%chk=000013706.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013706

0 1
 O   -2.275900      -1.634100      -1.081000    
 O   -4.068500      -1.327500      0.2749000    
 O    4.094200      -1.421500      0.1436000    
 O    4.395900      0.5605000     -0.7506000    
 N   -3.974700       1.359300     -0.2755000    
 N    3.662300     -0.2936000     -0.1966000    
 C   -1.802500      0.9883000      0.8010000    
 C   -2.727600      0.6030000     -0.3638000    
 C  -0.3536000      0.6485000      0.5374000    
 C   0.1297000     -0.5943000      0.9110000    
 C   0.4616000       1.587000     -7.3299997E-02
 C    1.466900     -0.9078000      0.6670000    
 C    1.798800       1.273500     -0.3175000    
 C   -3.107900     -0.8673000     -0.3292000    
 C    2.301400      2.6000001E-02  5.2700002E-02
 H   -2.127400      0.5050000       1.732700    
 H   -1.863600       2.068100      0.9967000    
 H   -2.274300      0.8271000      -1.336300    
 H  -0.5113000      -1.327400       1.392100    
 H   7.8100003E-02   2.559700     -0.3674000    
 H    1.823800      -1.889000      0.9693000    
 H    2.419200       2.025400     -0.7987000    
 H   -3.774100       2.356800     -0.3416000    
 H   -4.398700       1.222100      0.6419000    
 H   -2.535300      -2.579900      -1.063800    


%chk=000013706-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000013706

0 1
O -2.227859 -1.189413 -1.630697
O -3.254200 -1.556020 0.421159
O 4.047074 -1.648738 0.295197
O 4.396293 0.248534 -0.922924
N -4.187778 1.170882 -0.077942
N 3.652255 -0.521599 -0.198963
C -1.809633 1.168000 0.862193
C -2.803490 0.758606 -0.301900
C -0.375562 0.744260 0.617651
C 0.117911 -0.483748 1.137581
C 0.489403 1.543757 -0.178432
C 1.434630 -0.906900 0.876458
C 1.808559 1.139306 -0.453486
C -2.804635 -0.764686 -0.438406
C 2.263892 -0.087015 0.079762
H -2.200885 0.719267 1.793767
H -1.881646 2.267672 0.956710
H -2.443527 1.191462 -1.250123
H -0.537166 -1.107481 1.756481
H 0.125348 2.496929 -0.579391
H 1.830137 -1.844997 1.274681
H 2.486649 1.744863 -1.060491
H -4.387578 2.166559 -0.175068
H -4.666034 0.703842 0.695709
H -2.235660 -2.185443 -1.674527


