%chk=000157716.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157716

0 1
 O    1.087100      -1.840500     -0.1316000    
 O    3.787600      -2.483000      0.3082000    
 O   -4.186800       1.474100      0.8981000    
 N    2.963700       1.125700      0.3792000    
 C    3.207900      -1.294200      0.8531000    
 C    3.467300     -0.1451000     -0.1239000    
 C    3.273100       2.210500     -0.5423000    
 C    1.723500      -1.546500       1.108200    
 C    4.783400       2.340100     -0.7188000    
 C    2.669000       3.509600     -1.8500000E-02
 C  -0.2335000      -1.496200     -0.2421000    
 C   -2.915500     -0.7946000     -0.4683000    
 C   -4.353600     -0.4194000     -0.5895000    
 C  -0.7538000      -1.153800      -1.485600    
 C   -1.042300      -1.490800      0.8892000    
 C   -2.098900     -0.8018000      -1.599100    
 C   -2.387300      -1.139100      0.7758000    
 C   -4.597600       1.081600     -0.4053000    
 C   -4.393400       2.863400       1.113300    
 H    3.712800      -1.099600       1.806200    
 H    4.551800     -0.1272000     -0.2768000    
 H    3.025700     -0.3765000      -1.101400    
 H    2.815200       2.009000      -1.519000    
 H    3.369000       1.317100       1.295200    
 H    1.297300     -0.6627000       1.598800    
 H    1.609800      -2.418200       1.763400    
 H    5.203300       1.543200      -1.340300    
 H    5.309600       2.351800      0.2427000    
 H    5.025300       3.279800      -1.229400    
 H    3.095900       3.790300      0.9510000    
 H    2.853800       4.332700     -0.7173000    
 H    1.584000       3.416600      0.1036000    
 H   -4.741400     -0.7345000      -1.566100    
 H   -4.932600     -0.9753000      0.1597000    
 H    3.318400      -2.688700     -0.5186000    
 H   -2.497900     -0.5334000      -2.573700    
 H   -3.014100      -1.144400       1.663700    
 H  -0.1206000      -1.156900      -2.368300    
 H  -0.6784000      -1.781000       1.870000    
 H   -4.036700       1.652500      -1.155200    
 H   -5.666200       1.291600     -0.5303000    
 H   -5.455000       3.112400       1.021800    
 H   -4.064000       3.107200       2.126900    
 H   -3.804700       3.453200      0.4039000    


%chk=000157716-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157716

0 1
O 1.042856 -1.248546 -0.239810
O 3.364957 -2.653811 0.184777
O -5.217782 1.062366 0.887013
N 3.945336 1.050046 0.606573
C 3.208882 -1.317269 0.774983
C 3.864109 -0.235939 -0.120427
C 4.041302 2.285486 -0.217652
C 1.729322 -1.018673 1.050078
C 5.312784 2.352944 -1.108443
C 3.949286 3.511629 0.713439
C -0.352614 -1.072765 -0.293016
C -3.171213 -0.779926 -0.601846
C -4.676992 -0.633186 -0.778807
C -0.961374 -1.359186 -1.537552
C -1.142886 -0.638116 0.798890
C -2.355451 -1.212322 -1.681179
C -2.539210 -0.497116 0.635594
C -5.217617 0.791022 -0.558078
C -5.664273 2.419038 1.192491
H 3.744854 -1.364916 1.741366
H 4.844023 -0.636589 -0.463450
H 3.234802 -0.087329 -1.018705
H 3.153250 2.283910 -0.882182
H 4.679442 1.034133 1.330303
H 1.615712 0.034260 1.370870
H 1.319360 -1.711204 1.810727
H 5.387398 1.467947 -1.766373
H 6.224850 2.394019 -0.481413
H 5.299986 3.253468 -1.750960
H 4.807668 3.536673 1.413836
H 3.963886 4.451258 0.132412
H 3.020566 3.475331 1.308685
H -4.958761 -0.950144 -1.801270
H -5.221156 -1.296656 -0.077931
H 2.659932 -2.739553 -0.510314
H -2.817384 -1.441040 -2.649780
H -3.153973 -0.150426 1.472171
H -0.334964 -1.694148 -2.370485
H -0.688286 -0.409116 1.767335
H -4.587561 1.540251 -1.086974
H -6.258910 0.868723 -0.945507
H -6.699344 2.598763 0.829063
H -5.642476 2.514902 2.289608
H -4.992137 3.180807 0.742542


