%chk=000054502.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054502

0 1
 O   0.5727000     -8.0899999E-02  0.2767000    
 O   -2.863200       2.140700     -0.2819000    
 O  -0.3666000      -2.122700     -0.1462000    
 N    4.258000     -0.1326000      0.3288000    
 N   -1.667800     -0.2122000      0.2242000    
 C    4.654400     -0.3256000      -1.073200    
 C    5.211800      0.7332000       1.036100    
 C    6.046000     -0.9522000      -1.171800    
 C    6.621800      0.1410000       1.006600    
 C    7.082400     -0.1225000     -0.4224000    
 C    2.907300      0.4232000      0.4065000    
 C    1.866700     -0.6609000      0.1754000    
 C  -0.4937000     -0.9281000      9.3199998E-02
 C   -2.994300     -0.6876000      0.1126000    
 C   -4.079300      0.1739000      0.2744000    
 C   -3.877300       1.624900      0.5701000    
 C   -3.211000      -2.037900     -0.1629000    
 C   -5.380900     -0.3147000      0.1606000    
 C   -4.512500      -2.526400     -0.2768000    
 C   -5.597400      -1.664900     -0.1151000    
 C   -2.631600       3.521800     -4.0300000E-02
 C   -1.545500       4.010600     -0.9747000    
 H    4.645800      0.6288000      -1.616500    
 H    3.961400     -0.9974000      -1.590000    
 H    4.913300      0.8385000       2.086300    
 H    5.224100       1.739600      0.5972000    
 H    6.022000      -1.968200     -0.7575000    
 H    6.337600      -1.043200      -2.224400    
 H    7.321100      0.8253000       1.500000    
 H    6.638000     -0.7978000       1.574800    
 H    8.047500     -0.6409000     -0.4174000    
 H    7.231500      0.8325000     -0.9411000    
 H    2.760700       1.262700     -0.2860000    
 H    2.718800      0.8367000       1.406900    
 H    1.969500      -1.450100      0.9305000    
 H    1.966000      -1.106400     -0.8196000    
 H   -1.556100      0.7762000      0.4305000    
 H   -3.584800       1.741800       1.620800    
 H   -4.802400       2.189000      0.4014000    
 H   -2.427100      -2.768600     -0.3016000    
 H   -6.237400      0.3425000      0.2855000    
 H   -4.682700      -3.577500     -0.4913000    
 H   -6.610700      -2.045500     -0.2032000    
 H   -2.317100       3.667800      0.9991000    
 H   -3.552200       4.089200     -0.2168000    
 H   -1.339700       5.072500     -0.8140000    
 H   -1.839300       3.861100      -2.018900    
 H  -0.6212000       3.443700     -0.8203000    


%chk=000054502-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054502

0 1
O 0.506917 -0.026624 0.262665
O -2.826881 2.184439 -0.156993
O -0.368988 -2.212898 0.187855
N 4.246409 0.063251 0.178226
N -1.732622 -0.267291 0.125253
C 4.691815 -0.574176 -1.088276
C 5.210116 1.099455 0.628156
C 6.070691 -1.242366 -0.915111
C 6.606392 0.486334 0.860465
C 7.116018 -0.217696 -0.418372
C 2.848427 0.550010 0.118554
C 1.870142 -0.606532 0.364309
C -0.545364 -0.967309 0.189212
C -3.041370 -0.795408 -0.016975
C -4.133463 0.117204 0.138852
C -3.916035 1.539094 0.617519
C -3.294261 -2.157577 -0.324803
C -5.449915 -0.352760 -0.064891
C -4.621451 -2.603057 -0.498219
C -5.706579 -1.705683 -0.381221
C -2.514655 3.544440 0.323437
C -1.329676 4.060075 -0.491574
H 4.751044 0.185132 -1.914111
H 3.944592 -1.328851 -1.393460
H 4.830723 1.543693 1.567299
H 5.298269 1.929273 -0.123889
H 5.976336 -2.064107 -0.179528
H 6.387388 -1.687036 -1.878229
H 7.309572 1.280979 1.176771
H 6.535732 -0.249596 1.684618
H 8.085763 -0.714741 -0.226673
H 7.292322 0.540486 -1.209904
H 2.602035 1.041061 -0.854514
H 2.701388 1.307686 0.910104
H 2.013306 -1.035811 1.371338
H 1.972354 -1.417776 -0.377724
H -1.679664 0.765747 0.062107
H -3.623717 1.547436 1.693351
H -4.848089 2.128996 0.507244
H -2.451839 -2.846560 -0.416230
H -6.285955 0.350166 0.038198
H -4.803949 -3.657095 -0.735732
H -6.734487 -2.051728 -0.531007
H -2.272501 3.507240 1.408657
H -3.409059 4.189572 0.188985
H -1.060406 5.083076 -0.171665
H -1.580392 4.083186 -1.565794
H -0.449833 3.407049 -0.353980


