%chk=000039588.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039588

0 1
 O  -0.6033000       1.892900     -1.6000001E-02
 O    1.911000      -1.889700     -0.3178000    
 N   -1.758100     -9.7599998E-02  5.8800001E-02
 N   0.6447000     -3.3000000E-02  0.1159000    
 N   0.7798000      -1.409800     -0.4473000    
 C    1.818500      0.5720000      0.7338000    
 C  -0.5739000      0.6564000      5.2099999E-02
 C    2.616700       1.340000     -0.3020000    
 C   -2.973500      0.3489000     -0.6197000    
 C   -1.861800      -1.380100      0.7421000    
 H    1.475700       1.272000       1.505200    
 H    2.430600     -0.1826000       1.238300    
 H    2.978800      0.6782000      -1.095600    
 H    2.016200       2.124900     -0.7728000    
 H    3.485300       1.814400      0.1656000    
 H   -3.753900      0.5175000      0.1275000    
 H   -3.291400     -0.4252000      -1.323700    
 H   -2.788200       1.277600      -1.165800    
 H   -1.039300      -1.532100       1.445600    
 H   -1.887100      -2.182100     -1.0000000E-03
 H   -2.794600      -1.398600       1.315100    


%chk=000039588-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000039588

0 1
O -0.577140 1.837696 -0.226416
O 2.014789 -1.848661 -0.071499
N -1.751705 -0.171896 0.024397
N 0.655700 -0.084253 0.280177
N 0.822974 -1.399465 -0.199586
C 1.812735 0.717490 0.765485
C -0.602140 0.590484 0.005199
C 2.660281 1.300416 -0.384858
C -2.995009 0.460856 -0.459042
C -1.894810 -1.542815 0.553629
H 1.398263 1.526300 1.387392
H 2.421977 0.040549 1.390735
H 3.073190 0.498956 -1.020029
H 2.047030 1.978960 -0.999823
H 3.505010 1.873798 0.037609
H -3.702431 0.620764 0.377226
H -3.476672 -0.187946 -1.213672
H -2.752969 1.435432 -0.906968
H -1.114226 -1.763331 1.295962
H -1.831839 -2.301341 -0.245788
H -2.880809 -1.617992 1.048172


