%chk=000050723.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050723

0 1
 O  -0.3116000       1.328400      0.9447000    
 O   -1.161800       2.493300     -0.8496000    
 N    2.184900      0.1371000      0.5007000    
 N   -5.743200      -1.824200      0.4902000    
 C    2.731200     -0.6996000     -0.5690000    
 C    1.915600       1.480900      1.4900000E-02
 C    1.620800      -1.214300      -1.506800    
 C    3.502000      -1.888700      3.6800001E-02
 C    3.204400       2.323000     -3.5999998E-02
 C   0.5732000      -2.080400     -0.8004000    
 C    4.896800      -1.508200      0.5449000    
 C   0.8655000       2.126900      0.9247000    
 C    2.991100       3.736500     -0.5641000    
 C  -0.4821000      -2.579700      -1.776000    
 C    5.609700      -2.705100       1.155900    
 C   -1.246900       1.619500     -6.0000003E-04
 C   -2.421600      0.7206000      0.1278000    
 C   -3.499600      0.8521000     -0.7476000    
 C   -2.446900     -0.2558000       1.123600    
 C   -4.602900      7.3000002E-03 -0.6271000    
 C   -3.550200      -1.100600       1.244300    
 C   -4.628300     -0.9690000      0.3689000    
 H    3.443700     -0.1459000      -1.191300    
 H    1.481700       1.450300     -0.9908000    
 H    2.084500      -1.803100      -2.309600    
 H    1.118900     -0.3795000      -2.009100    
 H    3.623800      -2.671400     -0.7236000    
 H    2.929600      -2.340300      0.8576000    
 H    2.825600      0.1811000       1.291300    
 H    3.653000       2.387800      0.9636000    
 H    3.951500       1.844900     -0.6789000    
 H   8.1000000E-02  -1.513500     -4.6999999E-03
 H    1.043400      -2.952600     -0.3344000    
 H    5.498100      -1.115300     -0.2831000    
 H    4.828500     -0.7167000       1.298900    
 H   0.6256000       3.153000      0.6261000    
 H    1.234000       2.185900       1.956100    
 H    2.421300       4.350900      0.1385000    
 H    3.958100       4.228300     -0.7130000    
 H    2.467400       3.723700      -1.525100    
 H  -3.0600000E-02  -3.187400      -2.566600    
 H   -1.220300      -3.195600      -1.252900    
 H   -1.010200      -1.742400      -2.243500    
 H    5.730200      -3.507300      0.4209000    
 H    5.050400      -3.101200       2.009400    
 H    6.604700      -2.414400       1.507300    
 H   -3.498900       1.605900      -1.530300    
 H   -1.629700     -0.3937000       1.825900    
 H   -5.436700      0.1193000      -1.315500    
 H   -3.558100      -1.858300       2.023800    
 H   -5.762800      -2.530900       1.213400    
 H   -6.526100      -1.728100     -0.1428000    


%chk=000050723-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050723

0 1
O -0.391853 1.127223 1.141215
O -1.047321 2.631174 -0.525155
N 2.408159 0.015247 0.531381
N -6.183389 -1.348926 -0.078813
C 2.853137 -0.861523 -0.584483
C 1.918566 1.368163 0.177632
C 1.627944 -1.505836 -1.292665
C 3.841755 -1.926486 -0.044143
C 3.066033 2.415626 0.016631
C 0.784241 -2.438162 -0.395887
C 5.247448 -1.375730 0.294650
C 0.900939 1.853880 1.230691
C 2.664994 3.686971 -0.765439
C -0.502048 -2.924501 -1.097312
C 6.199458 -2.465607 0.832939
C -1.298340 1.619994 0.187272
C -2.546216 0.827201 0.143301
C -3.582606 1.235864 -0.740136
C -2.748511 -0.326991 0.948827
C -4.786243 0.521914 -0.818416
C -3.948719 -1.049103 0.878184
C -4.991298 -0.636252 -0.007027
H 3.404283 -0.269271 -1.361596
H 1.390144 1.293320 -0.791042
H 1.991655 -2.060077 -2.183850
H 0.969368 -0.699438 -1.676426
H 3.947901 -2.725754 -0.804914
H 3.401758 -2.402930 0.855205
H 3.097626 0.053684 1.294432
H 3.449179 2.692456 1.022412
H 3.904064 1.913666 -0.507650
H 0.530824 -1.882098 0.526608
H 1.389391 -3.314977 -0.089696
H 5.684411 -0.915431 -0.615099
H 5.170115 -0.560238 1.043779
H 0.702105 2.933496 1.113147
H 1.259590 1.633510 2.250280
H 1.829867 4.224016 -0.281904
H 3.516409 4.387296 -0.848793
H 2.333513 3.428130 -1.787963
H -0.269541 -3.462762 -2.036816
H -1.080585 -3.610425 -0.450085
H -1.159527 -2.071475 -1.350297
H 6.331571 -3.276309 0.091604
H 5.797433 -2.921366 1.757471
H 7.198682 -2.053428 1.064956
H -3.417801 2.124629 -1.358608
H -1.949500 -0.645046 1.624615
H -5.577231 0.850224 -1.503669
H -4.090953 -1.939075 1.503251
H -6.332878 -2.174517 0.494253
H -6.926307 -1.060446 -0.709049


