%chk=000117182.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117182

0 1
 O   0.1306000     -8.4200002E-02 -5.0999999E-02
 O    1.711400       3.028000     -0.3779000    
 O   -1.303700     -0.2606000       1.734200    
 N   -1.958500     -0.8511000     -0.4117000    
 C    2.452900      0.7153000      4.1800000E-02
 C    2.988000     -0.5391000     -0.7108000    
 C    1.146400      0.4073000      0.8123000    
 C    2.206600       1.846300     -0.9925000    
 C    3.498100       1.232700       1.050000    
 C    3.293200      -1.758300      0.1677000    
 C    3.756200      -2.940000     -0.6732000    
 C   -1.070800     -0.3882000      0.5366000    
 C   -3.312500      -1.256400     -0.1125000    
 C   -4.235200     -7.7399999E-02 -0.2349000    
 C   -4.351100      0.5627000      -1.589100    
 C   -4.951600      0.3631000      0.8110000    
 H    3.902500     -0.2641000      -1.253700    
 H    2.259200     -0.8327000      -1.477900    
 H   0.7795000       1.317100       1.304900    
 H    1.334500     -0.3295000       1.602400    
 H    3.137400       2.100600      -1.512500    
 H    1.478100       1.527500      -1.746500    
 H    3.688200      0.5029000       1.843900    
 H    4.452600       1.444200      0.5553000    
 H    3.166700       2.153700       1.542500    
 H    2.403200      -2.065200      0.7256000    
 H    4.074900      -1.520200      0.8959000    
 H    3.972200      -3.800000     -3.1399999E-02
 H    2.984900      -3.237400      -1.390800    
 H    4.666800      -2.693400      -1.228400    
 H    1.583500       3.685000      -1.083200    
 H   -1.643400     -0.9004000      -1.376000    
 H   -3.594200      -2.035400     -0.8288000    
 H   -3.338600      -1.695300      0.8911000    
 H   -3.397800       1.007900      -1.890900    
 H   -4.640600     -0.1823000      -2.337500    
 H   -5.105600       1.356500      -1.604800    
 H   -4.876800     -0.1081000       1.785400    
 H   -5.627800       1.206500      0.7179000    


%chk=000117182-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000117182

0 1
O 0.196284 -0.018725 0.003590
O 1.880205 3.103132 -0.175721
O -1.248950 -0.252298 1.856403
N -1.907208 -0.813108 -0.331846
C 2.526403 0.753537 0.091333
C 2.963976 -0.502219 -0.724639
C 1.253466 0.490065 0.921612
C 2.248886 1.888977 -0.924477
C 3.637758 1.204867 1.075846
C 3.235141 -1.787593 0.090720
C 3.674811 -2.957994 -0.816581
C -1.024403 -0.350570 0.623142
C -3.291205 -1.185626 0.012206
C -4.320427 -0.096390 -0.296143
C -4.436072 0.329540 -1.748051
C -5.087757 0.432585 0.691158
H 3.884083 -0.240887 -1.289665
H 2.180592 -0.727326 -1.476194
H 0.895785 1.424118 1.387202
H 1.426158 -0.261391 1.712268
H 3.166403 2.069529 -1.525728
H 1.424986 1.578285 -1.599719
H 3.803090 0.457604 1.872745
H 4.593440 1.342362 0.535964
H 3.370835 2.166629 1.545556
H 2.320799 -2.081577 0.641632
H 4.019182 -1.601077 0.850073
H 3.859791 -3.876593 -0.230019
H 2.896577 -3.187831 -1.568837
H 4.605500 -2.711167 -1.362088
H 1.539280 3.787629 -0.801772
H -1.584618 -0.846293 -1.298684
H -3.546979 -2.108711 -0.547063
H -3.303209 -1.422684 1.088855
H -3.487252 0.774647 -2.107502
H -4.657877 -0.536653 -2.403577
H -5.232516 1.079326 -1.889612
H -4.970368 0.123861 1.736248
H -5.845186 1.198023 0.483862


