%chk=000068937.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068937

0 1
 O    2.442000      0.4851000       1.656000    
 O   -3.976000     -0.6956000     -0.5222000    
 N   0.8369000       2.034300      3.5000000E-02
 N    3.377100     -0.4797000     -0.2359000    
 C    2.095700       1.552800     -0.4891000    
 C    2.640000      0.4804000      0.4428000    
 C    4.002600      -1.599100      0.4293000    
 C    3.078700       2.708300     -0.6121000    
 C  -0.3615000       1.355000     -0.1038000    
 C    3.085200      -2.813300      0.5088000    
 C  -0.4201000      0.1232000     -0.7835000    
 C   -1.554900       1.876200      0.4313000    
 C    2.675300      -3.331800     -0.8623000    
 C   -2.798200     -2.7899999E-02 -0.3849000    
 C   -1.627100     -0.5619000     -0.9227000    
 C   -2.761900       1.191200      0.2922000    
 C   -4.945200     -0.5221000      0.5105000    
 C   -5.788700      -1.775100      0.6108000    
 H    1.965100       1.153200      -1.501700    
 H   0.8352000       2.880300      0.5945000    
 H    4.299600      -1.294400       1.438700    
 H    4.912300      -1.841700     -0.1301000    
 H    4.035100       2.367300      -1.022800    
 H    2.683800       3.491600      -1.268200    
 H    3.283900       3.162700      0.3641000    
 H    3.492500     -0.4036000      -1.242200    
 H    3.599600      -3.613400       1.053300    
 H    2.182200      -2.563500       1.078300    
 H   0.4591000     -0.3423000      -1.217800    
 H   -1.545400       2.828700      0.9570000    
 H    2.082500      -2.592700      -1.410100    
 H    2.065900      -4.234900     -0.7556000    
 H    3.553700      -3.585100      -1.464500    
 H   -1.649500      -1.511900      -1.449800    
 H   -3.654600       1.654900      0.7012000    
 H   -5.582300      0.3350000      0.2657000    
 H   -4.475100     -0.3632000       1.489200    
 H   -6.551300      -1.672800       1.388000    
 H   -6.283300      -1.984200     -0.3435000    
 H   -5.163200      -2.643800      0.8416000    


%chk=000068937-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000068937

0 1
O 3.677556 0.376485 -1.828628
O -4.168047 -0.757441 -1.265829
N 0.868626 1.259891 0.416196
N 2.627705 -0.775119 -0.081799
C 1.954310 1.560394 -0.534298
C 2.831954 0.323875 -0.880858
C 3.382671 -2.027354 -0.236482
C 2.866892 2.675112 0.024528
C -0.398835 0.777287 -0.005178
C 4.497181 -2.205240 0.823120
C -0.583027 0.159184 -1.276259
C -1.517453 0.874699 0.863553
C 3.965226 -2.298489 2.269426
C -2.954398 -0.228966 -0.781312
C -1.846104 -0.331027 -1.655429
C -2.784113 0.377661 0.488190
C -5.344998 -0.667278 -0.385145
C -6.510360 -1.308771 -1.134197
H 1.536973 1.908362 -1.502525
H 0.852624 1.846672 1.253521
H 3.828006 -2.005652 -1.247027
H 2.675567 -2.878544 -0.184595
H 3.712585 2.832257 -0.663826
H 2.310738 3.624852 0.124147
H 3.275292 2.393278 1.013615
H 1.898643 -0.678385 0.632698
H 5.059582 -3.127031 0.573429
H 5.208687 -1.362576 0.732458
H 0.256640 0.050476 -1.969494
H -1.399321 1.347720 1.847159
H 3.433640 -1.373381 2.561811
H 4.790918 -2.447298 2.988545
H 3.262918 -3.146489 2.383117
H -1.991253 -0.804057 -2.631714
H -3.619800 0.475157 1.187644
H -5.555035 0.398130 -0.152667
H -5.138796 -1.199933 0.567330
H -7.427413 -1.269753 -0.518347
H -6.701837 -0.778253 -2.082541
H -6.288441 -2.364254 -1.366836


