%chk=000056565.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056565

0 1
 O   0.3434000      -1.165100      -1.512400    
 O  -2.5200000E-02   1.206000     -9.7300000E-02
 O    3.257000     -0.1565000       1.220900    
 O    2.577900      0.1894000      -2.285100    
 N    3.331100      0.2797000     -0.1154000    
 C   -4.602300     -8.1200004E-02   1.006800    
 C   -3.296900     -0.3636000      0.3435000    
 C   -5.575400      0.6634000      8.2000002E-02
 C   -2.255700      0.5604000      0.4305000    
 C   -3.117100      -1.552300     -0.3640000    
 C  -0.8548000     -0.8927000     -0.8971000    
 C   -1.034500      0.2959000     -0.1896000    
 C   -1.896100      -1.816700     -0.9845000    
 C   -6.915800      0.9177000      0.7531000    
 C    1.490100      -1.230300     -0.6885000    
 C    4.361500       1.279700     -0.3275000    
 C    2.513300     -0.1922000      -1.114900    
 C    3.823600       2.681600     -0.1276000    
 C    4.123100      -1.274600       1.392900    
 C  -0.2905000       2.395100      0.6441000    
 C    4.043400      -1.743600       2.830000    
 H   -5.056700      -1.023100       1.341200    
 H   -4.437600      0.5039000       1.921000    
 H   -5.740000      8.3200000E-02 -0.8343000    
 H   -5.139900       1.622100     -0.2252000    
 H   -2.454400       1.467500      0.9915000    
 H   -3.921000      -2.279500     -0.4409000    
 H   -1.762000      -2.744200      -1.534400    
 H   -7.586600       1.449900      7.1400002E-02
 H   -6.793000       1.526900       1.654200    
 H   -7.396500     -2.3800001E-02   1.037200    
 H    1.947700      -2.214600     -0.8384000    
 H    1.238900      -1.149800      0.3747000    
 H    5.201700       1.100400      0.3501000    
 H    4.732000       1.188600      -1.354500    
 H    4.610900       3.422000     -0.2989000    
 H    3.443700       2.814100      0.8909000    
 H    3.000700       2.891000     -0.8191000    
 H    5.157600     -0.9976000       1.163100    
 H    3.825600      -2.092300      0.7278000    
 H   -1.085200       2.990500      0.1819000    
 H  -0.4904000       2.177000       1.698700    
 H   0.6194000       3.003100      0.6135000    
 H    4.333900     -0.9398000       3.514400    
 H    3.016700      -2.024900       3.086700    
 H    4.697300      -2.603900       2.997900    


%chk=000056565-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056565

0 1
O 0.274491 -2.107699 0.637724
O -0.602674 -0.248400 2.565816
O 3.797584 0.117120 0.639902
O 1.233154 -0.859170 -1.686570
N 3.197480 -0.187454 -0.658195
C -4.993374 0.228931 0.127970
C -3.607583 -0.383568 0.271157
C -4.968888 1.634409 -0.536646
C -2.774556 -0.015283 1.359443
C -3.104381 -1.295834 -0.686473
C -0.972166 -1.451959 0.511176
C -1.471094 -0.544726 1.493627
C -1.796636 -1.815741 -0.568899
C -6.378012 2.250394 -0.667431
C 1.474632 -1.280089 0.749081
C 3.683094 0.642923 -1.778710
C 1.925514 -0.766787 -0.632264
C 3.281631 2.126295 -1.647274
C 4.980863 -0.768169 0.880563
C -1.111961 0.625846 3.622894
C 5.513761 -0.384970 2.259420
H -5.637859 -0.436721 -0.478993
H -5.477702 0.320230 1.121533
H -4.497217 1.551773 -1.535278
H -4.317529 2.304428 0.058799
H -3.164857 0.679260 2.111743
H -3.731756 -1.593480 -1.534558
H -1.379734 -2.500456 -1.312293
H -6.339313 3.246199 -1.145977
H -6.854451 2.369741 0.324343
H -7.037541 1.606705 -1.279886
H 2.242120 -1.940439 1.185450
H 1.318600 -0.432066 1.439084
H 4.782062 0.534054 -1.835893
H 3.245097 0.198516 -2.688871
H 3.697643 2.708590 -2.489449
H 3.664488 2.552452 -0.703829
H 2.183072 2.231247 -1.663993
H 5.732121 -0.592093 0.086031
H 4.654657 -1.825265 0.836419
H -1.356831 1.633253 3.232861
H -2.006615 0.188609 4.107078
H -0.293350 0.700513 4.354180
H 5.815428 0.676205 2.283295
H 4.746153 -0.547140 3.035445
H 6.395335 -1.003382 2.506847


