%chk=000157524.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157524

0 1
 O    1.359300       1.129500       2.152500    
 O   -2.777700      -2.356900      0.9807000    
 O   -4.344200      -1.319000     -0.1624000    
 N   -3.189200      -1.374800      0.3203000    
 C  -0.1787000      0.7368000      0.4346000    
 C   -2.716900      0.8399000     -0.6183000    
 C   -2.309000     -0.2773000      0.1103000    
 C   -1.021600     -0.3296000      0.6444000    
 C  -0.5498000       1.852600     -0.2788000    
 C   -1.837300       1.904900     -0.8128000    
 C    1.200000      0.6807000       1.007700    
 C    2.327200      0.1269000      0.2740000    
 C   -4.089900      0.9283000      -1.202400    
 C    2.143200     -0.3754000      -1.014200    
 C    3.593100      9.9699996E-02  0.8589000    
 C    3.225200     -0.9047000      -1.717500    
 C    4.675200     -0.4296000      0.1556000    
 C    4.491200     -0.9318000      -1.132700    
 H  -0.6701000      -1.183400       1.217400    
 H   0.1318000       2.683700     -0.4319000    
 H   -2.137000       2.783900      -1.377300    
 H   -4.263600      0.1592000      -1.962400    
 H   -4.865700      0.9370000     -0.4297000    
 H   -4.214300       1.880600      -1.734700    
 H    1.175800     -0.3739000      -1.507100    
 H    3.763500      0.4847000       1.860800    
 H    3.082500      -1.295900      -2.720600    
 H    5.661000     -0.4508000      0.6107000    
 H    5.333700      -1.343900      -1.680300    


%chk=000157524-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157524

0 1
O 1.746019 2.378013 1.004445
O -1.819856 -2.569998 -0.259517
O -3.916818 -1.737242 -0.523278
N -2.645103 -1.580122 -0.361184
C -0.073919 1.147967 0.052489
C -2.915527 0.954920 -0.459072
C -2.090974 -0.198830 -0.290704
C -0.700443 -0.111715 -0.044592
C -0.873857 2.314078 -0.091806
C -2.249611 2.208686 -0.351254
C 1.383375 1.320959 0.397366
C 2.390325 0.268806 0.040633
C -4.404436 0.947617 -0.733633
C 2.242836 -0.595821 -1.078715
C 3.574761 0.192994 0.824420
C 3.256336 -1.525570 -1.396905
C 4.577234 -0.745508 0.514263
C 4.419639 -1.609402 -0.597371
H -0.144235 -1.041132 0.098894
H -0.392469 3.291594 0.014578
H -2.844926 3.119943 -0.472123
H -4.650547 0.376755 -1.645590
H -4.964274 0.455173 0.080121
H -4.770519 1.981810 -0.846982
H 1.358817 -0.520847 -1.720303
H 3.685240 0.882713 1.667620
H 3.139744 -2.180636 -2.266782
H 5.480082 -0.805981 1.131355
H 5.200805 -2.337825 -0.841574


