%chk=000108086.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108086

0 1
 O    4.792800      0.3374000      0.4484000    
 O    4.144100      -1.661000       1.332200    
 O    2.640300       2.560800      -1.822800    
 O  -0.7807000      0.3770000       2.104500    
 O    2.663700       2.829700      0.4373000    
 O   -5.286500       1.044800      0.9861000    
 O   -5.753300     -1.9999999E-04 -0.9939000    
 N    2.517500      -2.019900     -0.8125000    
 N   -2.806500      0.3232000       1.010200    
 C    1.590500     -3.0900000E-02  0.1833000    
 C   0.5742000      -1.190900      0.1536000    
 C    2.857900     -0.6461000     -0.4391000    
 C    1.069900      -2.047700      -1.004000    
 C    1.167600       1.212300     -0.6056000    
 C  -0.8692000     -0.8261000      4.8799999E-02
 C    3.978200     -0.7416000      0.5443000    
 C   -1.463000      8.5000005E-03   1.150600    
 C   -1.658800      -1.201400     -0.9716000    
 C    2.224300       2.279600     -0.5612000    
 C   -3.050900     -0.8268000      -1.035500    
 C   -3.572200     -8.4700003E-02 -5.2499998E-02
 C   -4.979900      0.3039000     -0.1009000    
 H    1.769700      0.2616000       1.226800    
 H   0.7017000      -1.774400       1.078800    
 H    3.204500     -0.1308000      -1.341200    
 H   0.6902000      -3.074100     -0.9677000    
 H   0.8481000      -1.623700      -1.990300    
 H    2.741100      -2.653400     -4.3400001E-02
 H   0.9469000      0.9514000      -1.648200    
 H   0.2587000       1.668100     -0.2002000    
 H   -1.316300      -1.810100      -1.799800    
 H   -3.250500      0.8856000       1.730400    
 H   -3.625300      -1.167500      -1.889800    
 H    5.534900      0.2945000       1.088500    
 H    3.333700       3.254700      -1.832900    
 H   -6.226700       1.324800      0.9878000    


%chk=000108086-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000108086

0 1
O 4.464529 0.517246 1.045649
O 4.214696 -1.758649 1.447775
O 3.158513 2.205034 -1.954741
O -0.787204 -0.004428 2.296958
O 2.112906 3.271183 -0.174506
O -5.353353 0.876470 1.381858
O -5.889335 0.268025 -0.810100
N 2.609420 -2.058202 -0.840991
N -2.822750 0.129661 1.157024
C 1.591527 0.044146 0.011024
C 0.575574 -1.158828 0.062393
C 2.949531 -0.685623 -0.388296
C 1.139241 -2.124074 -1.016029
C 1.199493 1.137922 -1.025686
C -0.880668 -0.776756 -0.013765
C 3.921147 -0.739926 0.781936
C -1.446002 -0.202904 1.227579
C -1.692703 -0.944531 -1.134776
C 2.155551 2.313154 -0.974123
C -3.076828 -0.576900 -1.125109
C -3.620875 -0.039535 0.035580
C -5.046608 0.361337 0.109513
H 1.656041 0.517030 1.005521
H 0.734044 -1.622407 1.058131
H 3.433945 -0.103380 -1.194431
H 0.780166 -3.160361 -0.895588
H 0.868228 -1.789328 -2.037181
H 2.965887 -2.758380 -0.173104
H 1.183633 0.718837 -2.046529
H 0.196123 1.523492 -0.777588
H -1.272930 -1.373562 -2.050588
H -3.243326 0.531544 2.003463
H -3.719881 -0.704195 -1.998116
H 5.064382 0.467952 1.838358
H 3.797830 2.962276 -1.853842
H -6.309244 1.143258 1.420827


