%chk=000094576.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094576

0 1
 O    2.092400     -0.9211000      0.1968000    
 O   -2.528300      0.6462000     -0.3526000    
 N  -0.4949000      0.2948000     -1.4500000E-02
 N   -1.617200      0.7901000      0.4686000    
 C  -0.3223000      -1.139500      0.3319000    
 C   0.7194000       1.088900      0.3107000    
 C   0.9840000      -1.690400     -0.2541000    
 C    1.975800      0.4184000     -0.2675000    
 C   -1.479200      -2.013200     -0.1816000    
 C   0.6702000       2.525700     -0.2376000    
 H  -0.2659000      -1.236000       1.426400    
 H   0.8293000       1.130400       1.404100    
 H    1.145400      -2.719700      8.4700003E-02
 H   0.9678000      -1.707200      -1.351600    
 H    1.977600      0.4280000      -1.365200    
 H    2.872900      0.9539000      6.2799998E-02
 H   -1.261100      -3.074200     -1.3600000E-02
 H   -2.417500      -1.803200      0.3421000    
 H   -1.639400      -1.876200      -1.257100    
 H   0.5329000       2.531800      -1.324700    
 H  -0.1491000       3.097300      0.2110000    
 H    1.600000       3.059200     -1.1400000E-02


%chk=000094576-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000094576

0 1
O 2.104123 -0.919715 0.572939
O -2.338222 0.080476 1.668318
N -0.356380 0.262168 0.610298
N -1.360158 0.861236 1.352613
C -0.398099 -1.205154 0.335072
C 0.790575 1.183054 0.344217
C 1.025985 -1.777795 0.071708
C 2.021196 0.369796 -0.117099
C -1.359823 -1.542236 -0.828474
C 0.420537 2.272095 -0.684669
H -0.822557 -1.642814 1.260815
H 1.024346 1.663407 1.311842
H 1.148298 -2.742153 0.589815
H 1.167295 -1.935256 -1.020549
H 1.987186 0.204940 -1.217762
H 2.945479 0.915156 0.131807
H -1.395937 -2.637167 -0.980505
H -2.379232 -1.192394 -0.599905
H -1.020615 -1.073933 -1.770463
H 0.148021 1.821341 -1.656456
H -0.435292 2.864482 -0.321381
H 1.276073 2.954466 -0.844584


