%chk=000133919.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133919

0 1
 O   -1.187400       2.492500      -1.272300    
 O  -0.1432000      -4.485500      0.2906000    
 O    1.492700       2.084900     -0.5583000    
 O    3.596700     -0.8580000     -0.4135000    
 N   -3.672000       2.501400     -0.1038000    
 N  -0.3900000       1.189600      0.4883000    
 N    3.180900      0.8377000       1.120500    
 N    6.018100      0.2944000      -1.027900    
 C   -2.789100       1.363100      0.1556000    
 C   -3.300200      0.1283000     -0.6022000    
 C   -2.457700      -1.102900     -0.3644000    
 C   -1.387300       1.750000     -0.3130000    
 C   -2.763000      -1.963400      0.6901000    
 C   -1.374500      -1.379300      -1.198900    
 C   -3.520200       3.514700      0.9280000    
 C   -1.985500      -3.100200      0.9101000    
 C  -0.5969000      -2.516000     -0.9788000    
 C   0.9807000       1.391100      0.3163000    
 C  -0.9024000      -3.376500      7.5700000E-02
 C    1.783700      0.5875000       1.316900    
 C    3.987600      9.0200000E-02  0.2637000    
 C    5.428900      0.5566000      0.2773000    
 H   -2.777800       1.129700       1.228700    
 H   -3.332400      0.3284000      -1.682500    
 H   -4.336700     -9.2000000E-02 -0.3124000    
 H   -4.642800       2.188300     -0.1053000    
 H   -3.602800      -1.757100       1.348200    
 H   -1.127400     -0.7208000      -2.027400    
 H  -0.6800000      0.5866000       1.254400    
 H   -2.501600       3.913800      0.9658000    
 H   -3.789900       3.129400       1.917000    
 H   -4.186700       4.354900      0.7083000    
 H   -2.233300      -3.762100       1.735600    
 H   0.2457000      -2.725800      -1.631900    
 H    1.570100     -0.4782000       1.186100    
 H    1.520600      0.8959000       2.333100    
 H    3.594700       1.607900       1.637700    
 H    5.966300      1.4600000E-02   1.061600    
 H    5.482600       1.628900      0.4895000    
 H  -0.4961000      -4.964700       1.059900    
 H    6.991700      0.5963000      -1.024400    
 H    6.036500     -0.7104000      -1.199600    


%chk=000133919-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000133919

0 1
O -1.307574 3.490098 0.107326
O -0.026357 -4.498012 0.947811
O 1.446756 2.985319 0.969550
O 3.192064 -1.135142 -0.255666
N -3.841159 2.323579 -0.225057
N -0.376012 1.473068 0.899392
N 3.216532 0.824476 1.006779
N 5.470396 -0.436042 -1.612252
C -2.740225 1.452166 0.164647
C -2.533305 0.350319 -0.942661
C -1.878813 -0.934987 -0.451410
C -1.433646 2.277290 0.372478
C -2.602798 -1.836024 0.373365
C -0.539060 -1.273990 -0.787196
C -4.311503 3.322191 0.748689
C -2.017994 -3.028951 0.847828
C 0.071424 -2.452532 -0.308099
C 0.969536 1.831467 1.100244
C -0.676099 -3.334357 0.506108
C 1.862610 0.641240 1.527865
C 3.776997 -0.067667 0.111234
C 5.187049 0.298486 -0.382270
H -2.930185 0.920735 1.138115
H -1.969925 0.791181 -1.783731
H -3.543417 0.110381 -1.331389
H -4.594093 1.815234 -0.697813
H -3.642890 -1.609356 0.639611
H 0.045503 -0.606029 -1.430973
H -0.591537 0.472360 0.990785
H -3.526544 4.078242 0.913917
H -4.596114 2.885919 1.737765
H -5.193256 3.841289 0.335005
H -2.601321 -3.715643 1.475377
H 1.115556 -2.676935 -0.542501
H 1.492426 -0.325931 1.145918
H 1.869496 0.596672 2.635850
H 3.632988 1.751674 1.129029
H 5.885257 0.066620 0.460027
H 5.237013 1.396914 -0.539560
H -0.629260 -5.054432 1.501181
H 6.455774 -0.583035 -1.830156
H 4.876311 -1.264054 -1.722762


