%chk=000095819.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095819

0 1
 O   -2.044700     -0.1644000      0.5428000    
 O    4.085000       1.247200     -0.2916000    
 N    4.207900      -1.041900     -0.3491000    
 C  -0.6960000     -8.7800004E-02  0.3528000    
 C   5.8899999E-02  -1.254600      0.2337000    
 C  -7.1800001E-02   1.157300      0.2777000    
 C    2.062100      6.8599999E-02 -3.5599999E-02
 C    1.437900      -1.176600      3.9500002E-02
 C    1.307300       1.235500      8.3499998E-02
 C  -0.5912000      -2.596700      0.3116000    
 C  -0.8629000       2.417500      0.4035000    
 C    3.500100      0.1513000     -0.2372000    
 C   -2.861600     -0.1874000     -0.6250000    
 C   -4.288200     -0.3301000     -0.2098000    
 C   -5.242700      0.5620000     -0.4966000    
 H    1.974500      -2.113600     -4.9199998E-02
 H    1.784500       2.210900      2.3900000E-02
 H   -1.374100      -2.615500       1.077100    
 H   -1.029500      -2.861800     -0.6555000    
 H   0.1292000      -3.375900      0.5841000    
 H   -1.342700       2.660900     -0.5494000    
 H   -1.630300       2.328800       1.179700    
 H  -0.2259000       3.262200      0.6886000    
 H   -2.707100      0.7287000      -1.206700    
 H   -2.590800      -1.041200      -1.256600    
 H   -4.557600      -1.218700      0.3550000    
 H    3.816200      -1.973800     -0.3118000    
 H    5.213800      -1.010300     -0.4833000    
 H   -6.263200      0.3991000     -0.1678000    
 H   -5.026500       1.463600      -1.058800    


%chk=000095819-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000095819

0 1
O -2.059699 -0.206142 0.548482
O 4.130701 1.212355 -0.729234
N 4.388662 -0.993154 -0.078195
C -0.665868 -0.118756 0.281265
C 0.061207 -1.338032 0.182568
C -0.030306 1.150774 0.194901
C 2.121786 -0.015554 -0.115191
C 1.458205 -1.265516 -0.015975
C 1.367176 1.176305 -0.010176
C -0.657488 -2.668073 0.299408
C -0.822130 2.435919 0.345841
C 3.605418 0.124312 -0.335239
C -2.943853 0.028426 -0.630208
C -4.346038 -0.336475 -0.223364
C -5.423542 0.464479 -0.409176
H 2.011014 -2.206624 -0.129276
H 1.902055 2.129030 -0.090620
H -1.183663 -2.748290 1.267302
H -1.427364 -2.785656 -0.485810
H 0.050129 -3.510356 0.212241
H -1.191048 2.803439 -0.631890
H -1.698225 2.283130 0.999237
H -0.193677 3.234078 0.775862
H -2.882419 1.085743 -0.953826
H -2.590762 -0.615942 -1.463837
H -4.460386 -1.329035 0.233346
H 4.020492 -1.842179 0.343904
H 5.392332 -0.911937 -0.235218
H -6.432081 0.141214 -0.129661
H -5.330030 1.465818 -0.847959


