%chk=000060833.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060833

0 1
 O   -1.951500     -8.5000005E-03  0.9275000    
 O   -1.968900       2.630400      5.6100000E-02
 O    6.714000      -1.699700     -0.1277000    
 N    5.168400     -0.4380000      0.9991000    
 N    4.758400      -1.167700      -1.196600    
 C   -4.143200     -0.1091000     -9.8300003E-02
 C   -4.473800      -2.240900      0.4553000    
 C   -4.824300     -0.8741000       1.040100    
 C   -2.714400     -0.6845000     -6.1999999E-02
 C   -2.940300      -2.151300      0.3401000    
 C   -4.869900     -0.6744000      -1.328900    
 C   -5.088900      -2.147600     -0.9521000    
 C  -0.7934000      0.5951000      0.5107000    
 C   0.3932000     -0.1300000      0.5302000    
 C  -0.8094000       1.915700      7.5800002E-02
 C    2.873900     -0.3094000      0.1272000    
 C    1.578300      0.4734000      0.1094000    
 C    3.924800      0.3122000       1.047700    
 C    3.493900     -0.4548000      -1.263100    
 C   0.3758000       2.519000     -0.3451000    
 C    1.569600       1.798000     -0.3282000    
 C    5.619800      -1.131700     -0.1120000    
 C   -1.892100       3.977800     -0.4050000    
 H   -4.198000      0.9772000     -5.7000001E-03
 H   -4.819400      -3.103600       1.028000    
 H   -5.902800     -0.6922000       1.096800    
 H   -4.370300     -0.6930000       2.019900    
 H   -2.233400     -0.6200000      -1.047100    
 H   -2.462600      -2.382600       1.298900    
 H   -2.552400      -2.843700     -0.4142000    
 H   -4.288800     -0.5659000      -2.250100    
 H   -5.835100     -0.1761000      -1.474100    
 H   -6.160900      -2.373500     -0.9249000    
 H   -4.614100      -2.829600      -1.664600    
 H   0.3889000      -1.161300      0.8735000    
 H    2.668200      -1.323000      0.5019000    
 H    4.169600       1.342600      0.7671000    
 H    3.584000      0.3215000       2.088800    
 H    2.833400      -1.013400      -1.935100    
 H    3.704400      0.5135000      -1.730300    
 H    2.481000       2.287300     -0.6603000    
 H   0.4442000       3.542500     -0.6972000    
 H    5.785200     -0.3837000       1.803800    
 H    5.069300      -1.657900      -2.029700    
 H   -1.262400       4.592400      0.2474000    
 H   -2.903700       4.393700     -0.3541000    
 H   -1.580400       4.028200      -1.453900    


%chk=000060833-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060833

0 1
O -1.705795 -0.623381 0.482088
O -2.041099 2.044986 -0.532846
O 7.226321 -1.284599 0.514771
N 5.383867 -0.130850 1.370373
N 5.341093 -0.978815 -0.830415
C -4.154247 -0.063648 0.438291
C -4.747431 -2.260307 0.231359
C -4.553076 -1.231800 1.385249
C -2.961965 -0.678861 -0.337441
C -3.360995 -2.184719 -0.477422
C -5.365185 -0.023434 -0.546920
C -5.794799 -1.534003 -0.665077
C -0.630270 0.180809 0.087212
C 0.655159 -0.372368 0.278510
C -0.740294 1.519126 -0.407696
C 3.199903 -0.297908 0.214302
C 1.838731 0.347309 -0.010043
C 4.056591 0.488796 1.241839
C 4.009389 -0.419265 -1.104476
C 0.437504 2.239571 -0.714662
C 1.711729 1.663431 -0.518453
C 6.053626 -0.817368 0.357780
C -2.167043 3.432350 -0.984145
H -3.904398 0.903677 0.895215
H -5.037761 -3.281255 0.528316
H -5.480157 -1.033153 1.952451
H -3.745631 -1.507612 2.085647
H -2.776957 -0.169949 -1.297963
H -2.609296 -2.797244 0.051057
H -3.399528 -2.516808 -1.530252
H -5.089284 0.417814 -1.522874
H -6.180292 0.592241 -0.126045
H -6.818839 -1.690033 -0.279362
H -5.772059 -1.903169 -1.706649
H 0.702212 -1.396076 0.665963
H 3.057254 -1.320245 0.613048
H 4.133302 1.549570 0.920242
H 3.553434 0.481851 2.226004
H 3.472366 -1.081733 -1.807927
H 4.080300 0.580005 -1.585237
H 2.601894 2.254218 -0.763554
H 0.368976 3.262756 -1.096446
H 5.918534 -0.024044 2.231735
H 5.845449 -1.483214 -1.558673
H -1.656312 4.128163 -0.290550
H -3.248258 3.634726 -0.984449
H -1.762767 3.563763 -2.006873


