%chk=000127086.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127086

0 1
 O   0.1570000       2.134200     -0.3524000    
 O    3.408200      -1.013700      0.5037000    
 O   -2.608900      0.4454000      -1.227000    
 N    1.187800      -1.182300     -0.2373000    
 N    2.038200      0.8448000      0.1468000    
 N   -1.062600     -0.4304000      0.2698000    
 N   -3.293000     -0.3000000      0.8610000    
 C   9.9600002E-02 -0.2863000     -0.5525000    
 C   0.7377000       1.060500     -0.2591000    
 C    2.341900     -0.5061000      0.1788000    
 C    1.068700      -2.617400     -0.3962000    
 C    2.969700       1.899100      0.4957000    
 C   -2.348400     -4.9400002E-02 -0.1311000    
 C   -4.695900      1.7000000E-03  0.7000000    
 H  -0.1429000     -0.3564000      -1.617700    
 H  -0.9403000     -0.7998000       1.207500    
 H    2.008900      -3.108600     -0.1332000    
 H   0.8228000      -2.836500      -1.438700    
 H   0.2724000      -2.984100      0.2566000    
 H    2.923300       2.046600       1.578600    
 H    2.694100       2.830400     -5.5000000E-03
 H    3.986100       1.603100      0.2229000    
 H   -2.992000     -0.7522000       1.718600    
 H   -5.192700     -0.8823000      0.2926000    
 H   -4.833100      0.8461000      1.9900000E-02
 H   -5.113900      0.2391000       1.681000    


%chk=000127086-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127086

0 1
O 0.584929 2.564695 0.334678
O 3.359124 -1.228171 0.004485
O -2.458966 -0.656936 -1.186464
N 1.009087 -0.947262 -0.271771
N 2.254480 0.888868 0.194173
N -1.096758 0.052132 0.577041
N -3.400606 -0.290787 0.929330
C 0.053928 0.186650 -0.291168
C 0.958829 1.386168 0.109170
C 2.308944 -0.540419 -0.028321
C 0.635453 -2.315317 -0.630281
C 3.440768 1.679656 0.526179
C -2.342417 -0.316643 0.031712
C -4.758892 -0.662674 0.518222
H -0.342190 0.316089 -1.318715
H -1.015252 0.358818 1.547456
H 1.545058 -2.936737 -0.604469
H 0.191674 -2.349102 -1.641596
H -0.101224 -2.719016 0.086894
H 3.344674 2.124372 1.531722
H 3.576885 2.493340 -0.205912
H 4.309263 1.002450 0.499689
H -3.252745 0.040942 1.882852
H -5.144688 -1.505255 1.121335
H -4.711046 -0.972179 -0.537727
H -5.455616 0.191817 0.604286


