%chk=000063536.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063536

0 1
 O    3.580500       1.740700     -0.2503000    
 N  -0.2799000      0.6710000      0.4509000    
 N    1.364600       2.327000     -0.1013000    
 N   -3.829300     -0.3620000     -1.1700000E-02
 C   -1.649900      0.3656000      0.8318000    
 C   0.6650000     -0.3351000      0.2577000    
 C  -2.4400000E-02   1.941700     -0.2077000    
 C   -2.459700     -3.8500000E-02 -0.3964000    
 C    1.996900     -6.3000000E-03 -7.3399998E-02
 C    2.400300       1.419000     -0.1612000    
 C   0.3654000      -1.701800      0.4031000    
 C    2.972500     -0.9941000     -0.2688000    
 C    1.335100      -2.690300      0.2058000    
 C   -4.605000     -0.7864000      -1.178200    
 C   -4.467900      0.7864000      0.6328000    
 C    2.635800      -2.336800     -0.1332000    
 H   -1.689900     -0.3961000       1.620200    
 H   -2.053300       1.274900       1.290700    
 H  -0.6166000       2.747900      0.2377000    
 H  -0.2672000       1.881700      -1.274900    
 H   -2.445900      0.7682000      -1.141600    
 H   -2.004700     -0.9110000     -0.8789000    
 H    1.593400       3.315300     -0.1466000    
 H  -0.6303000      -2.043900      0.6710000    
 H    3.997100     -0.7344000     -0.5209000    
 H   -4.146300      -1.664000      -1.647400    
 H   -4.685900      5.5000000E-03  -1.931700    
 H   -5.616400      -1.085300     -0.8810000    
 H   -4.084700      0.9537000       1.644100    
 H   -5.540200      0.5984000      0.7694000    
 H   -4.366800       1.707600      4.7300000E-02
 H    1.070000      -3.737600      0.3202000    
 H    3.387900      -3.105400     -0.2837000    


%chk=000063536-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063536

0 1
O 3.773901 1.729547 -0.084153
N -0.213471 0.726686 0.395310
N 1.532961 2.345727 0.039607
N -3.874365 -0.300108 0.004545
C -1.615902 0.503011 0.773051
C 0.693416 -0.328384 0.203832
C 0.131888 2.009755 -0.236573
C -2.533996 0.147758 -0.429860
C 2.063050 -0.016677 -0.101921
C 2.547981 1.395128 -0.075034
C 0.322683 -1.699107 0.339124
C 3.001915 -1.055387 -0.298196
C 1.278413 -2.715158 0.142403
C -4.609164 -0.988689 -1.078168
C -4.683179 0.777085 0.614002
C 2.621343 -2.406485 -0.190033
H -1.675719 -0.313380 1.514212
H -1.977586 1.419697 1.275669
H -0.522042 2.798187 0.176109
H -0.041898 1.960480 -1.339561
H -2.587585 1.025533 -1.128277
H -2.062530 -0.680520 -0.990476
H 1.819771 3.323266 0.118251
H -0.707322 -1.975027 0.584311
H 4.037033 -0.763470 -0.506130
H -4.012143 -1.839677 -1.450960
H -4.846483 -0.323882 -1.947010
H -5.561400 -1.386599 -0.684210
H -4.183021 1.180071 1.511074
H -5.656897 0.366613 0.934277
H -4.879769 1.627267 -0.088936
H 0.967790 -3.761767 0.242443
H 3.352526 -3.205895 -0.344922


