%chk=000096643.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096643

0 1
 O  -0.7261000      0.5399000     -7.1099997E-02
 O   -2.026900      -1.307800      0.3953000    
 N    2.896500     -5.8899999E-02  0.2748000    
 C    1.669000      0.6714000     -3.8000001E-03
 C   0.4554000     -0.2223000      0.1963000    
 C    4.064000      0.8129000      0.1230000    
 C    3.017800      -1.223600     -0.6053000    
 C   -3.046500      0.8036000     -0.2462000    
 C   -1.905600     -0.1353000      6.8499997E-02
 C   -4.397700      0.1200000     -0.1314000    
 H    1.658900       1.084400      -1.021700    
 H    1.577700       1.532600      0.6710000    
 H   0.4183000     -0.5953000       1.227100    
 H   0.4510000      -1.067900     -0.4983000    
 H    3.993100       1.671500      0.7999000    
 H    4.168800       1.188200     -0.9015000    
 H    4.982100      0.2785000      0.3917000    
 H    4.009700      -1.679900     -0.4985000    
 H    2.883900     -0.9660000      -1.662300    
 H    2.314600      -2.016400     -0.3327000    
 H   -3.005200       1.645700      0.4527000    
 H   -2.916000       1.177700      -1.267200    
 H   -4.560900     -0.2607000      0.8823000    
 H   -5.202200      0.8237000     -0.3664000    
 H   -4.470200     -0.7263000     -0.8225000    


%chk=000096643-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096643

0 1
O -0.761268 0.520915 -0.063989
O -2.099997 -1.305606 0.487303
N 2.929388 -0.097156 0.157194
C 1.648936 0.563570 -0.185250
C 0.451016 -0.294896 0.238387
C 4.052478 0.860367 0.228554
C 3.246224 -1.248868 -0.713517
C -3.133529 0.840566 -0.212431
C -1.995540 -0.116240 0.111899
C -4.518095 0.179580 -0.096454
H 1.565589 0.803705 -1.275377
H 1.594237 1.521224 0.363550
H 0.484503 -0.514089 1.319735
H 0.378118 -1.249419 -0.311749
H 3.819338 1.656856 0.957116
H 4.289280 1.345207 -0.752838
H 4.961636 0.337248 0.575554
H 4.181615 -1.722783 -0.367334
H 3.379394 -0.961872 -1.788152
H 2.448395 -2.008799 -0.658324
H -3.046973 1.709267 0.468583
H -2.961461 1.241965 -1.229261
H -4.686898 -0.208376 0.922453
H -5.312789 0.909838 -0.330462
H -4.610095 -0.672503 -0.791490


