%chk=000044446.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044446

0 1
 O   0.3270000       1.342400     -0.8681000    
 O   -2.950400       2.439100      0.2724000    
 N   -2.494900     -0.3867000      0.4183000    
 N   -2.907900      -2.401300       1.482300    
 N   -3.165900      -2.356300     -0.7819000    
 C   -2.012500       1.801500     -0.5952000    
 C  -0.6243000       1.910100      2.7100001E-02
 C   -2.445800      0.3586000     -0.8437000    
 C    1.428800      0.7565000     -0.3045000    
 C    2.049100     -0.3084000     -0.9491000    
 C    3.171100     -0.9054000     -0.3743000    
 C    1.917200       1.231200      0.9081000    
 C    3.666200     -0.4340000      0.8416000    
 C    3.039300      0.6343000       1.482700    
 C    3.841000      -2.048000      -1.059400    
 C   -2.838000      -1.633600      0.3437000    
 H   -2.020000       2.337600      -1.551800    
 H  -0.3777000       2.965900      0.1941000    
 H  -0.6401000       1.413300       1.006400    
 H   -3.447200      0.3695000      -1.292500    
 H   -1.753900     -0.1182000      -1.548200    
 H    1.657500     -0.6692000      -1.896900    
 H    1.479300       2.080300       1.423900    
 H   -3.824200       2.385600     -0.1510000    
 H    4.541700     -0.8884000       1.297900    
 H    3.429800       1.006100       2.425600    
 H    3.119600      -2.645600      -1.627100    
 H    4.607600      -1.676800      -1.746700    
 H    4.314600      -2.720500     -0.3361000    
 H   -2.693300      -2.008700       2.392500    
 H   -3.173400      -3.379400       1.447000    
 H   -3.420300      -3.336100     -0.7176000    
 H   -3.168200      -1.944500      -1.708100    


%chk=000044446-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044446

0 1
O 0.364162 0.629548 -0.708226
O -2.821202 2.339719 0.094403
N -3.287939 -0.216997 0.335014
N -4.690446 -1.620929 1.588850
N -3.813468 -2.447952 -0.427851
C -1.902625 1.494666 -0.665935
C -0.603336 1.350150 0.143859
C -2.580430 0.119472 -0.918940
C 1.643064 0.381513 -0.186094
C 2.525763 -0.317134 -1.047401
C 3.840683 -0.629555 -0.637862
C 2.067236 0.777786 1.106374
C 4.263836 -0.235995 0.661520
C 3.383174 0.460330 1.515193
C 4.793955 -1.349279 -1.577894
C -3.884149 -1.379502 0.471739
H -1.685523 2.002241 -1.621557
H -0.217152 2.354905 0.400748
H -0.799420 0.776139 1.072247
H -3.291992 0.214520 -1.767420
H -1.790094 -0.609472 -1.202519
H 2.162302 -0.605389 -2.040079
H 1.398477 1.316334 1.783509
H -3.322557 1.662450 0.652999
H 5.279463 -0.475466 0.997677
H 3.717982 0.760646 2.514853
H 4.250487 -1.961583 -2.318651
H 5.417040 -0.626583 -2.140003
H 5.481829 -2.012424 -1.023555
H -4.798253 -0.839564 2.232183
H -4.776070 -2.563340 1.964242
H -4.509125 -3.189458 -0.417424
H -3.183871 -2.388894 -1.222601


