%chk=000050717.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050717

0 1
 O   -1.684600      -1.018900     -0.9272000    
 O   -2.072900      -1.884900       1.170000    
 N    1.936500      -1.463900     -0.4619000    
 N   -7.252000       1.703300      8.2999999E-03
 C    4.164500       1.658800     -0.1017000    
 C    5.509700      0.8958000     -0.1124000    
 C    3.031700      0.7364000     -0.6105000    
 C    5.456400     -0.4562000      0.6173000    
 C    2.972800     -0.6106000      0.1230000    
 C    4.324000      -1.331800      6.4199999E-02
 C    3.846300       2.183000       1.312100    
 C    4.275700       2.876300      -1.039900    
 C    6.798300      -1.179800      0.4999000    
 C   0.6444000     -0.7985000     -0.4282000    
 C  -0.4393000      -1.701300     -0.9956000    
 C   -2.403000      -1.198400      0.2155000    
 C   -3.676900     -0.4376000      0.1613000    
 C   -4.225200      2.9800000E-02   1.338100    
 C   -4.272700     -0.2205000      -1.064400    
 C   -5.421500      0.7455000       1.287100    
 C   -5.468800      0.4952000      -1.115300    
 C   -6.043200      0.9783000      6.0300000E-02
 H    6.295100       1.520600      0.3330000    
 H    5.813200      0.7202000      -1.153900    
 H    3.167200      0.5568000      -1.686500    
 H    2.100500       1.301700     -0.4967000    
 H    5.272600     -0.2800000       1.684200    
 H    2.724400     -0.4423000       1.178600    
 H    4.551300      -1.612800     -0.9735000    
 H    4.272100      -2.266200      0.6383000    
 H    4.635600       2.856200       1.666100    
 H    2.905800       2.745800       1.319800    
 H    3.750900       1.380000       2.048000    
 H    5.073200       3.554200     -0.7153000    
 H    4.500200       2.567900      -2.067100    
 H    3.340200       3.446600      -1.061800    
 H    7.605200     -0.5715000      0.9219000    
 H    6.775500      -2.129900       1.043900    
 H    7.046500      -1.394100     -0.5453000    
 H    1.888300      -2.344100      5.0500002E-02
 H   0.6191000      0.1045000      -1.045800    
 H   0.3812000     -0.5004000      0.5941000    
 H  -0.4827000      -2.668600     -0.4796000    
 H  -0.2427000      -1.915400      -2.052500    
 H   -3.748600     -0.1418000       2.298700    
 H   -3.853300     -0.5971000      -1.992400    
 H   -5.858600       1.117700       2.210100    
 H   -5.945300      0.6679000      -2.077100    
 H   -7.704200       1.870500     -0.8807000    
 H   -7.670100       2.052000      0.8606000    


%chk=000050717-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050717

0 1
O -1.838639 -0.699224 -0.990983
O -2.194089 -1.976706 0.936373
N 1.865619 -1.074563 -0.392956
N -7.825127 1.228777 0.286858
C 4.634541 1.680257 -0.368753
C 5.816225 0.692603 -0.131980
C 3.379734 0.870179 -0.813573
C 5.481777 -0.476572 0.827854
C 3.007207 -0.284791 0.147176
C 4.220057 -1.224182 0.331187
C 4.341122 2.505749 0.914903
C 5.018256 2.665404 -1.503519
C 6.680403 -1.439985 0.971161
C 0.530753 -0.448664 -0.278712
C -0.474856 -1.280570 -1.092078
C -2.617533 -1.135050 0.099151
C -3.953288 -0.501403 0.115581
C -4.857300 -0.848258 1.157076
C -4.369704 0.437630 -0.867641
C -6.137099 -0.280651 1.219841
C -5.648381 1.011764 -0.814800
C -6.556533 0.662110 0.231370
H 6.693848 1.252168 0.252356
H 6.116981 0.261265 -1.111298
H 3.566422 0.418381 -1.808937
H 2.525186 1.566206 -0.931243
H 5.261256 -0.056791 1.832262
H 2.748346 0.147128 1.147244
H 4.437402 -1.705393 -0.645636
H 3.961463 -2.035367 1.044353
H 5.221330 3.117550 1.190668
H 3.489375 3.192711 0.749209
H 4.091680 1.868172 1.781228
H 5.920916 3.247614 -1.235635
H 5.229405 2.124161 -2.445469
H 4.199285 3.383428 -1.701618
H 7.577381 -0.910287 1.343658
H 6.455230 -2.262861 1.675642
H 6.937998 -1.893336 -0.005710
H 1.857404 -2.018746 0.021435
H 0.574570 0.571275 -0.699441
H 0.167776 -0.361250 0.772612
H -0.503506 -2.324268 -0.727521
H -0.229615 -1.255421 -2.164606
H -4.528883 -1.572357 1.910318
H -3.676602 0.705156 -1.670110
H -6.823468 -0.558281 2.028949
H -5.957711 1.734030 -1.580113
H -8.129123 1.897991 -0.414676
H -8.474689 0.981666 1.028144


