%chk=000054697.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054697

0 1
 O    1.376600       2.073400       1.881300    
 O   -6.433000     -0.4968000       1.481200    
 O   0.3474000      -4.362500      -2.178200    
 O   -1.132100      -3.762900     -0.5642000    
 N   -1.853400      0.6387000      0.3546000    
 N   0.4706000      0.2001000      0.8108000    
 N   -2.631200       1.747800      -1.526800    
 N  -0.8400000       2.638800     -0.4554000    
 C  -0.8601000      0.3896000       1.397600    
 C   -2.900200     -0.3585000      0.1804000    
 C   -1.734100       1.680400     -0.5032000    
 C   0.6422000     -0.9637000     -6.0199998E-02
 C   -4.167900      4.6999998E-02  0.9231000    
 C    1.025900      -2.227800      0.7077000    
 C   -2.375500       2.894800      -2.343800    
 C   -1.166600       3.508400      -1.626100    
 C    1.497500       1.089900       1.151900    
 C    1.254100      -3.453500     -0.1807000    
 C   -5.294600     -0.9682000      0.7725000    
 C    2.846300      0.8342000      0.6233000    
 C   2.2100000E-02  -3.868000     -0.9549000    
 C    3.230600       1.380800     -0.6011000    
 C    3.741200      4.5600001E-02   1.346600    
 C    4.509700       1.138600      -1.102400    
 C    5.020300     -0.1963000      0.8453000    
 C    5.404300      0.3502000     -0.3792000    
 H   -1.095600     -0.5017000       1.990300    
 H  -0.8572000       1.233800       2.095800    
 H   -2.561100      -1.321300      0.5859000    
 H   -3.101900     -0.5813000     -0.8736000    
 H  -0.2750000      -1.121300     -0.6347000    
 H    1.418800     -0.7504000     -0.8009000    
 H   -3.950200      0.1875000       1.990000    
 H   -4.520900       1.025700      0.5739000    
 H   0.2368000      -2.457100       1.434900    
 H    1.932400      -2.056000       1.295400    
 H   -2.130500       2.608200      -3.370500    
 H   -3.228000       3.580200      -2.351900    
 H   -3.483000       1.212600      -1.630900    
 H  -0.2996000       3.560900      -2.293100    
 H   -1.391100       4.521300      -1.275600    
 H    1.565100      -4.308100      0.4297000    
 H    2.062300      -3.232000     -0.8875000    
 H   -5.002400      -1.938900       1.185300    
 H   -5.566800      -1.094000     -0.2802000    
 H    2.540700       1.996200      -1.172800    
 H    3.455600     -0.3794000       2.305300    
 H   -7.134000      -1.161200       1.368500    
 H    4.808700       1.564000      -2.055900    
 H    5.717600     -0.8091000       1.409100    
 H    6.400200      0.1619000     -0.7693000    
 H  -0.4479000      -4.622800      -2.690100    


%chk=000054697-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054697

0 1
O 1.447132 1.485442 2.491024
O -6.368812 -0.713733 1.372874
O -0.279530 -4.980541 -1.795307
O -1.576930 -3.518261 -0.550729
N -1.741929 0.562879 0.168479
N 0.556378 0.043750 0.887994
N -2.620650 1.998887 -1.583137
N -0.525721 2.453403 -0.679263
C -0.823097 0.400697 1.300560
C -2.839199 -0.407423 -0.028737
C -1.594625 1.674242 -0.658765
C 0.732360 -1.120744 0.002839
C -4.118212 -0.081981 0.784268
C 0.788229 -2.450670 0.800220
C -2.261973 3.287698 -2.231175
C -0.807676 3.539042 -1.669738
C 1.607069 0.775766 1.446474
C 0.861968 -3.689447 -0.113357
C -5.196987 -1.152625 0.596342
C 2.938640 0.747278 0.738132
C -0.451591 -4.007928 -0.802547
C 3.024290 1.113182 -0.630926
C 4.121838 0.484588 1.470700
C 4.285209 1.190544 -1.262374
C 5.379777 0.544495 0.831637
C 5.463957 0.894383 -0.537101
H -1.254771 -0.377213 1.959612
H -0.722770 1.336164 1.876585
H -2.470333 -1.412338 0.247371
H -3.074974 -0.454588 -1.109271
H -0.107219 -1.137319 -0.716262
H 1.662005 -1.006445 -0.578035
H -3.872934 -0.008288 1.860518
H -4.538570 0.898879 0.488251
H -0.098785 -2.531367 1.455432
H 1.678735 -2.432709 1.455789
H -2.276103 3.200133 -3.332263
H -2.962907 4.093252 -1.935844
H -3.598892 1.797159 -1.369882
H -0.058592 3.499016 -2.483022
H -0.716612 4.528876 -1.185511
H 1.143679 -4.588396 0.470057
H 1.644368 -3.581810 -0.888369
H -4.824434 -2.135869 0.957366
H -5.454926 -1.254521 -0.481375
H 2.103174 1.377800 -1.164464
H 4.046970 0.253990 2.539061
H -7.077156 -1.403843 1.320366
H 4.350071 1.491104 -2.314367
H 6.292253 0.331725 1.399944
H 6.441349 0.950198 -1.030016
H -1.159443 -5.188714 -2.212861


