%chk=000105257.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105257

0 1
 O    2.726000      -1.154300      0.2897000    
 O   -3.485100      -2.099600      0.2932000    
 O    4.540200      0.2151000     -7.4600004E-02
 N    3.754100       2.409300      -1.512300    
 N   -5.313500     -0.5675000      -1.199700    
 C  -0.9985000       1.894300       1.580500    
 C   0.2479000       2.022800      0.7718000    
 C   -2.145700       1.235000      0.8415000    
 C    1.199300       1.002800      0.7882000    
 C    2.347200       1.144600      3.1599998E-02
 C    2.725000      -3.528700      0.5979000    
 C   0.4625000       3.164300     -3.0000001E-04
 C    2.580000       2.266100     -0.7398000    
 C    3.575900      -2.291300      0.3499000    
 C    1.712700      -3.750300     -0.5222000    
 C   -2.288500     -0.1390000      0.9076000    
 C   -3.022400       2.023600      0.1189000    
 C    1.628500       3.286000     -0.7561000    
 C   -3.344700     -0.7454000      0.2276000    
 C    3.340200      4.1600000E-02  7.1300000E-02
 C   -4.239800      3.2900002E-02 -0.5066000    
 C   -4.078600       1.417200     -0.5610000    
 C   0.8943000      -5.010800     -0.2923000    
 C   -2.817200      -2.868700     -0.7048000    
 H   -1.315900       2.883700       1.938700    
 H  -0.7905000       1.336200       2.504200    
 H    1.024400      0.1275000       1.408000    
 H    2.184800      -3.413000       1.545600    
 H    3.378400      -4.403500      0.6928000    
 H  -0.2697000       3.967100     -2.1800000E-02
 H    4.291100      -2.170500       1.171600    
 H    4.127700      -2.393200     -0.5920000    
 H    2.232800      -3.832100      -1.483700    
 H    1.030000      -2.895900     -0.5953000    
 H   -1.593100     -0.7471000       1.479700    
 H   -2.905700       3.102200      7.1199998E-02
 H    1.783000       4.181200      -1.353300    
 H   -4.769000       2.035100      -1.129500    
 H    1.538000      -5.895300     -0.2513000    
 H   0.3340000      -4.948600      0.6460000    
 H   0.1767000      -5.150400      -1.107000    
 H    3.889800       3.243800      -2.067600    
 H    4.453800       1.680500      -1.531700    
 H   -5.447300      -1.568800      -1.152200    
 H   -5.959900      4.4000000E-03  -1.726800    
 H   -3.165100      -2.594900      -1.705700    
 H   -1.733900      -2.728200     -0.6334000    
 H   -3.043800      -3.924400     -0.5325000    


%chk=000105257-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000105257

0 1
O 2.299970 -0.965417 -0.373258
O -2.959695 -2.547288 1.040430
O 4.319616 0.170905 -0.581945
N 4.315532 2.802639 -0.006112
N -3.818549 -2.352956 -1.479783
C -1.375365 2.263673 1.017229
C 0.125521 2.384859 0.715847
C -2.062630 1.072975 0.362661
C 0.902830 1.280468 0.333540
C 2.302507 1.380827 0.089017
C 1.968704 -3.347261 -0.661073
C 0.787789 3.641177 0.849160
C 2.961351 2.656335 0.227582
C 2.988576 -2.215351 -0.802654
C 0.742253 -3.203890 -1.591646
C -2.203013 -0.156633 1.062527
C -2.528200 1.137949 -0.970917
C 2.162423 3.778525 0.613882
C -2.782043 -1.277389 0.439513
C 3.075037 0.193325 -0.312036
C -3.252905 -1.214474 -0.910253
C -3.115826 0.017123 -1.599324
C -0.299891 -4.321530 -1.375989
C -2.518829 -2.700779 2.424859
H -1.872313 3.202557 0.702883
H -1.511601 2.204599 2.117369
H 0.432064 0.303203 0.201871
H 1.633090 -3.395490 0.393931
H 2.490664 -4.303195 -0.874346
H 0.206477 4.526474 1.139347
H 3.878920 -2.364121 -0.164817
H 3.327699 -2.084683 -1.847862
H 1.084509 -3.208108 -2.647015
H 0.269640 -2.219495 -1.416656
H -1.845267 -0.222080 2.096242
H -2.423267 2.073665 -1.532768
H 2.642683 4.759305 0.718091
H -3.472248 0.092481 -2.633959
H 0.143409 -5.322729 -1.540102
H -0.703229 -4.289291 -0.346156
H -1.154518 -4.205325 -2.066977
H 4.759461 3.711429 0.093135
H 4.844983 1.971754 -0.295539
H -3.891090 -3.197225 -0.919283
H -4.179559 -2.339384 -2.427632
H -1.430849 -2.516952 2.522920
H -3.069566 -2.015315 3.098222
H -2.744858 -3.744090 2.691846


