%chk=000000455.chk
%nprocshared=4
%mem=8GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000455

0 1
 O   -2.212700     -0.3877000      -2.611600    
 O    4.150600      -1.283700      0.3309000    
 O    3.245900      0.9903000     -0.8136000    
 N  -0.5544000       2.300200      0.9896000    
 N   0.2360000      0.4153000     -0.9737000    
 N   -1.782700      0.2138000       1.425700    
 N   -2.477600      -1.059300     -0.4227000    
 N   -2.622800      -1.942600       1.728100    
 C   -1.554700       1.340100      0.5076000    
 C   -1.141700      0.9061000     -0.8930000    
 C   0.7510000       1.664600       1.127000    
 C    1.059100      0.8070000     -6.6699997E-02
 C   -2.012200     -0.2115000      -1.411700    
 C    2.456700      0.3072000     -0.1778000    
 C   -2.272500     -0.8800000      0.9376000    
 C    2.763100      -1.022400      0.4740000    
 C    1.968700      -2.157400     -0.1497000    
 H   -2.506600       1.881900      0.4332000    
 H   -1.248000       1.751800      -1.585400    
 H  -0.8462000       2.675600       1.891100    
 H   0.7868000       1.036600       2.024300    
 H    1.521900       2.435500       1.223900    
 H   -2.973500      -1.894700     -0.7193000    
 H    2.553500     -0.9445000       1.545200    
 H    2.313900      -3.123400      0.2341000    
 H   0.8990000      -2.066500      6.1000001E-02
 H    2.101600      -2.180300      -1.237300    
 H   -2.509000      -1.907800       2.735300    
 H   -3.003300      -2.794800       1.331300    
 H    4.333500      -1.430600     -0.6130000    


%chk=000000455-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000000455

0 1
O -2.421637 -1.443051 -2.023723
O 3.777114 -2.303314 0.507384
O 3.083647 0.126372 1.429215
N -0.487374 2.279541 0.452388
N 0.152629 -0.300185 -0.532867
N -2.056714 0.732841 1.531882
N -2.858523 -1.149750 0.239684
N -3.231093 -1.028561 2.570397
C -1.616837 1.367411 0.249187
C -1.175491 0.318978 -0.810190
C 0.701148 1.614168 1.018528
C 0.969944 0.310978 0.289058
C -2.194771 -0.829976 -0.951413
C 2.287156 -0.364864 0.572630
C -2.668464 -0.421467 1.454755
C 2.681494 -1.636379 -0.188341
C 3.085144 -1.286049 -1.645470
H -2.459187 1.959190 -0.162180
H -1.108117 0.796246 -1.804109
H -0.756276 3.115322 0.984399
H 0.599638 1.370209 2.101751
H 1.587176 2.266352 0.922564
H -3.547193 -1.906915 0.188597
H 1.823737 -2.329546 -0.212516
H 3.483782 -2.200020 -2.116008
H 2.209859 -0.936536 -2.218099
H 3.874760 -0.513628 -1.664935
H -3.165309 -0.510970 3.444673
H -3.369263 -2.036268 2.612966
H 4.222421 -1.621328 1.084195


