%chk=000101594.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101594

0 1
 O    3.216700      0.8647000     -5.3700000E-02
 N  -0.3167000     -0.2099000      0.2461000    
 N   -3.993100      0.1554000     -0.1616000    
 C   0.8277000      0.6068000     -0.1341000    
 C    2.151500     -2.9000000E-03  0.3334000    
 C   -1.564300      0.4135000     -0.1745000    
 C   -2.749200     -0.4559000      0.2199000    
 C    2.427600      -1.371700     -0.2756000    
 H   0.8593000      0.7380000      -1.223600    
 H   0.7366000       1.614200      0.2926000    
 H    2.171600     -8.3099999E-02   1.426600    
 H   -1.562300      0.5534000      -1.262900    
 H   -1.663200       1.403200      0.2894000    
 H  -0.3218000     -0.3467000       1.256500    
 H   -2.754000     -0.6245000       1.303100    
 H   -2.671700      -1.440800     -0.2549000    
 H    3.416600      -1.730900      2.9600000E-02
 H    2.438900      -1.317900      -1.369800    
 H    1.683600      -2.112400      3.1900000E-02
 H    3.062000       1.726300      0.3698000    
 H   -4.007700      0.3218000      -1.167100    
 H   -4.081000       1.072700      0.2742000    


%chk=000101594-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000101594

0 1
O 3.391321 0.774674 0.046495
N -0.289766 -0.039133 0.346157
N -4.082981 0.032347 -0.190743
C 0.918151 0.690819 -0.079892
C 2.205050 -0.053644 0.349735
C -1.569898 0.479953 -0.176812
C -2.758219 -0.411055 0.274857
C 2.406270 -1.375833 -0.389777
H 0.909892 0.774840 -1.183622
H 0.961096 1.739855 0.322056
H 2.152403 -0.241086 1.448512
H -1.517525 0.476518 -1.284163
H -1.777379 1.538355 0.131319
H -0.321077 -0.161717 1.368580
H -2.778002 -0.458150 1.382992
H -2.580130 -1.442789 -0.078579
H 3.285315 -1.914160 0.003638
H 2.572339 -1.178795 -1.463947
H 1.506254 -2.003847 -0.276273
H 3.285777 1.659454 0.482741
H -4.234573 -0.061308 -1.198883
H -4.377215 0.948003 0.160907


