%chk=000128784.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128784

0 1
 O   -3.622300      -1.326200      0.6752000    
 O   -1.594300       2.856400      1.2200000E-02
 N   -1.303600      -1.243800      0.4961000    
 N   -2.636700      0.7727000      0.3451000    
 N   0.9878000       1.360200      7.7999998E-03
 N    1.115300     -0.8499000      0.2707000    
 C  -0.1891000     -0.4364000      0.3147000    
 C  -0.2957000      0.9183000      0.1554000    
 C   -1.147900      -2.683500      0.6630000    
 C   -2.594200     -0.6580000      0.5177000    
 C   -3.956300       1.394900      0.3656000    
 C   -1.527200       1.639200      0.1570000    
 C   -1.187700      -3.429600     -0.6652000    
 C    1.800900      0.2591000      8.4399998E-02
 C   -4.583900       1.471100      -1.021100    
 C    3.235800      0.3606000     -3.1900000E-02
 C   -1.047600      -4.935900     -0.4982000    
 C   -5.951600       2.138700      -1.012000    
 C    3.968700     -0.6998000     -0.5645000    
 C    3.889000       1.519100      0.3879000    
 C    5.355500     -0.6015000     -0.6773000    
 C    5.275800       1.617300      0.2750000    
 C    6.009100      0.5570000     -0.2577000    
 H   -1.957500      -3.048900       1.306300    
 H  -0.2108000      -2.887200       1.195200    
 H   -3.870700       2.404900      0.7840000    
 H   -4.614500      0.8327000       1.038200    
 H   -2.130000      -3.214000      -1.183500    
 H  -0.3846000      -3.067200      -1.318200    
 H    1.272200       2.319300     -0.1432000    
 H   -3.922200       2.024800      -1.698100    
 H   -4.681400      0.4623000      -1.440100    
 H   -1.859900      -5.338100      0.1154000    
 H   -1.080100      -5.430800      -1.473900    
 H  -9.6500002E-02  -5.188500     -1.9099999E-02
 H   -5.882600       3.165300     -0.6382000    
 H   -6.364800       2.171700      -2.024900    
 H   -6.651100       1.587000     -0.3761000    
 H    3.478900      -1.610600     -0.9005000    
 H    3.349500       2.358300      0.8196000    
 H    5.926600      -1.426800      -1.092600    
 H    5.785500       2.518100      0.6046000    
 H    7.089000      0.6333000     -0.3450000    


%chk=000128784-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128784

0 1
O -3.633898 -1.347221 0.606832
O -1.704942 2.947210 0.158581
N -1.301441 -1.222363 0.469681
N -2.658844 0.784485 0.403669
N 1.007108 1.445302 0.096091
N 1.137861 -0.820177 0.257331
C -0.183843 -0.415442 0.320708
C -0.301788 0.980099 0.223646
C -1.174217 -2.699374 0.539557
C -2.592055 -0.639164 0.496413
C -4.022251 1.382716 0.433386
C -1.552331 1.689168 0.250374
C -1.204243 -3.360769 -0.855479
C 1.855416 0.341224 0.119702
C -4.673959 1.432729 -0.966052
C 3.315495 0.408032 0.011976
C -1.067012 -4.894076 -0.749058
C -6.081636 2.061636 -0.901679
C 4.059067 -0.804452 0.027246
C 4.010630 1.643475 -0.106720
C 5.463521 -0.779023 -0.074896
C 5.416763 1.663461 -0.208631
C 6.149646 0.453533 -0.193367
H -2.012719 -3.070032 1.152847
H -0.220273 -2.920425 1.049554
H -3.912014 2.403390 0.837120
H -4.637875 0.773966 1.116370
H -2.156621 -3.101039 -1.354455
H -0.381424 -2.948865 -1.469990
H 1.259286 2.427488 -0.004763
H -4.028362 2.021751 -1.644476
H -4.738160 0.405043 -1.369522
H -1.892019 -5.328208 -0.153887
H -1.091318 -5.362766 -1.748907
H -0.112947 -5.178877 -0.266759
H -6.040072 3.094873 -0.508874
H -6.542997 2.100794 -1.904631
H -6.751078 1.474284 -0.245695
H 3.512786 -1.748013 0.119474
H 3.469052 2.597506 -0.119109
H 6.025649 -1.719015 -0.062026
H 5.940935 2.620861 -0.299412
H 7.241925 0.471876 -0.272371


