%chk=000227333.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227333

0 1
 O   -1.603600      -2.392600      -2.101700    
 O    1.603600       2.393000      -2.101300    
 O   0.3772000      -1.782400      -1.378200    
 O  -0.3771000       1.782600      -1.377900    
 N  -0.8721000      -1.692900      -1.363800    
 N   0.8721000       1.693100      -1.363500    
 C  -0.7257000      4.5100000E-02  0.3729000    
 C   0.7256000     -4.5100000E-02  0.3729000    
 C   -1.359700      0.9439000       1.230800    
 C    1.359700     -0.9440000       1.230700    
 C   -1.483400     -0.7610000     -0.4765000    
 C    1.483400      0.7611000     -0.4765000    
 C   -2.751500       1.036600       1.239000    
 C    2.751400      -1.036800       1.238800    
 C   -3.509200      0.2306000      0.3895000    
 C    3.509300     -0.2306000      0.3895000    
 C   -2.875100     -0.6683000     -0.4682000    
 C    2.875100      0.6683000     -0.4681000    
 C  -0.5845000       1.826500       2.156800    
 C   0.5845000      -1.826900       2.156600    
 C   -4.997300      0.3294000      0.3991000    
 C    4.997400     -0.3295000      0.3991000    
 H   -3.251000       1.737100       1.904200    
 H    3.251000      -1.737400       1.903800    
 H   -3.493000      -1.282000      -1.119700    
 H    3.493000       1.282100      -1.119700    
 H   1.3500000E-02   1.236300       2.857800    
 H   6.9600001E-02   2.502400       1.597000    
 H   -1.246500       2.456900       2.761500    
 H  -6.9300003E-02  -2.503000       1.596500    
 H    1.246400      -2.457100       2.761400    
 H  -1.3800000E-02  -1.236800       2.857300    
 H   -5.366800      0.6868000       1.366400    
 H   -5.332600       1.021800     -0.3795000    
 H   -5.457100     -0.6490000      0.2232000    
 H    5.366800     -0.6855000       1.366800    
 H    5.332500      -1.023000     -0.3785000    
 H    5.457200      0.6486000      0.2217000    


%chk=000227333-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227333

0 1
O -1.834009 -2.709912 -1.867254
O 1.832613 2.710371 -1.866562
O 0.201156 -1.701538 -1.743580
O -0.202017 1.700968 -1.742168
N -1.044036 -1.793051 -1.410358
N 1.043303 1.792977 -1.409573
C -0.750068 0.054797 0.283727
C 0.750162 -0.055244 0.283812
C -1.373014 0.987432 1.168570
C 1.373252 -0.987818 1.168650
C -1.604868 -0.799053 -0.462107
C 1.604766 0.798978 -0.461706
C -2.784973 1.041382 1.243736
C 2.785215 -1.041496 1.243834
C -3.626216 0.194794 0.478266
C 3.626313 -0.194668 0.478446
C -3.011747 -0.742819 -0.375585
C 3.011677 0.742981 -0.375243
C -0.539317 1.937137 2.010526
C 0.539739 -1.937776 2.010514
C -5.136646 0.311651 0.555290
C 5.136761 -0.311263 0.555497
H -3.244241 1.772416 1.920793
H 3.244614 -1.772516 1.920822
H -3.601345 -1.432008 -0.986374
H 3.601140 1.432412 -0.985873
H 0.243577 1.407120 2.582930
H -0.022225 2.683057 1.377902
H -1.173314 2.488921 2.724368
H 0.022809 -2.683759 1.377830
H 1.173850 -2.489494 2.724304
H -0.243268 -1.407988 2.582975
H -5.463640 0.700230 1.535412
H -5.516074 1.006757 -0.218231
H -5.628377 -0.662385 0.389373
H 5.463911 -0.698153 1.536241
H 5.516157 -1.007670 -0.216873
H 5.628379 0.662529 0.387868


