%chk=000048672.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048672

1 1
 O   0.1467000     -0.5530000      0.5257000    
 O   0.7777000      -1.574100      -1.471900    
 N   -1.895000       2.259200      4.6300001E-02
 N   -3.324700     -0.5960000     -0.6105000    
 C   -1.653800       1.116000     -0.9291000    
 C   -1.084700       2.024800       1.313000    
 C   -1.466600       3.571400     -0.5945000    
 C   -3.374800       2.324400      0.3955000    
 C   -2.050000     -0.2215000     -0.3768000    
 C   -1.125800     -0.9782000      0.3188000    
 C   -1.540000      -2.210800      0.8112000    
 C   -3.691200      -1.800000     -0.1167000    
 C   -2.845600      -2.636900      0.5937000    
 C    1.052100     -0.9273000     -0.4722000    
 C    2.419200     -0.4274000     -0.1772000    
 C    3.258900     -0.1234000      -1.228800    
 C    2.806200     -0.2824000       1.139200    
 C    4.542800      0.3463000     -0.9518000    
 C    4.090100      0.1873000       1.416000    
 C    4.958300      0.5016000      0.3704000    
 H  -0.6006000       1.149200      -1.230000    
 H   -2.243400       1.332700      -1.829800    
 H  -3.1500001E-02   1.910400       1.043600    
 H   -1.196100       2.912800       1.944800    
 H   -1.476600       1.165700       1.861500    
 H   -2.059100       3.722900      -1.501700    
 H   -1.645700       4.382500      0.1176000    
 H  -0.4019000       3.506600     -0.8378000    
 H   -3.954000       2.369400     -0.5315000    
 H   -3.653400       1.455600      0.9974000    
 H   -3.543400       3.232000      0.9842000    
 H  -0.8518000      -2.843000       1.365300    
 H   -4.719300      -2.085700     -0.3130000    
 H   -3.190500      -3.593700      0.9686000    
 H    2.945400     -0.2366000      -2.262300    
 H    2.152800     -0.5320000       1.969600    
 H    5.218700      0.5919000      -1.765800    
 H    4.415100      0.3058000       2.445600    
 H    5.958100      0.8670000      0.5861000    


%chk=000048672-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048672

1 1
O 0.587875 -0.828172 0.620646
O 0.612905 -0.181202 -1.635592
N -2.373414 2.422235 0.107508
N -3.118725 -0.412296 0.358092
C -1.354481 1.284564 -0.111881
C -2.916324 2.427394 1.536593
C -1.638264 3.738829 -0.147457
C -3.535977 2.308130 -0.887131
C -1.787513 -0.114791 0.304213
C -0.804181 -1.098329 0.595677
C -1.209833 -2.399024 0.962246
C -3.509333 -1.670245 0.708097
C -2.586844 -2.693831 1.019550
C 1.263218 -0.432227 -0.597226
C 2.724118 -0.368575 -0.407321
C 3.517491 0.004916 -1.528852
C 3.343703 -0.674042 0.836277
C 4.917761 0.073799 -1.404062
C 4.745790 -0.599598 0.952293
C 5.533277 -0.226768 -0.164192
H -0.443817 1.568604 0.445976
H -1.095932 1.287694 -1.186072
H -2.070233 2.432159 2.241344
H -3.525291 3.334319 1.674182
H -3.528407 1.527056 1.678174
H -1.170502 3.703671 -1.143297
H -2.364502 4.564642 -0.106684
H -0.866455 3.880956 0.624631
H -3.130792 2.373219 -1.908902
H -4.016899 1.333709 -0.721706
H -4.234172 3.139672 -0.703182
H -0.448653 -3.150464 1.190852
H -4.588143 -1.850295 0.736132
H -2.939220 -3.691486 1.294420
H 3.024035 0.225506 -2.481116
H 2.728959 -0.970266 1.690235
H 5.530500 0.355063 -2.266162
H 5.227751 -0.835792 1.906166
H 6.623127 -0.175232 -0.069769


