%chk=000027454.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027454

0 1
 O    5.069700      -2.129400     -0.1552000    
 O   -2.423900      -2.207200     -0.5041000    
 O   -6.426200      0.3275000       1.306300    
 N    1.616000     -0.8926000     -0.7611000    
 C    2.658400      -1.770600     -0.2148000    
 C    4.049700      -1.255700     -0.6474000    
 C   0.2967000      -1.393000     -0.4161000    
 C    2.493200      -1.810200       1.305600    
 C    4.373600      0.1293000     -0.1294000    
 C  -0.7996000     -0.4918000     -0.9844000    
 C    4.029400       1.232400     -0.8910000    
 C    5.006400      0.2618000       1.094100    
 C   -2.192200      -1.010000     -0.6564000    
 C   -3.308300     -2.8400000E-02 -0.5174000    
 C    4.327600       2.508700     -0.4138000    
 C    5.304500       1.538300       1.571300    
 C    4.965000       2.661700      0.8172000    
 C   -4.344800     -0.3255000      0.3377000    
 C   -3.257100       1.135700      -1.249500    
 C   -5.387400      0.5918000      0.4678000    
 C   -4.299600       2.053000      -1.119400    
 C   -5.364700       1.781300     -0.2608000    
 C   -6.386100     -0.9069000       2.020800    
 H    2.543600      -2.791800     -0.6020000    
 H    4.136300      -1.265300      -1.741500    
 H    1.710600     -0.8406000      -1.775100    
 H   0.1296000      -1.420400      0.6653000    
 H   0.1657000      -2.413100     -0.7980000    
 H    3.379200      -2.241600       1.784800    
 H    2.330900     -0.8184000       1.742800    
 H    1.663300      -2.457700       1.609300    
 H  -0.6756000      0.5139000     -0.5657000    
 H  -0.7150000     -0.4306000      -2.075700    
 H    3.537900       1.125400      -1.853500    
 H    5.275800     -0.5916000       1.708600    
 H    4.882100      -3.019500     -0.4989000    
 H    4.064300       3.383400      -1.001400    
 H    5.798900       1.658000       2.530900    
 H    5.196900       3.655500       1.189000    
 H   -4.309300      -1.259800      0.8858000    
 H   -2.448800       1.362700      -1.936900    
 H   -4.284300       2.977300      -1.689500    
 H   -6.174300       2.499500     -0.1642000    
 H   -7.290200     -0.9529000       2.636700    
 H   -6.418300      -1.766300       1.342500    
 H   -5.531700     -0.9486000       2.704900    


%chk=000027454-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000027454

0 1
O 5.053879 -2.099388 -0.937062
O -2.337766 -1.696955 1.064447
O -7.129982 0.142760 0.522014
N 1.550680 -0.867117 -0.479133
C 2.748621 -1.671166 -0.127585
C 3.994914 -1.079141 -0.874901
C 0.263504 -1.327798 0.094113
C 2.969442 -1.758068 1.392799
C 4.601702 0.170878 -0.241790
C -0.870065 -0.411539 -0.392966
C 3.834857 1.360246 -0.137642
C 5.935052 0.166740 0.235830
C -2.230379 -0.763101 0.213652
C -3.437652 0.027806 -0.210448
C 4.393692 2.523411 0.436726
C 6.493089 1.332915 0.808536
C 5.726649 2.516010 0.910822
C -4.687676 -0.316461 0.373026
C -3.363267 1.084225 -1.153923
C -5.851047 0.394341 0.010843
C -4.536983 1.788635 -1.509599
C -5.776949 1.451380 -0.936081
C -7.262270 -0.932314 1.512022
H 2.640693 -2.724934 -0.513012
H 3.665424 -0.833788 -1.913599
H 1.475556 -0.775206 -1.505212
H 0.317808 -1.276430 1.193961
H 0.024321 -2.388152 -0.160060
H 3.964651 -2.193065 1.593178
H 2.929333 -0.753801 1.847811
H 2.213639 -2.399848 1.878339
H -0.617300 0.638233 -0.140717
H -0.950446 -0.446705 -1.500157
H 2.794035 1.354359 -0.477093
H 6.523287 -0.749823 0.144379
H 4.662253 -2.938316 -1.288740
H 3.789335 3.434784 0.514425
H 7.527497 1.317154 1.171264
H 6.161301 3.420410 1.352138
H -4.695388 -1.137093 1.096963
H -2.407760 1.363411 -1.607544
H -4.486072 2.605870 -2.236884
H -6.695380 1.985242 -1.198780
H -8.329539 -0.948361 1.776032
H -6.966275 -1.909342 1.084302
H -6.655118 -0.723196 2.413509


