
H 0.525930 -0.776378 -0.678154
H 0.911560 -0.735886 1.060433
H -0.053932 1.588884 1.241807
H -0.482458 1.561588 -0.483524
H 2.399364 1.279299 0.673329
H -1.577200 -0.373116 1.670939
H 4.208538 0.152204 -0.540244
H 3.081733 -1.045896 -1.231905
H -3.165522 1.739025 0.292701
H -2.500389 1.949508 1.855687
H 1.812053 0.881977 -2.116711
H 4.498711 -1.444613 1.103919
H 2.906506 -2.041569 1.008903
H -2.279673 -2.401945 -1.006699


