%chk=000118366.chk
%nprocshared=8
%mem=28GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118366

0 1
 O   -3.096500      -1.345300       1.753900    
 O   -4.333500      -1.587500     -0.3000000    
 O    3.692800     -0.4573000     -5.4000001E-03
 O    1.113200      -1.487600     -2.6600000E-02
 O    3.697500       1.671300      0.8794000    
 O   0.5301000     -0.3065000      -1.919500    
 N  -0.2825000       2.177200     -0.1163000    
 C   -1.335500       1.214800     -0.1974000    
 C  -0.6763000       3.583100     -0.2941000    
 C   -2.663300     -0.4924000      0.7859000    
 C   -1.638800      0.4231000      0.9129000    
 C   -3.369700     -0.6307000     -0.3869000    
 C   -2.057100       1.073300      -1.395800    
 C   -3.090300      0.1386000      -1.497700    
 C    1.013300       1.865700      0.1564000    
 C   -1.052400       4.193200       1.042500    
 C   -4.155200      -2.035500       1.059100    
 C    1.712300      0.7514000     -0.1155000    
 C    3.139000      0.7446000      0.3106000    
 C    1.038500     -0.3782000     -0.8106000    
 C    5.062000     -0.6270000      0.3762000    
 C   0.5318000      -2.673700     -0.5777000    
 C    5.523700      -2.006200     -4.3800000E-02
 C   0.6967000      -3.808600      0.4104000    
 H   -1.514300       3.689000     -0.9930000    
 H   0.1526000       4.153700     -0.7331000    
 H   -1.096400      0.5204000       1.847500    
 H   -1.813300       1.681200      -2.264000    
 H   -3.646800      2.4300000E-02  -2.420800    
 H    1.524500       2.717900      0.5976000    
 H   -1.327200       5.245000      0.9145000    
 H  -0.2213000       4.146000       1.753900    
 H   -1.906000       3.674100       1.490800    
 H   -3.926500      -3.107400       1.047900    
 H   -5.092700      -1.881200       1.605500    
 H    5.675600      0.1352000     -0.1169000    
 H    5.153700     -0.5209000       1.462900    
 H  -0.5326000      -2.504000     -0.7732000    
 H    1.037600      -2.924600      -1.516800    
 H    4.905700      -2.778600      0.4260000    
 H    5.421600      -2.133300      -1.126600    
 H    6.568200      -2.171100      0.2347000    
 H   0.2652000      -4.734100      1.8900000E-02
 H   0.2091000      -3.565100       1.360200    
 H    1.756100      -3.976800      0.6304000    


%chk=000118366-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000118366

0 1
O -2.875036 -1.674782 1.379945
O -4.392922 -1.579174 -0.475296
O 3.795357 -0.465897 -0.128093
O 1.115242 -1.580515 0.196329
O 3.753417 1.676986 0.803150
O 0.646835 -0.635823 -1.884851
N -0.256228 2.243881 -0.259526
C -1.319558 1.269423 -0.366894
C -0.656017 3.679438 -0.152987
C -2.539825 -0.593535 0.523269
C -1.478806 0.298074 0.666166
C -3.434224 -0.538126 -0.567367
C -2.208335 1.320153 -1.467030
C -3.292735 0.411263 -1.581605
C 1.061135 1.919726 -0.034133
C -1.141041 4.057265 1.261357
C -4.181001 -2.175295 0.870458
C 1.722547 0.704272 -0.141467
C 3.144980 0.719435 0.244859
C 1.120944 -0.531254 -0.726238
C 5.242098 -0.544215 0.218457
C 0.615144 -2.898533 -0.297006
C 5.733726 -1.905165 -0.265791
C 0.269243 -3.730201 0.935310
H -1.454880 3.869587 -0.890770
H 0.211029 4.297729 -0.444808
H -0.793243 0.248623 1.514665
H -2.033181 2.047771 -2.265020
H -3.970708 0.436478 -2.437838
H 1.689996 2.759250 0.292124
H -1.438926 5.121225 1.290301
H -0.340913 3.902356 2.006765
H -2.013272 3.447794 1.556328
H -4.132246 -3.270299 0.773730
H -4.986103 -1.833583 1.548343
H 5.768450 0.294669 -0.272695
H 5.348937 -0.420248 1.311736
H -0.256381 -2.724205 -0.953175
H 1.421844 -3.352993 -0.901657
H 5.179863 -2.720846 0.229971
H 5.598467 -2.005904 -1.356386
H 6.808600 -2.021114 -0.034681
H -0.055348 -4.741360 0.626377
H -0.549960 -3.257877 1.504390
H 1.145637 -3.834952 1.597686


