%chk=000060832.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060832

0 1
 O    2.002500      -1.057100     -0.3538000    
 O   -2.142200       2.018800      -1.824700    
 N  -0.8169000      0.3291000     -0.1023000    
 N   -4.204600       1.298300      -1.114400    
 N    2.162200      0.5633000       1.222700    
 C   -4.437200     -0.3428000      0.5624000    
 C    3.302000     -0.6400000     -0.3092000    
 C    3.395900      0.3514000      0.6563000    
 C   -2.179400      0.3491000     -0.1299000    
 C  -5.2999999E-02 -0.5257000      0.7703000    
 C   -5.008000      0.5071000     -0.3151000    
 C    1.419800     -0.2858000      0.5864000    
 C   -2.985800     -0.4058000      0.6330000    
 C   -5.154500      -1.254100       1.516300    
 C    4.364700      -1.101300      -1.076300    
 C    4.641800      0.9485000      0.8957000    
 C   -2.821900       1.296500      -1.097500    
 C    5.600500     -0.4955000     -0.8251000    
 C    5.738900      0.5090000      0.1408000    
 C   -6.479900      0.6944000     -0.5418000    
 C   -5.418100      -2.612700      0.8990000    
 C    4.233500      -2.167600      -2.106000    
 C    4.839800       2.022700       1.913200    
 H  -0.3014000     -0.3246000       1.819400    
 H  -0.2712000      -1.581100      0.5670000    
 H   -2.568200      -1.111200       1.346000    
 H   -4.584100      -1.374600       2.446000    
 H   -6.107000     -0.8096000       1.827500    
 H  -0.3324000      0.9516000     -0.7415000    
 H   -4.668400       1.928400      -1.763300    
 H    6.479000     -0.8052000      -1.387600    
 H    6.720200      0.9507000      0.3008000    
 H   -6.722100      0.5572000      -1.601500    
 H   -6.783000       1.704700     -0.2475000    
 H   -7.092700     -1.5200000E-02  1.9700000E-02
 H   -5.951700      -3.252500       1.609600    
 H   -4.484600      -3.118700      0.6301000    
 H   -6.032700      -2.530800     -3.8000001E-03
 H    4.522600      -1.782300      -3.089200    
 H    4.877000      -3.017100      -1.855800    
 H    3.205500      -2.536200      -2.179800    
 H    5.563900       1.700700       2.668600    
 H    5.208100       2.935500       1.433900    
 H    3.905100       2.267700       2.427500    


%chk=000060832-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060832

0 1
O 1.914369 -0.367704 -0.605165
O -2.011312 0.547617 -2.718720
N -0.809325 0.134223 -0.292208
N -4.135766 0.267933 -1.756583
N 2.353712 0.303584 1.568812
C -4.482000 -0.221162 0.567476
C 3.320738 -0.199377 -0.481654
C 3.587251 0.202643 0.857478
C -2.187867 0.069276 -0.345554
C -0.056014 -0.160797 0.916887
C -5.021884 0.009763 -0.697520
C 1.421077 -0.034648 0.699534
C -3.048761 -0.189019 0.726512
C -5.341761 -0.555464 1.779171
C 4.292276 -0.386587 -1.474841
C 4.909469 0.447295 1.293827
C -2.738720 0.313113 -1.689053
C 5.616317 -0.140189 -1.021522
C 5.912423 0.259435 0.308554
C -6.485389 -0.003665 -1.077576
C -5.620381 -2.076162 1.920069
C 3.962974 -0.809659 -2.892259
C 5.214443 0.879783 2.713010
H -0.324293 0.526315 1.745329
H -0.284187 -1.191171 1.280033
H -2.638985 -0.365644 1.727864
H -4.825446 -0.200724 2.691790
H -6.304161 -0.011286 1.744472
H -0.332005 0.275900 -1.188399
H -4.517976 0.441784 -2.691788
H 6.440584 -0.265805 -1.734042
H 6.959209 0.431930 0.586177
H -6.713025 -0.824789 -1.786016
H -6.787620 0.945930 -1.561794
H -7.125997 -0.144753 -0.194566
H -6.210761 -2.289868 2.830386
H -4.674056 -2.643368 1.981316
H -6.181602 -2.458473 1.047852
H 4.312340 -0.056394 -3.622163
H 4.454966 -1.766632 -3.146458
H 2.877544 -0.937942 -3.031718
H 5.904929 0.171811 3.208013
H 5.697233 1.874777 2.732341
H 4.289443 0.935368 3.308799


