%chk=000095498.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095498

0 1
 O    3.266900      0.8714000     -3.7700001E-02
 O   -1.848300     -0.8636000       1.851300    
 N    2.414200      0.4971000       2.060400    
 N   -1.741900      -2.310800      7.2700001E-02
 N    1.700800      -1.629400      -2.037200    
 N   -3.428600       1.713800     -0.5027000    
 C  -3.3100002E-02  0.7448000     -2.3399999E-02
 C    1.128800     -0.2769000      0.1512000    
 C   -1.387600      5.2900001E-02 -0.3565000    
 C   0.3130000       1.885400     -0.9979000    
 C    2.380600      0.4192000      0.6841000    
 C   -1.683900      -1.059300      0.6491000    
 C    1.445700      -1.030900      -1.076100    
 C   -2.526700      0.9862000     -0.4373000    
 H  -0.1625000       1.234100      0.9547000    
 H   0.8460000      -1.016500      0.9115000    
 H   -1.289200     -0.3964000      -1.354200    
 H    1.228400       2.406500     -0.7028000    
 H   0.4468000       1.508400      -2.017100    
 H  -0.4791000       2.640500      -1.023000    
 H    3.193300      0.9381000       2.537800    
 H    1.670600      0.1309000       2.646200    
 H   -1.601400      -2.466900     -0.9201000    
 H   -1.929500      -3.132900      0.6370000    


%chk=000095498-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000095498

0 1
O 3.390968 1.257011 0.613473
O -0.526771 -1.331340 1.729939
N 2.081627 0.150526 2.204323
N -2.586413 -1.827302 0.802595
N 2.537840 -0.410948 -2.547757
N -3.311173 0.933823 -1.245916
C 0.112442 0.691596 -0.165469
C 1.460150 -0.136822 -0.129150
C -1.077241 -0.289859 -0.455574
C 0.183219 1.875738 -1.150065
C 2.432352 0.497412 0.915256
C -1.374284 -1.189470 0.796561
C 2.073950 -0.270072 -1.458331
C -2.303238 0.398031 -0.896654
H -0.041011 1.084522 0.855825
H 1.232392 -1.155148 0.235931
H -0.771324 -0.967185 -1.282852
H 1.081019 2.482334 -0.938251
H 0.249595 1.534660 -2.198367
H -0.703782 2.524815 -1.051759
H 2.622142 0.534285 2.978745
H 1.267752 -0.448577 2.381068
H -3.294115 -1.654339 0.087762
H -2.812797 -2.437989 1.588665


