%chk=000048442.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048442

0 1
 O  -0.1829000       1.499300       1.080600    
 O    2.722100      -1.986000      0.1533000    
 O   -1.166100      -1.607800      -2.231000    
 N  -0.6600000      9.0000004E-02 -0.7099000    
 N   0.7994000      -1.734700      -1.072400    
 C    1.632100      0.1777000      0.1937000    
 C   -1.971700      0.6973000     -0.9014000    
 C   0.1814000      0.6511000      0.2643000    
 C    2.338300       1.022100     -0.8826000    
 C    2.322900      0.4105000       1.546600    
 C    1.779000      -1.281800     -0.2042000    
 C   -2.811400      0.6329000      0.3825000    
 C  -0.3955000      -1.102900      -1.410200    
 C   -1.806700       2.139800      -1.369400    
 C    2.268300       2.494600     -0.5465000    
 C    1.728700     -0.4750000       2.619600    
 C   -2.983400     -0.7982000      0.9005000    
 C   -3.794600     -0.8289000       2.186700    
 H   -2.519700      0.1643000      -1.686900    
 H    1.880400      0.8631000      -1.867400    
 H    3.388500      0.7192000     -0.9821000    
 H    2.216700       1.443900       1.893700    
 H    3.399500      0.2098000       1.476400    
 H   -3.807700       1.037700      0.1568000    
 H   -2.424500       1.272100       1.180900    
 H   0.9415000      -2.660300      -1.467400    
 H   -2.779100       2.558500      -1.652100    
 H   -1.386200       2.798900     -0.6046000    
 H   -1.155200       2.191900      -2.249000    
 H    1.248400       2.879500     -0.4773000    
 H    2.814200       2.755100      0.3636000    
 H    2.749000       3.060500      -1.354000    
 H   0.6514000     -0.3277000       2.740000    
 H    1.906600      -1.539400       2.446100    
 H    2.191800     -0.2365000       3.584000    
 H   -3.481900      -1.411600      0.1413000    
 H   -2.010400      -1.257700       1.104800    
 H   -3.298700     -0.2565000       2.977200    
 H   -4.792800     -0.4076000       2.030900    
 H   -3.911600      -1.859500       2.536400    


%chk=000048442-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048442

0 1
O -0.111534 1.687232 0.884036
O 2.946504 -1.871338 -0.197154
O -1.245567 -1.705695 -2.136772
N -0.688387 0.079451 -0.697345
N 0.841622 -1.713349 -1.135918
C 1.702168 0.222314 0.167642
C -2.073187 0.665725 -0.881587
C 0.237864 0.703502 0.176422
C 2.495632 1.137543 -0.866373
C 2.311740 0.338238 1.594305
C 1.893489 -1.202027 -0.362796
C -2.913457 0.613935 0.419999
C -0.420629 -1.134890 -1.375500
C -1.991561 2.080759 -1.489918
C 2.579879 2.633119 -0.503985
C 1.662530 -0.602598 2.630885
C -3.007874 -0.788213 1.063176
C -3.956132 -0.807605 2.281177
H -2.538878 -0.011394 -1.619292
H 2.031119 1.023456 -1.866607
H 3.513632 0.708359 -0.933050
H 2.195678 1.383335 1.926326
H 3.391274 0.115997 1.511938
H -3.932899 0.953290 0.143649
H -2.516254 1.340443 1.150800
H 0.987888 -2.624231 -1.583932
H -3.012397 2.426249 -1.733635
H -1.542516 2.798363 -0.784586
H -1.404580 2.077489 -2.426004
H 1.582715 3.080908 -0.355351
H 3.164849 2.798888 0.416686
H 3.085476 3.177424 -1.322655
H 0.583823 -0.389536 2.747632
H 1.789005 -1.664195 2.351897
H 2.134967 -0.462055 3.619422
H -3.352410 -1.523025 0.307972
H -1.998753 -1.118136 1.383918
H -3.619153 -0.094372 3.056726
H -4.984661 -0.523798 1.988616
H -4.000927 -1.811860 2.740735


