%chk=000130769.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130769

0 1
 O    2.806400       1.049900     -0.8945000    
 O   -2.070600       3.066500     -0.3407000    
 O   -6.596900      0.3508000      0.6094000    
 N    5.188400      0.4263000      0.5274000    
 C   -1.077300     -0.3026000     -0.1709000    
 C  -0.7484000       1.059800     -0.3518000    
 C   -2.524000     -0.3811000      5.7500001E-02
 C  -4.3299999E-02  -1.262800     -0.2369000    
 C   -3.071500      0.9163000      1.6799999E-02
 C    1.281500     -0.7887000     -0.4849000    
 C   -1.977800       1.862600     -0.2409000    
 C    1.540200      0.5886000     -0.6563000    
 C   0.5234000       1.531700     -0.5913000    
 C   -3.392100      -1.436100      0.2908000    
 C  -0.2102000      -2.657800     -7.7600002E-02
 C   -4.412300       1.206800      0.1939000    
 C    2.349900      -1.696600     -0.5613000    
 C    3.345000       1.965300      5.3300001E-02
 C   -4.759800      -1.174600      0.4746000    
 C   -5.265100      0.1338000      0.4267000    
 C   0.8678000      -3.543400     -0.1580000    
 C    4.852800       1.779400      0.1098000    
 C    2.146200      -3.063900     -0.3994000    
 C    4.606500      0.1292000       1.838600    
 C    6.641100      0.2408000      0.5656000    
 H   0.7109000       2.590200     -0.7312000    
 H   -3.067100      -2.465900      0.3396000    
 H   -1.180600      -3.096500      0.1128000    
 H   -4.777700       2.226700      0.1521000    
 H    3.364900      -1.363500     -0.7628000    
 H    3.138400       2.979600     -0.3104000    
 H    2.868900       1.883700       1.037700    
 H   -5.436200      -2.006800      0.6574000    
 H    5.260200       1.951800     -0.8944000    
 H    5.289600       2.530800      0.7796000    
 H   0.7023000      -4.609600     -3.1399999E-02
 H    2.984200      -3.751300     -0.4649000    
 H    3.518900      2.3900000E-02   1.800000    
 H    4.867500      0.8831000       2.590500    
 H    4.968900     -0.8403000       2.202000    
 H    7.123500      0.9038000       1.293000    
 H    7.079100      0.4324000     -0.4204000    
 H    6.890600     -0.7948000      0.8221000    
 H   -6.771900       1.305400      0.5449000    


%chk=000130769-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000130769

0 1
O 2.922921 0.327151 -0.210102
O -1.873457 2.932928 0.634339
O -6.850496 0.481816 0.379475
N 5.617378 0.938255 1.092803
C -1.245750 -0.527995 -0.136105
C -0.765448 0.777581 0.114723
C -2.741620 -0.503156 -0.049215
C -0.301167 -1.573763 -0.407490
C -3.144206 0.834100 0.257257
C 1.116499 -1.236515 -0.413679
C -1.918595 1.697394 0.373525
C 1.542880 0.124497 -0.158694
C 0.603856 1.130433 0.109821
C -3.748593 -1.479077 -0.203173
C -0.665928 -2.937905 -0.670923
C -4.480351 1.215382 0.409920
C 2.084655 -2.257665 -0.668727
C 3.427335 1.679393 0.087445
C -5.111229 -1.115361 -0.053070
C -5.477258 0.214913 0.249844
C 0.300471 -3.914143 -0.921975
C 4.953417 1.643899 -0.021045
C 1.687686 -3.573863 -0.919122
C 5.627754 1.706251 2.351634
C 6.956406 0.433886 0.733244
H 0.881401 2.168460 0.310336
H -3.521133 -2.521234 -0.437600
H -1.719855 -3.221319 -0.674629
H -4.730382 2.257866 0.644964
H 3.142185 -1.981339 -0.654804
H 3.013641 2.394304 -0.653887
H 3.090078 1.983777 1.098044
H -5.905124 -1.859109 -0.169418
H 5.210349 1.130135 -0.965546
H 5.309093 2.704817 -0.119986
H -0.005790 -4.947321 -1.119263
H 2.438972 -4.347519 -1.111337
H 4.599337 1.966778 2.657041
H 6.218332 2.657114 2.284335
H 6.063873 1.088913 3.156505
H 7.696362 1.243246 0.502644
H 6.882150 -0.224833 -0.150060
H 7.361576 -0.164047 1.569204
H -7.007924 1.435775 0.588848


