%chk=000101114.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101114

0 1
 O    2.882100       1.842200      0.7881000    
 O    3.459000      -1.885300      0.1103000    
 O    2.214200      -1.024500       1.801200    
 O  -0.2453000      -1.657800      -1.236800    
 N   0.6234000      0.1818000     -0.1232000    
 C    2.008200     -7.0799999E-02 -0.4331000    
 C    2.851500       1.207000     -0.4892000    
 C    2.341500       2.204900      -1.522200    
 C    2.534800      -1.028800      0.6197000    
 C  -0.4020000     -0.6462000     -0.5583000    
 C   -1.777500     -0.2339000     -0.1771000    
 C   -2.833500     -0.6159000     -0.9782000    
 C   -1.954600      0.5181000      0.9655000    
 C   -4.124900     -0.2284000     -0.6204000    
 C   -3.245900      0.9055000       1.323400    
 C   -4.331000      0.5322000      0.5303000    
 H    2.043700     -0.5795000      -1.404700    
 H    3.887600      0.9437000     -0.7308000    
 H   0.4165000       1.017300      0.4115000    
 H    1.344000       2.578500      -1.267100    
 H    2.306600       1.758900      -2.520800    
 H    2.998800       3.080600      -1.555800    
 H    1.986100       2.158100      0.9918000    
 H   -2.689600      -1.203500      -1.880000    
 H   -1.144700      0.7975000       1.630800    
 H   -4.969900     -0.5183000      -1.238200    
 H   -3.408100       1.490400       2.224200    
 H   -5.336700      0.8324000      0.8100000    
 H    3.814000      -2.489900      0.7964000    


%chk=000101114-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000101114

0 1
O 2.958409 2.024630 0.401354
O 3.962567 -1.279386 0.735938
O 2.186876 -0.845003 2.170464
O -0.171413 -0.451806 -1.964104
N 0.640929 0.115954 0.135558
C 2.028817 -0.200188 -0.210725
C 2.853545 1.045969 -0.694708
C 2.279763 1.675037 -1.969537
C 2.691967 -0.797757 1.026535
C -0.399412 -0.125866 -0.755079
C -1.799307 0.044542 -0.224104
C -2.839680 0.179417 -1.179151
C -2.122721 0.048294 1.159055
C -4.177132 0.336862 -0.762534
C -3.463508 0.199665 1.574978
C -4.492787 0.350581 0.616831
H 2.028947 -0.940517 -1.033573
H 3.892790 0.712287 -0.851757
H 0.453761 0.256523 1.132237
H 1.246960 2.033552 -1.806303
H 2.241011 0.943704 -2.794768
H 2.908255 2.530935 -2.270689
H 2.077654 2.470342 0.502005
H -2.571058 0.149331 -2.240123
H -1.352018 -0.099884 1.925500
H -4.972089 0.445506 -1.508230
H -3.705433 0.191754 2.643253
H -5.531953 0.469591 0.942933
H 4.394557 -1.617769 1.566043


