%chk=000023072.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023072

0 1
 O  -0.2907000      0.5775000     -0.7058000    
 N    3.765900       1.497300     -0.5534000    
 C    3.070400       1.548900      0.7409000    
 C    3.431100      0.2507000      -1.257700    
 C    3.667000     -0.9558000       1.022500    
 C    3.668500      0.4500000       1.642800    
 C    4.047900     -0.9204000     -0.4657000    
 C    1.539400       1.469000      0.5951000    
 C    1.919800      0.1009000      -1.512500    
 C    1.045500      0.3151000     -0.2778000    
 C    3.561000       2.691800      -1.366300    
 C    4.595200      -1.892900       1.798600    
 C   -1.237600      8.5199997E-02  0.2293000    
 C   -2.452200      0.9894000      0.2647000    
 C   -1.589800      -1.365600     -3.7099998E-02
 C   -3.171300       1.106800       1.440700    
 C   -1.950700      -2.175500       1.023500    
 C   -2.814400       1.677000     -0.8797000    
 C   -1.540900      -1.842100      -1.333900    
 C   -4.290000       1.939400       1.473100    
 C   -2.274300      -3.510100      0.7785000    
 C   -3.933000       2.509600     -0.8472000    
 C   -1.864600      -3.176500      -1.579000    
 C   -4.670800       2.640800      0.3292000    
 C   -2.231400      -4.010600     -0.5228000    
 H    3.303300       2.502400       1.234100    
 H    3.930200      0.2477000      -2.236300    
 H    2.668300      -1.386200       1.123500    
 H    3.139600      0.4274000       2.603900    
 H    4.705300      0.7326000       1.874900    
 H    5.141400     -0.8434000     -0.5487000    
 H    3.775900      -1.873400     -0.9366000    
 H    1.079400       1.405800       1.589100    
 H    1.166700       2.414100      0.1776000    
 H    1.613700      0.8110000      -2.292800    
 H    1.705400     -0.8872000      -1.939700    
 H    1.057000     -0.6154000      0.2941000    
 H    2.518500       2.851500      -1.657800    
 H    4.162900       2.637100      -2.280200    
 H    3.900800       3.582000     -0.8255000    
 H    4.295600      -1.950800       2.850300    
 H    4.559300      -2.905200       1.382300    
 H    5.634100      -1.548200       1.761300    
 H  -0.7929000      0.1459000       1.233700    
 H   -2.883400      0.5707000       2.340000    
 H   -1.982600      -1.799800       2.041700    
 H   -2.263000       1.582100      -1.810300    
 H   -1.267800      -1.208000      -2.171900    
 H   -4.863900       2.042400       2.389400    
 H   -2.558500      -4.159900       1.601000    
 H   -4.231400       3.053700      -1.738500    
 H   -1.833200      -3.565800      -2.592400    
 H   -5.542100       3.288800      0.3544000    
 H   -2.483600      -5.049500     -0.7136000    


%chk=000023072-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000023072

0 1
O -0.332943 0.830713 -0.590157
N 3.799375 1.548366 -0.200217
C 3.169724 1.096039 1.069322
C 3.405338 0.634564 -1.309235
C 3.670614 -1.356901 0.349746
C 3.784854 -0.274032 1.456050
C 4.033966 -0.755951 -1.035471
C 1.602820 1.110225 0.982989
C 1.857229 0.624422 -1.530925
C 1.039697 0.360795 -0.250522
C 3.646263 2.985623 -0.492582
C 4.560883 -2.576711 0.674304
C -1.381936 0.483244 0.391117
C -2.675663 1.155567 -0.083668
C -1.518184 -1.032771 0.558718
C -3.890311 0.893942 0.600468
C -1.271020 -1.646113 1.810092
C -2.679323 2.062698 -1.170108
C -1.872960 -1.845302 -0.548591
C -5.087490 1.530730 0.207872
C -1.381006 -3.048710 1.961214
C -3.880201 2.695726 -1.567116
C -1.978379 -3.244337 -0.403577
C -5.087279 2.435964 -0.879734
C -1.733781 -3.851115 0.853143
H 3.456437 1.821260 1.857236
H 3.864664 1.027428 -2.238217
H 2.623472 -1.716706 0.314536
H 3.323025 -0.642804 2.394132
H 4.859259 -0.098962 1.663471
H 5.133872 -0.629500 -1.083552
H 3.746298 -1.462308 -1.839754
H 1.185572 0.693431 1.920418
H 1.265299 2.163860 0.913917
H 1.548675 1.615676 -1.917132
H 1.583560 -0.116996 -2.304660
H 0.978084 -0.724306 -0.044553
H 2.596564 3.329898 -0.658249
H 4.227072 3.234433 -1.399789
H 4.062841 3.572487 0.346725
H 4.291286 -3.021705 1.650864
H 4.459450 -3.363516 -0.096925
H 5.627018 -2.281613 0.718845
H -1.110973 0.914710 1.380923
H -3.900961 0.181037 1.433989
H -0.993935 -1.023901 2.671430
H -1.740231 2.256973 -1.693998
H -2.062065 -1.369881 -1.517786
H -6.018793 1.318446 0.745381
H -1.190151 -3.511702 2.936020
H -3.871467 3.393259 -2.412791
H -2.253946 -3.864217 -1.264420
H -6.016558 2.928800 -1.187583
H -1.818656 -4.937957 0.965388


