%chk=000057078.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057078

0 1
 O   -5.606200     -0.4942000      -1.289100    
 O    1.035700      -1.854800      0.7444000    
 O   0.4022000       2.256500      0.9611000    
 N   -3.271300      0.3041000      0.1294000    
 C  -0.8244000      0.2448000      0.4136000    
 C   -2.070400       1.120800      0.2933000    
 C  -0.9657000     -0.7406000       1.574600    
 C   -3.187900     -0.5068000      -1.093200    
 C   -4.474500       1.146800      9.3500003E-02
 C   0.4306000       1.089700      0.5806000    
 C   0.3362000      -1.452400       1.922400    
 C   -4.456500      -1.340500      -1.249600    
 C   -5.712500      0.2737000     -8.9800000E-02
 C    1.735500      0.4558000      0.2448000    
 C    1.949100     -0.9299000      0.3051000    
 C    2.769800       1.295700     -0.1914000    
 C    3.169600      -1.462400     -0.1258000    
 C    3.992800      0.7568000     -0.5927000    
 C    4.189700     -0.6214000     -0.5680000    
 C    5.072300       1.678400      -1.058000    
 C    5.486000      -1.220300      -1.005200    
 H  -0.6689000     -0.2944000     -0.5282000    
 H   -1.951700       1.824300     -0.5424000    
 H   -2.169500       1.731700       1.200700    
 H   -1.703300      -1.506900       1.306200    
 H   -1.342100     -0.2429000       2.476800    
 H   -2.362300      -1.222400      -1.069800    
 H   -3.062400      0.1378000      -1.972900    
 H   -4.410500       1.866700     -0.7329000    
 H   -4.573100       1.710200       1.028400    
 H   0.9692000     -0.8402000       2.579500    
 H   0.1065000      -2.360500       2.491600    
 H   -4.423000      -1.898400      -2.190900    
 H   -4.565700      -2.068500     -0.4363000    
 H   -5.863500     -0.3988000      0.7635000    
 H   -6.603500      0.9039000     -0.1762000    
 H    2.616700       2.371500     -0.2416000    
 H    3.322000      -2.539300     -9.5299996E-02
 H    5.974500       1.556000     -0.4499000    
 H    5.312900       1.488900      -2.109200    
 H    4.772600       2.729200     -0.9779000    
 H    5.705900     -0.9513000      -2.043500    
 H    6.303400     -0.8821000     -0.3601000    
 H    5.465200      -2.314600     -0.9549000    


%chk=000057078-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000057078

0 1
O -5.834844 -0.506780 -1.186140
O 1.099221 -1.894381 0.854206
O 0.347933 2.325091 0.819093
N -3.293935 0.284428 -0.004234
C -0.803430 0.203370 0.394964
C -2.049848 1.079518 0.137738
C -1.010726 -0.744473 1.611228
C -3.349379 -0.494779 -1.269008
C -4.507905 1.133814 0.121023
C 0.447073 1.085584 0.565472
C 0.289710 -1.446544 2.024711
C -4.630875 -1.343927 -1.311018
C -5.770656 0.259828 0.070063
C 1.778372 0.450483 0.307363
C 2.018157 -0.954211 0.350232
C 2.847273 1.290406 -0.118405
C 3.251846 -1.478180 -0.096472
C 4.086485 0.786330 -0.551948
C 4.283470 -0.635568 -0.561659
C 5.183893 1.727566 -1.014611
C 5.593119 -1.232385 -1.039549
H -0.605083 -0.448967 -0.479063
H -1.863372 1.723702 -0.757663
H -2.172529 1.767132 0.994044
H -1.796646 -1.470814 1.343651
H -1.390899 -0.162453 2.474094
H -2.474075 -1.168121 -1.329496
H -3.324290 0.180875 -2.161636
H -4.561345 1.896778 -0.696507
H -4.469894 1.672534 1.086743
H 0.924124 -0.779661 2.641223
H 0.087473 -2.375046 2.584149
H -4.731931 -1.863221 -2.278434
H -4.607299 -2.089989 -0.486800
H -5.773647 -0.438961 0.934710
H -6.684568 0.876452 0.086447
H 2.654407 2.369258 -0.125074
H 3.396094 -2.562360 -0.046553
H 6.105317 1.607488 -0.412703
H 5.466645 1.541213 -2.068875
H 4.864262 2.779803 -0.933017
H 5.802723 -0.951828 -2.089796
H 6.448202 -0.866184 -0.439355
H 5.580876 -2.333120 -0.978436


