%chk=000050285.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050285

0 1
 O   -3.851000      0.9873000      0.5831000    
 O    3.819100      0.2310000     -0.1059000    
 O    2.271900      -1.219200      0.7507000    
 N    7.270100      -1.065300      3.2600001E-02
 N    1.662600      0.8769000     -0.1059000    
 C   -6.719800      -1.349000     -7.1599998E-02
 C   -5.940600     -3.9099999E-02  2.2600001E-02
 C   -8.126200      -1.120900     -0.6247000    
 C   -4.524200     -0.2630000      0.5331000    
 C   -2.491300      0.9650000      0.4111000    
 C   -8.893600      -2.427400     -0.7517000    
 C  -0.4592000       2.034500     -0.3399000    
 C   0.2760000      0.9189000      6.1099999E-02
 C   -1.842900       2.057400     -0.1651000    
 C    6.186200     -0.1384000     -0.2571000    
 C   -1.755900     -0.1506000      0.8119000    
 C  -0.3722000     -0.1739000      0.6367000    
 C    4.851500     -0.7193000      0.1817000    
 C   0.2089000       3.218400     -0.9604000    
 C    8.551100     -0.3581000      0.1058000    
 C    7.333500      -2.121600     -0.9804000    
 C    2.545900     -0.1437000      0.2323000    
 H   -6.784000      -1.811900      0.9206000    
 H   -6.181700      -2.050400     -0.7210000    
 H   -6.459900      0.6653000      0.6843000    
 H   -5.897800      0.4483000     -0.9597000    
 H   -8.678900     -0.4400000      3.3100002E-02
 H   -8.066700     -0.6436000      -1.609700    
 H   -4.027800     -0.9627000     -0.1519000    
 H   -4.551700     -0.6967000       1.539400    
 H   -9.896800      -2.240700      -1.147600    
 H   -8.998100      -2.917000      0.2218000    
 H   -8.383400      -3.117700      -1.431000    
 H   -2.426700       2.921100     -0.4740000    
 H    6.321600      0.7994000      0.2996000    
 H    6.156100      0.1569000      -1.314500    
 H   -2.219300      -1.009000       1.289400    
 H   0.1245000      -1.070500      0.9789000    
 H    4.623100      -1.645600     -0.3559000    
 H    4.861100     -0.9224000       1.259600    
 H    2.096800       1.692200     -0.5289000    
 H   0.9337000       3.658800     -0.2676000    
 H   0.7153000       2.932600      -1.888400    
 H  -0.5113000       4.003900      -1.215200    
 H    9.361900      -1.053900      0.3491000    
 H    8.798200      0.1457000     -0.8358000    
 H    8.533400      0.3907000      0.9056000    
 H    7.499200      -1.721100      -1.987400    
 H    8.150800      -2.816200     -0.7538000    
 H    6.421100      -2.725500     -0.9935000    


%chk=000050285-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050285

0 1
O -3.873816 0.733243 -0.392419
O 3.976145 0.217315 -0.004069
O 2.418068 -1.528752 0.289380
N 7.550792 -0.870089 0.206548
N 1.781549 0.710591 -0.187410
C -7.086519 -1.291734 -0.019878
C -6.141082 -0.093035 -0.262453
C -8.579262 -0.905487 -0.131983
C -4.666712 -0.483740 -0.141489
C -2.473851 0.623971 -0.321814
C -9.528647 -2.097968 0.111518
C -0.351161 1.858124 -0.520881
C 0.357202 0.648224 -0.228057
C -1.757919 1.822128 -0.562017
C 6.376170 -0.000393 -0.034249
C -1.766437 -0.566742 -0.035543
C -0.355776 -0.550313 0.010481
C 5.070760 -0.752956 0.254673
C 0.390377 3.158737 -0.783259
C 8.776973 -0.100965 0.501159
C 7.771711 -1.863661 -0.865171
C 2.670109 -0.319789 0.055141
H -6.897270 -1.720105 0.986865
H -6.864140 -2.098414 -0.749580
H -6.357555 0.712371 0.465597
H -6.316712 0.329865 -1.270431
H -8.800834 -0.098561 0.595707
H -8.769454 -0.478264 -1.137501
H -4.399023 -1.263480 -0.885937
H -4.440428 -0.873177 0.873847
H -10.588177 -1.795280 0.023511
H -9.381936 -2.523025 1.122538
H -9.346502 -2.906671 -0.621373
H -2.327663 2.730816 -0.782192
H 6.434895 0.865354 0.650082
H 6.346327 0.405332 -1.076547
H -2.288792 -1.508662 0.153253
H 0.198772 -1.464979 0.230439
H 4.926278 -1.633120 -0.396008
H 5.031506 -1.084260 1.306792
H 2.219406 1.617668 -0.355718
H 1.000696 3.473410 0.087344
H 1.066276 3.082510 -1.658754
H -0.318431 3.976095 -0.992561
H 9.593599 -0.797132 0.764392
H 9.126973 0.528347 -0.356622
H 8.604023 0.563124 1.366357
H 8.021864 -1.394889 -1.851312
H 8.605160 -2.530451 -0.581578
H 6.875070 -2.491230 -1.003316


