%chk=000130327.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130327

0 1
 O    3.030700       1.513200      -1.250200    
 O   -4.637100     -0.1015000     -0.4314000    
 O   -3.455700      0.3262000       1.462700    
 N    1.601600       1.882400      0.5472000    
 N  -0.6314000      -4.599200     -0.3988000    
 C    2.354300     -0.9242000       1.135800    
 C    1.796700      -1.684000     -7.1199998E-02
 C    3.318100      0.1895000      0.7302000    
 C   0.8586000      -2.811000      0.3678000    
 C  -0.4099000       2.402100     -0.7998000    
 C   0.8065000       2.933100     -4.6100002E-02
 C   -1.381900       1.638200      0.1077000    
 C    2.649900       1.260400     -0.1093000    
 C   0.2744000      -3.544400     -0.8382000    
 C   -2.592300       1.105700     -0.6545000    
 C   -3.582300      0.4134000      0.2481000    
 H    1.525800     -0.5266000       1.732900    
 H    2.893500      -1.626700       1.783400    
 H    2.623800      -2.101200     -0.6582000    
 H    1.248300     -0.9969000     -0.7264000    
 H    4.160100     -0.2242000      0.1636000    
 H    3.731300      0.6671000       1.626100    
 H    1.407300      -3.516100       1.004700    
 H   4.5499999E-02  -2.392600      0.9748000    
 H  -0.9340000       3.245200      -1.265400    
 H  -7.8699999E-02   1.740700      -1.610000    
 H   0.4928000       3.599700      0.7642000    
 H    1.437800       3.510300     -0.7305000    
 H  -0.8664000      0.7971000      0.5878000    
 H   -1.716500       2.301400      0.9154000    
 H    1.386800       1.621100       1.504500    
 H    1.077500      -3.982200      -1.441200    
 H  -0.2772000      -2.843900      -1.474500    
 H   -3.111700       1.933200      -1.150500    
 H   -2.262100      0.3879000      -1.413500    
 H  -0.1226000      -5.273200      0.1717000    
 H  -0.9723000      -5.111900      -1.210900    
 H   -5.275000     -0.5472000      0.1658000    


%chk=000130327-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000130327

0 1
O 3.522138 2.144514 -0.299752
O -2.672415 -1.210638 -0.467892
O -0.943707 -0.282133 0.749472
N 1.342704 1.526510 0.211416
N -1.576650 -3.513559 -0.522462
C 2.293251 -1.104694 1.250225
C 1.789011 -1.837058 -0.015849
C 3.250682 0.072516 0.957623
C 0.701867 -2.885286 0.323218
C -0.648663 2.473326 -0.974227
C 0.776136 2.727512 -0.436556
C -1.744896 2.361068 0.131125
C 2.706785 1.317364 0.228823
C -0.121202 -3.342190 -0.904182
C -2.720196 1.186776 -0.098433
C -2.034090 -0.165537 0.097996
H 1.416396 -0.751661 1.827920
H 2.821392 -1.826200 1.906545
H 2.642673 -2.302249 -0.549727
H 1.349819 -1.089115 -0.703461
H 4.113568 -0.268866 0.355508
H 3.680420 0.445854 1.909209
H 1.150160 -3.760155 0.835338
H 0.007351 -2.395353 1.029973
H -0.906033 3.297757 -1.666360
H -0.627233 1.550495 -1.587319
H 0.764341 3.577137 0.278740
H 1.465845 3.015750 -1.250261
H -1.267336 2.223278 1.118901
H -2.319478 3.304789 0.186768
H 0.676090 0.844495 0.604312
H 0.279225 -4.277531 -1.341445
H -0.093329 -2.564700 -1.688996
H -3.567212 1.233532 0.615730
H -3.166857 1.209394 -1.109045
H -1.661534 -4.033347 0.364563
H -2.109064 -4.013035 -1.252101
H -2.155760 -2.227863 -0.401536


