%chk=000125442.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125442

0 1
 O   0.4420000       1.989400      0.4425000    
 O    1.416000      -1.815000     -0.1701000    
 O    2.926700       2.726400      0.1818000    
 N   -3.801700      0.1256000     -0.1812000    
 N  -0.1076000      0.1372000     -0.8424000    
 C   -2.367900     -0.1066000      4.1400000E-02
 C   -2.277500      -1.633300      9.3599997E-02
 C   -3.665100      -2.104800      0.5151000    
 C   -4.479500     -0.8344000      0.6936000    
 C   -1.483800      0.4749000      -1.054400    
 C   -4.216400       1.493800      0.1052000    
 C   -5.700300       1.684700     -0.1306000    
 C   0.7597000      0.9339000     -9.9200003E-02
 C    2.163200      0.4582000      5.4000001E-03
 C    2.416400     -0.8993000     -3.6400001E-02
 C    3.176800       1.387100      0.1406000    
 C    3.734700      -1.345100      6.0800001E-02
 C    4.494900      0.9412000      0.2378000    
 C    4.773900     -0.4248000      0.1980000    
 C    1.795600      -3.189100     -0.2013000    
 H   -2.062200      0.2905000       1.020400    
 H   -1.516800      -1.960600      0.8110000    
 H   -2.026500      -2.071100     -0.8802000    
 H   -4.096000      -2.735000     -0.2719000    
 H   -3.631300      -2.694900       1.436500    
 H   -5.521800      -1.008100      0.4081000    
 H   -4.448800     -0.5214000       1.745400    
 H   -1.573900       1.565600      -1.094600    
 H   -1.765900      8.3899997E-02  -2.038800    
 H   -3.968600       1.785700       1.133500    
 H   -3.687300       2.185500     -0.5598000    
 H   0.2364000     -0.7042000      -1.293800    
 H   -5.994300       1.348600      -1.130900    
 H   -6.310100       1.155000      0.6080000    
 H   -5.954400       2.747500     -5.2800000E-02
 H    4.028700      -2.388700      3.7400000E-02
 H    5.309300       1.652700      0.3448000    
 H    5.800800     -0.7707000      0.2738000    
 H    1.998900       2.910400     -3.2900002E-02
 H    2.258400      -3.502400      0.7407000    
 H    2.421000      -3.416200      -1.071400    
 H   0.8758000      -3.773200     -0.3117000    


%chk=000125442-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000125442

0 1
O 0.158188 1.762757 -0.231754
O 1.903318 -2.064684 -0.685947
O 2.382229 2.679508 0.335021
N -3.844081 0.244300 0.075206
N -0.205019 -0.457895 -0.759679
C -2.471513 -0.281970 0.350967
C -2.689712 -1.719774 0.910131
C -4.166999 -2.049061 0.565181
C -4.845798 -0.669010 0.677595
C -1.644480 -0.230858 -0.965482
C -4.022947 1.686981 0.343068
C -5.301060 2.256657 -0.299498
C 0.633636 0.555217 -0.392186
C 2.086419 0.297399 -0.186622
C 2.732482 -0.974750 -0.325951
C 2.912611 1.425173 0.180364
C 4.116529 -1.131879 -0.116765
C 4.308186 1.264143 0.391264
C 4.891960 0.000128 0.241879
C 2.516737 -3.385665 -0.853150
H -1.940270 0.348845 1.097462
H -2.549425 -1.726567 2.006622
H -1.976071 -2.447883 0.483141
H -4.253742 -2.421478 -0.471906
H -4.610533 -2.799273 1.242230
H -5.806426 -0.620698 0.134125
H -5.048606 -0.423009 1.752238
H -1.778484 0.765401 -1.420000
H -2.028768 -0.989919 -1.670269
H -4.038277 1.892785 1.445591
H -3.141457 2.217794 -0.062988
H 0.216678 -1.389268 -0.859737
H -5.295919 2.071775 -1.388342
H -6.211763 1.795289 0.124058
H -5.365443 3.346613 -0.126618
H 4.599956 -2.105158 -0.225808
H 4.891936 2.146014 0.666583
H 5.968512 -0.121666 0.403958
H 1.350074 2.588818 0.136249
H 2.975461 -3.731267 0.091688
H 3.274126 -3.370283 -1.658555
H 1.689254 -4.054682 -1.132363


