%chk=000128248.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128248

0 1
 O    1.799900      0.8453000       1.800300    
 O    1.967300       2.493800      0.2545000    
 O    4.520200      -2.112700      5.5000000E-02
 O   -6.327700     -0.4515000       1.354600    
 N   0.9412000      0.1938000      -1.360400    
 N    5.631700     -0.7875000       1.570800    
 C    2.100100      0.1656000     -0.4685000    
 C    3.421600      0.2078000      -1.254200    
 C  -0.2926000      3.7300002E-02 -0.6064000    
 C   -1.508600      6.7500003E-02  -1.533000    
 C    4.707100      0.2383000     -0.4191000    
 C   -2.796400     -7.1300000E-02 -0.7609000    
 C    1.959100       1.300800      0.5293000    
 C    4.937600      -1.010900      0.4040000    
 C   -3.319000      -1.334500     -0.5299000    
 C   -3.436800       1.067200     -0.2955000    
 C   -4.510800      -1.462500      0.1836000    
 C   -4.628400      0.9392000      0.4181000    
 C   -5.165500     -0.3256000      0.6576000    
 H    2.086900     -0.7812000      8.7899998E-02
 H    3.459100     -0.6531000      -1.934900    
 H    3.426100       1.102800      -1.891300    
 H  -0.2813000     -0.9110000     -5.3399999E-02
 H  -0.4206000      0.8412000      0.1278000    
 H    1.020200     -0.5526000      -2.050700    
 H   -1.440700     -0.7364000      -2.278100    
 H   -1.526500       1.003700      -2.107100    
 H    5.567900      0.3388000      -1.091200    
 H    4.707000       1.119200      0.2327000    
 H   -2.815600      -2.225900     -0.8933000    
 H   -3.025300       2.056300     -0.4754000    
 H   -4.923800      -2.450500      0.3677000    
 H   -5.128300       1.832600      0.7825000    
 H    1.700600       1.580700       2.441800    
 H    5.967400      0.1324000       1.837600    
 H    5.839800      -1.549700       2.207300    
 H   -6.642000      0.4342000       1.605400    


%chk=000128248-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128248

0 1
O 2.907581 1.739901 1.725892
O 1.324348 2.765253 0.378260
O 4.221079 -2.186022 -0.437990
O -6.609583 -0.608259 1.117527
N 0.969101 0.289782 -1.046355
N 5.673699 -1.466254 1.218337
C 2.143779 0.462706 -0.185143
C 3.425229 0.492100 -1.078088
C -0.335580 0.115409 -0.375408
C -1.453586 -0.083338 -1.429294
C 4.737126 0.226327 -0.318003
C -2.827299 -0.208785 -0.789320
C 2.036875 1.769164 0.610280
C 4.835316 -1.239388 0.140195
C -3.362392 -1.474526 -0.431897
C -3.594812 0.944952 -0.491103
C -4.616733 -1.593558 0.200552
C -4.853561 0.847164 0.141734
C -5.362009 -0.427776 0.487677
H 2.264980 -0.355228 0.566187
H 3.307009 -0.313223 -1.827892
H 3.468349 1.452827 -1.621496
H -0.345462 -0.746222 0.337599
H -0.554791 1.028389 0.207821
H 1.142994 -0.438851 -1.750510
H -1.227644 -0.991272 -2.024881
H -1.416460 0.778032 -2.121536
H 5.590927 0.417615 -0.998431
H 4.843472 0.907792 0.545115
H -2.790491 -2.383295 -0.656828
H -3.205068 1.934440 -0.759314
H -5.032127 -2.568439 0.472696
H -5.433194 1.754389 0.358871
H 2.819782 2.603862 2.213879
H 6.125993 -0.703301 1.718629
H 5.804855 -2.424022 1.543547
H -7.050805 0.263252 1.273889


