%chk=000054189.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054189

0 1
 O   -1.150100     -0.7256000      0.2589000    
 O    5.606600      0.9530000      0.1493000    
 O    5.713900     -0.5458000      -1.594600    
 N   -5.781600      0.4165000     -0.5804000    
 C   -4.894000     -0.4542000      0.1810000    
 C   -3.437500     -0.1431000     -0.1477000    
 C   -7.111900     -0.1826000     -0.7024000    
 C   -5.874900       1.735100      4.8900001E-02
 C   -2.485600      -1.052700      0.6171000    
 C   -7.764800     -0.3520000      0.6589000    
 C   -6.744500       2.674000     -0.7699000    
 C  -0.2099000      -1.531100      0.9571000    
 C    1.176700      -1.140100      0.5380000    
 C    1.782100      -1.775000     -0.5465000    
 C    1.861000     -0.1431000       1.233500    
 C    3.755800     -0.4156000     -0.2404000    
 C    3.071700      -1.412700     -0.9356000    
 C    3.150400      0.2191000      0.8442000    
 C    5.100200     -3.7900001E-02 -0.6467000    
 C    6.928300       1.413300     -0.1526000    
 C    7.308100       2.500700      0.8298000    
 H   -5.052500     -0.3724000       1.263900    
 H   -5.065800      -1.505000     -8.8399999E-02
 H   -3.256200     -0.2567000      -1.224600    
 H   -3.178200      0.8950000      8.9400001E-02
 H   -7.760900      0.3884000      -1.374800    
 H   -7.023500      -1.165800      -1.182900    
 H   -6.210500       1.711000       1.091800    
 H   -4.880000       2.194200      7.2400004E-02
 H   -2.684000      -2.101600      0.3672000    
 H   -2.620800     -0.9144000       1.696300    
 H   -8.715000     -0.8834000      0.5247000    
 H   -8.019800      0.5970000       1.138600    
 H   -7.177700     -0.9575000       1.355000    
 H   -6.608700       3.701900     -0.4148000    
 H   -7.811100       2.449100     -0.6764000    
 H   -6.470500       2.658600      -1.830500    
 H  -0.3284000      -1.395300       2.039400    
 H  -0.3856000      -2.591500      0.7361000    
 H    1.258300      -2.551900      -1.097100    
 H    1.398500      0.3596000       2.078800    
 H    3.524800      -1.919500      -1.783700    
 H    3.644600       1.000600       1.414400    
 H    7.631600      0.5772000     -7.1900003E-02
 H    6.950600       1.810200      -1.173500    
 H    6.601100       3.335100      0.7730000    
 H    7.271000       2.122300       1.856600    
 H    8.315000       2.876300      0.6276000    


%chk=000054189-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054189

0 1
O -1.228879 -0.268457 0.515676
O 6.099712 0.657453 0.124671
O 5.174506 1.583855 -1.804143
N -6.052232 -0.009988 -0.543394
C -5.035110 -0.481539 0.428718
C -3.590196 -0.149385 -0.010691
C -7.286678 -0.836813 -0.555677
C -6.281212 1.455663 -0.473236
C -2.556790 -0.683843 0.985200
C -8.179042 -0.778890 0.716449
C -7.106722 2.003972 -1.652165
C -0.159878 -0.708903 1.405805
C 1.182020 -0.261566 0.853990
C 1.280250 0.403114 -0.392619
C 2.363021 -0.518698 1.598090
C 3.717436 0.543086 -0.141846
C 2.538412 0.802543 -0.885936
C 3.621811 -0.122683 1.108749
C 5.021964 0.985321 -0.708663
C 7.447347 1.066015 -0.370460
C 8.457966 0.613366 0.678578
H -5.209566 -0.069686 1.456968
H -5.134251 -1.582351 0.510522
H -3.408946 -0.586050 -1.008836
H -3.446790 0.943158 -0.101739
H -7.889723 -0.543414 -1.434506
H -6.976408 -1.884843 -0.732976
H -6.763918 1.758209 0.492045
H -5.289975 1.944685 -0.488603
H -2.602897 -1.795433 1.049044
H -2.740748 -0.273520 2.005117
H -9.051297 -1.448494 0.597295
H -8.562679 0.241241 0.900937
H -7.624030 -1.103911 1.615640
H -7.123919 3.108843 -1.620277
H -8.155149 1.656026 -1.628672
H -6.657954 1.687829 -2.610507
H -0.312092 -0.286327 2.426126
H -0.178304 -1.819633 1.504405
H 0.364898 0.598900 -0.956270
H 2.296637 -1.030949 2.566377
H 2.630327 1.318098 -1.847705
H 4.533087 -0.319535 1.680018
H 7.615652 0.591539 -1.354374
H 7.448130 2.161632 -0.515716
H 8.255640 1.090289 1.652987
H 8.424200 -0.481550 0.812289
H 9.478667 0.893322 0.359813


