%chk=000118468.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118468

0 1
 O    1.160200       2.327400     -0.7259000    
 O   -5.538200     -0.4411000     -0.3448000    
 O   -3.522400      -1.509200     -0.6804000    
 N   -1.303300      0.9936000      8.5800000E-02
 C   -2.185700      0.3511000      0.9145000    
 C  -5.8600001E-02  0.6951000      0.4960000    
 C   -1.454100     -0.3522000       1.845800    
 C  -8.3800003E-02 -0.1241000       1.567400    
 C   -3.649500      0.4620000      0.7480000    
 C    1.154800       1.216900     -0.1686000    
 C   -1.669800       1.841300      -1.029200    
 C    2.393500      0.4550000     -0.1779000    
 C    2.354600     -0.9391000     -0.1527000    
 C    3.620300       1.117800     -0.2136000    
 C   -4.193200     -0.6202000     -0.1738000    
 C    4.769200      -1.007500     -0.1986000    
 C    3.542400      -1.670300     -0.1632000    
 C    4.808100      0.3866000     -0.2239000    
 C    6.039300      -1.789000     -0.2094000    
 C   -6.183800      -1.393900      -1.195600    
 H   -1.860500     -0.9598000       2.642600    
 H   0.7509000     -0.5177000       2.130400    
 H   -4.132300      0.3279000       1.724100    
 H   -3.948700       1.445100      0.3714000    
 H  -0.9682000       1.681300      -1.851700    
 H   -2.663600       1.583200      -1.398900    
 H   -1.646400       2.880000     -0.6914000    
 H    1.421800      -1.494900     -0.1723000    
 H    3.674200       2.203300     -0.2282000    
 H    3.499200      -2.756300     -0.1553000    
 H    5.757700      0.9143000     -0.2522000    
 H    6.845300      -1.239800      0.2893000    
 H    5.923200      -2.739600      0.3224000    
 H    6.342700      -1.998600      -1.239800    
 H   -6.083900      -2.401200     -0.7803000    
 H   -5.762200      -1.347400      -2.204300    
 H   -7.245700      -1.139200      -1.247000    


%chk=000118468-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000118468

0 1
O 1.239029 2.300559 -0.941274
O -5.278911 -1.002915 0.197978
O -4.291836 0.010139 -1.651894
N -1.364223 1.166663 -0.083863
C -2.309393 0.576294 0.749804
C -0.081665 0.682250 0.262089
C -1.640582 -0.282234 1.649262
C -0.255025 -0.221774 1.344000
C -3.791043 0.838791 0.635239
C 1.170902 1.174255 -0.330471
C -1.694393 2.102226 -1.181200
C 2.413958 0.338282 -0.191806
C 2.400441 -1.080357 -0.145664
C 3.669034 1.005839 -0.195841
C -4.454987 -0.059278 -0.412060
C 4.863776 -1.143467 -0.067196
C 3.610585 -1.805928 -0.087783
C 4.869692 0.278043 -0.124238
C 6.165500 -1.921397 0.000210
C -5.950886 -1.959899 -0.718819
H -2.120044 -0.867177 2.432417
H 0.553537 -0.721778 1.872732
H -4.267457 0.655778 1.610180
H -3.984248 1.887816 0.344489
H -0.795041 2.269141 -1.787204
H -2.506552 1.678557 -1.794098
H -2.002063 3.081185 -0.770036
H 1.447388 -1.617039 -0.191742
H 3.672833 2.098786 -0.264377
H 3.581823 -2.902046 -0.068374
H 5.828337 0.811517 -0.116882
H 6.743367 -1.657195 0.906061
H 5.987536 -3.010095 0.018845
H 6.810551 -1.698227 -0.870381
H -5.197931 -2.545134 -1.272367
H -6.587722 -1.416162 -1.436320
H -6.550787 -2.603221 -0.060715


