%chk=000128318.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128318

0 1
 O   -2.025900      -2.763800     -0.4794000    
 O   -4.206800      0.5373000       1.868300    
 O    2.073300      -2.748200     -0.5188000    
 O    4.175900      0.5524000       1.900200    
 N   -1.475400      0.7305000     -0.3740000    
 N    1.469900      0.7362000     -0.3732000    
 N   -3.093700      -1.117100      0.7209000    
 N    3.101600      -1.102400      0.7168000    
 C  -0.7503000       1.765900      -1.157000    
 C   0.7395000       1.771900      -1.150900    
 C  -2.3300000E-02   2.846800     -0.4339000    
 C   -1.639900     -0.4985000      -1.151100    
 C   -2.777800       1.224500      7.4600004E-02
 C    1.661500     -0.4798000      -1.164500    
 C    2.759500       1.242700      9.7800002E-02
 C   -2.241600      -1.569600     -0.2742000    
 C   -3.413600      0.2047000      0.9878000    
 C    2.268500      -1.553700     -0.2947000    
 C    3.398800      0.2202000       1.005300    
 H   -1.234600       2.049000      -2.087900    
 H    1.228700       2.067800      -2.075600    
 H  -2.6900001E-02   3.838400     -0.8711000    
 H  -2.6600000E-02   2.845200      0.6498000    
 H  -0.7987000     -0.9227000      -1.650000    
 H   -2.363400     -0.3213000      -1.961100    
 H   -3.458300       1.431300     -0.7598000    
 H   -2.650900       2.146000      0.6548000    
 H    2.408100     -0.2751000      -1.947900    
 H   0.8495000     -0.8976000      -1.719000    
 H    2.611400       2.154200      0.6887000    
 H    3.447300       1.471400     -0.7248000    
 H   -3.524800      -1.822300       1.311900    
 H    3.535900      -1.809200       1.303600    


%chk=000128318-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128318

0 1
O -2.502305 -2.803654 -0.488465
O -4.137568 0.719047 2.054985
O 2.734044 -2.741988 -0.866131
O 3.824519 0.473101 2.302582
N -1.558529 0.720678 -0.514736
N 1.551190 0.689802 -0.529646
N -3.227977 -1.019479 0.810190
N 3.183308 -1.122531 0.739597
C -0.780589 1.664067 -1.288345
C 0.779313 1.663134 -1.273272
C -0.004718 2.735320 -0.516850
C -1.850242 -0.548321 -1.203899
C -2.757272 1.311906 0.111192
C 2.024187 -0.441753 -1.346809
C 2.630928 1.255788 0.302741
C -2.527456 -1.564082 -0.285472
C -3.424704 0.347678 1.088640
C 2.652851 -1.544016 -0.496439
C 3.250632 0.201752 1.217887
H -1.212376 1.980288 -2.258046
H 1.219973 1.995100 -2.233286
H 0.009567 3.763346 -0.887864
H -0.031634 2.627991 0.572402
H -0.916328 -1.011003 -1.557032
H -2.512005 -0.421106 -2.101548
H -3.536424 1.622116 -0.633973
H -2.477951 2.214066 0.677779
H 2.786633 -0.136584 -2.112260
H 1.185746 -0.894681 -1.898219
H 2.233903 2.055866 0.945910
H 3.464335 1.703085 -0.300648
H -3.677466 -1.689710 1.447108
H 3.601317 -1.850123 1.333529


