%chk=000079101.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079101

0 1
 O    2.323800       1.997400     -0.2897000    
 O   -1.485400       1.428600     -0.6042000    
 O    1.378500      0.9351000       1.500400    
 N  -0.2211000     -0.4551000     -0.1458000    
 N   -3.822600      0.3578000      0.1425000    
 C    1.032200      4.8400000E-02 -0.6923000    
 C    1.918900      -1.184200     -0.8264000    
 C    1.416100      -2.105500      0.2824000    
 C  -8.0700003E-02  -1.836100      0.3087000    
 C   -1.405200      0.2624000     -0.2146000    
 C    1.585000       1.026800      0.2998000    
 C   -2.639500     -0.4756000      0.2393000    
 H   0.8437000      0.5533000      -1.645600    
 H    2.987800     -0.9699000     -0.7333000    
 H    1.746300      -1.661100      -1.798900    
 H    1.650000      -3.158000      9.9500000E-02
 H    1.868100      -1.820000       1.239600    
 H  -0.6119000      -2.481200     -0.3994000    
 H  -0.5134000      -1.965200       1.304500    
 H   -2.508400     -0.7784000       1.282600    
 H   -2.773000      -1.371300     -0.3755000    
 H    2.683200       2.633100      0.3652000    
 H   -4.637300     -0.1720000      0.4498000    
 H   -3.994600      0.5981000     -0.8331000    


%chk=000079101-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000079101

0 1
O 2.283936 2.009698 -0.422910
O -1.499119 1.321826 -0.701363
O 1.290730 1.108890 1.476572
N -0.281992 -0.593695 -0.250666
N -3.964152 0.176596 0.143636
C 0.966806 0.019769 -0.742078
C 1.944109 -1.188937 -0.824927
C 1.463657 -2.113899 0.323304
C -0.077681 -1.962794 0.293884
C -1.459548 0.130873 -0.256001
C 1.481528 1.078070 0.243188
C -2.718752 -0.577408 0.309635
H 0.809871 0.516403 -1.712780
H 2.998898 -0.884620 -0.728495
H 1.816556 -1.682182 -1.805289
H 1.781080 -3.160988 0.187958
H 1.855278 -1.752461 1.289932
H -0.544822 -2.719694 -0.368149
H -0.521567 -2.062850 1.300228
H -2.553338 -0.768143 1.388896
H -2.828189 -1.572041 -0.165069
H 2.619963 2.683763 0.227991
H -4.210373 0.302279 -0.845932
H -3.912380 1.098945 0.593939


