%chk=000122194.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122194

0 1
 O   0.9422000      6.3699998E-02  0.9913000    
 O  -3.6699999E-02  -2.010800      0.8638000    
 O   -1.647000      8.9900002E-02   2.148000    
 N    3.693000     -0.9374000     -0.8877000    
 C    3.319400      0.5121000       1.211400    
 C    2.449100      -1.438600     -0.1328000    
 C    2.221200     -0.5559000       1.098200    
 C    3.480900      0.5241000      -1.303600    
 C    4.919200      -1.033300      3.2699998E-02
 C    3.314700       1.385000     -5.1899999E-02
 C    4.672900     -0.2005000       1.291700    
 C    3.916400      -1.792600      -2.125500    
 C  -0.1322000     -0.7863000      0.8769000    
 C   -1.483300     -9.8000001E-03  0.8348000    
 C   -1.394200       1.368100      0.1537000    
 C   -2.623000     -0.8294000      0.1969000    
 C   -2.133000       2.399300      0.6754000    
 C   -2.324800      -1.623400     -0.8795000    
 C  -0.5800000       1.499600     -0.9420000    
 C   -3.877600     -0.7240000      0.7382000    
 C   -2.052200       3.647700      5.8600001E-02
 C   -3.355500      -2.365200      -1.456600    
 C  -0.4991000       2.748100      -1.558600    
 C   -4.908200      -1.465900      0.1612000    
 C   -1.235200       3.822200      -1.058300    
 C   -4.647100      -2.286500     -0.9362000    
 H    3.153900       1.142900       2.091700    
 H    2.658800      -2.474200      0.1595000    
 H    1.632500      -1.426200     -0.8620000    
 H    2.222100      -1.171100       2.007700    
 H    2.589300      0.5615000      -1.939600    
 H    4.352300      0.8357000      -1.890400    
 H    5.784600     -0.6646000     -0.5297000    
 H    5.073500      -2.090700      0.2757000    
 H    4.127900       2.119900     -2.7999999E-03
 H    2.389600       1.967600     -0.1212000    
 H    4.710300     -0.8481000       2.176100    
 H    5.482700      0.5291000       1.413100    
 H    3.039300      -1.701400      -2.772800    
 H    4.810500      -1.429100      -2.640200    
 H    4.052700      -2.830700      -1.808900    
 H   -2.794400       2.297400       1.529600    
 H   -1.335700      -1.679200      -1.321200    
 H  -2.0199999E-02  0.6728000      -1.366000    
 H   -4.125000     -8.0600001E-02   1.576200    
 H   -2.629000       4.483100      0.4447000    
 H   -3.154100      -2.998600      -2.315600    
 H   0.1327000       2.882400      -2.431800    
 H   -5.915400      -1.400800      0.5623000    
 H   -1.174000       4.793600      -1.540000    
 H   -5.450300      -2.861800      -1.387300    


%chk=000122194-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122194

0 1
O 1.194826 0.723527 -1.018482
O 0.408180 -1.230378 -1.971693
O -0.254347 -0.789575 0.919272
N 3.702385 -1.271730 -0.053668
C 3.449340 1.300139 -0.354251
C 2.398015 -0.765687 0.612863
C 2.113608 0.674534 0.132896
C 3.669421 -0.899329 -1.556728
C 4.883528 -0.544243 0.608743
C 3.835439 0.634108 -1.702625
C 4.553436 0.973107 0.688314
C 3.809143 -2.769349 0.107557
C 0.160350 -0.300505 -1.159011
C -0.990333 -0.185177 -0.155155
C -1.390348 1.283106 0.146064
C -2.238886 -0.994774 -0.557846
C -1.225164 1.762264 1.466025
C -2.726708 -1.057156 -1.885317
C -1.922042 2.150963 -0.839515
C -2.935651 -1.680161 0.465303
C -1.586938 3.087298 1.802305
C -3.903971 -1.781642 -2.181929
C -2.272348 3.479168 -0.510788
C -4.116905 -2.396777 0.173917
C -2.108674 3.953268 0.813301
C -4.608492 -2.448000 -1.152642
H 3.336522 2.388919 -0.480310
H 2.566693 -0.797959 1.703426
H 1.529160 -1.420820 0.398193
H 1.664652 1.240881 0.968210
H 2.681064 -1.228147 -1.929851
H 4.478832 -1.470626 -2.044636
H 5.775155 -0.749375 -0.008919
H 5.030969 -0.996084 1.604474
H 4.871044 0.907967 -1.978897
H 3.155129 0.980902 -2.494474
H 4.216236 1.246210 1.704633
H 5.467216 1.555890 0.477139
H 3.000324 -3.240237 -0.471874
H 4.789990 -3.111878 -0.261412
H 3.693689 -3.028455 1.172005
H -0.811391 1.061974 2.201155
H -2.172602 -0.569362 -2.695638
H -2.064333 1.792577 -1.866300
H -2.516312 -1.651512 1.476600
H -1.465253 3.444168 2.832673
H -4.267154 -1.832380 -3.215541
H -2.678228 4.143878 -1.283053
H -4.652063 -2.919125 0.976343
H -2.388587 4.982328 1.068933
H -5.523114 -3.007635 -1.382590


