%chk=000044397.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044397

0 1
 O  -0.7588000       3.122000      0.4023000    
 O   -3.343200      -1.570600     -0.6600000    
 N   -1.074700      -2.720500      0.1642000    
 C  -0.7080000      0.9094000     -5.1399998E-02
 C   -1.317400     -0.3269000     -0.3285000    
 C  -0.5231000      -1.575100     -0.5574000    
 C   0.6254000       1.375000      9.4200000E-02
 C   -1.520500       2.020900      0.1473000    
 C   -2.716200     -0.3877000     -0.3930000    
 C    1.878200      0.6858000     -6.9999998E-04
 C   -2.912700       1.991800      8.9400001E-02
 C   0.5386000       2.720400      0.3679000    
 C   -3.497300      0.7524000     -0.1874000    
 C   -1.084700      -2.461700       1.603800    
 C  -0.3072000      -3.929900     -0.1318000    
 C    2.446500      0.1054000       1.135300    
 C    2.535000      0.5919000      -1.229500    
 C    3.665900     -0.5656000       1.042900    
 C    3.754300     -7.9200000E-02  -1.321900    
 C    4.319800     -0.6579000     -0.1856000    
 H  -0.5367000      -1.773800      -1.637800    
 H   0.5247000      -1.452900     -0.2826000    
 H   -3.511700       2.880200      0.2500000    
 H    1.266800       3.497200      0.5550000    
 H   -4.581500      0.6823000     -0.2420000    
 H   -1.756500      -1.646500       1.889000    
 H  -8.3400004E-02  -2.234900       1.989200    
 H   -1.455300      -3.343100       2.141000    
 H  -0.3259000      -4.144100      -1.206300    
 H  -0.7505000      -4.798600      0.3676000    
 H   0.7387000      -3.846400      0.1854000    
 H    1.949200      0.1658000       2.100600    
 H    2.107700       1.036000      -2.125700    
 H   -2.707500      -2.242600     -0.9510000    
 H    4.105700      -1.017200       1.927400    
 H    4.263300     -0.1518000      -2.278500    
 H    5.268900      -1.180800     -0.2577000    


%chk=000044397-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044397

0 1
O -0.797746 3.229192 0.516054
O -3.335725 -1.575890 -0.691200
N -1.208438 -2.803852 0.016600
C -0.690511 0.952793 0.006564
C -1.276747 -0.314754 -0.280307
C -0.470960 -1.589826 -0.492927
C 0.674271 1.457139 0.236002
C -1.550472 2.078368 0.175964
C -2.699691 -0.368932 -0.420304
C 1.988137 0.772862 0.137206
C -2.944854 2.041695 0.036570
C 0.540424 2.801629 0.545766
C -3.514084 0.793262 -0.272271
C -1.251611 -2.842409 1.504905
C -0.662669 -4.060814 -0.554743
C 2.927036 0.860781 1.201477
C 2.367354 0.069524 -1.040283
C 4.201886 0.260785 1.095319
C 3.638875 -0.533684 -1.145378
C 4.562404 -0.442950 -0.076691
H -0.313789 -1.758855 -1.578164
H 0.529585 -1.518413 -0.022998
H -3.555301 2.938694 0.170106
H 1.276249 3.573900 0.755185
H -4.594556 0.675802 -0.393918
H -1.665375 -1.892916 1.882384
H -0.240760 -2.990335 1.943629
H -1.908952 -3.666041 1.831928
H -0.747848 -4.036216 -1.654769
H -1.245900 -4.918901 -0.179185
H 0.405251 -4.215988 -0.283561
H 2.643260 1.388835 2.119073
H 1.670422 0.025289 -1.885260
H -2.607176 -2.326175 -0.483772
H 4.909625 0.337881 1.928482
H 3.914073 -1.063073 -2.064648
H 5.550217 -0.909709 -0.159136


