%chk=000011479.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000011479

0 1
 O    1.047500     -0.2426000       2.195300    
 O    2.445300      -1.479400      8.7399997E-02
 O    1.845200     -0.5491000      -1.891000    
 N    1.443600       1.877100     -0.8294000    
 C   0.6487000      0.6629000       1.163500    
 C    1.779600      0.8190000      0.1290000    
 C  -0.6730000      0.2591000      0.5376000    
 C   -1.547900       1.244600      0.1202000    
 C  -0.9691000      -1.084300      0.4009000    
 C    2.008900     -0.4476000     -0.6815000    
 C   -2.763100      0.8731000     -0.4550000    
 C   -2.184300      -1.455700     -0.1745000    
 C   -3.081300     -0.4770000     -0.6025000    
 H   0.5008000       1.623200       1.676100    
 H    2.726000       1.070200      0.6221000    
 H   -1.314400       2.298800      0.2350000    
 H  -0.2864000      -1.862200      0.7281000    
 H    2.234200       2.035700      -1.453300    
 H    1.297500       2.753900     -0.3304000    
 H    1.879600      9.0300001E-02   2.572600    
 H   -3.462200       1.635100     -0.7870000    
 H   -2.432400      -2.506900     -0.2891000    
 H   -4.027700     -0.7661000      -1.050100    
 H    2.597100      -2.291000     -0.4423000    


%chk=000011479-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000011479

0 1
O 1.136667 -0.198075 2.310965
O 2.448939 -1.363702 0.191655
O 2.098997 -0.347562 -1.867806
N 1.498311 2.165617 -0.608993
C 0.666337 0.712822 1.272418
C 1.811791 1.002008 0.215566
C -0.643023 0.270588 0.614185
C -1.513439 1.241524 0.053710
C -1.010147 -1.096201 0.550687
C 2.123219 -0.252569 -0.627369
C -2.715406 0.850657 -0.578199
C -2.212681 -1.487746 -0.079537
C -3.067055 -0.517098 -0.651518
H 0.514201 1.679612 1.779610
H 2.707566 1.220158 0.827592
H -1.251158 2.303532 0.127975
H -0.374588 -1.849869 1.027761
H 0.806625 1.974448 -1.341543
H 2.319860 2.648621 -0.981911
H 1.618963 -0.953074 1.875491
H -3.380575 1.611624 -1.001971
H -2.488245 -2.548022 -0.115575
H -4.001483 -0.821764 -1.135970
H 2.618522 -2.164428 -0.375523


