%chk=000006472.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006472

0 1
 O   0.3261000     -0.4716000      0.1006000    
 O  -0.5326000      -1.781500      -1.597400    
 N    3.995600     -0.1140000      1.1700000E-02
 C   -2.002000     -0.7894000      4.9300000E-02
 C   -3.112800      -1.586100     -0.6621000    
 C   -2.045500      -1.418500       1.455400    
 C   -3.011100      -3.010200     -0.1212000    
 C   -2.322400      -2.903400       1.233700    
 C   -2.205400      0.7201000      3.1599998E-02
 C  -0.6688000      -1.088200     -0.5985000    
 C   -1.757100       1.498100       1.099800    
 C   -2.841000       1.326500      -1.052700    
 C    1.649300     -0.6722000     -0.4064000    
 C   -1.943900       2.880400       1.083500    
 C   -3.027600       2.708800      -1.069000    
 C    2.631200      7.6399997E-02  0.4807000    
 C   -2.579100       3.485600     -1.0000000E-03
 C    4.946100      0.5725000      0.8901000    
 C    4.142400      0.3659000      -1.364600    
 C    4.813300      9.1399997E-02   2.325200    
 C    5.545200      0.1094000      -1.888800    
 H   -3.044200      -1.578800      -1.755700    
 H   -4.100700      -1.184300     -0.3984000    
 H   -2.870700     -0.9927000       2.042100    
 H   -1.128300      -1.285000       2.039300    
 H   -4.001000      -3.470500     -3.6300000E-02
 H   -2.419200      -3.640700     -0.7944000    
 H   -1.383300      -3.468600       1.219000    
 H   -2.938900      -3.317200       2.038200    
 H   -1.249800       1.059800       1.953900    
 H   -3.187800      0.7512000      -1.905600    
 H    1.637900     -0.2902000      -1.430400    
 H    1.874800      -1.745600     -0.4149000    
 H   -1.592300       3.486000       1.913700    
 H   -3.518800       3.180800      -1.914800    
 H    2.483700     -0.3215000       1.490800    
 H    2.354900       1.138600      0.5258000    
 H   -2.723200       4.562000     -1.4300000E-02
 H    4.822700       1.662300      0.8547000    
 H    5.975900      0.3451000      0.5963000    
 H    3.896000       1.430900      -1.458500    
 H    3.495700     -0.1876000      -2.050100    
 H    3.928000      0.4983000       2.823500    
 H    4.790000      -1.001900       2.388500    
 H    5.678500      0.4315000       2.905900    
 H    5.870300     -0.9186000      -1.694900    
 H    6.282000      0.8012000      -1.469200    
 H    5.564300      0.2574000      -2.974700    


%chk=000006472-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006472

0 1
O 0.370981 -0.488499 0.292963
O -0.524091 -1.530847 -1.577896
N 4.071196 0.059796 0.080442
C -2.057690 -0.671706 0.195325
C -3.110412 -1.709680 -0.315772
C -2.013626 -0.972837 1.720942
C -2.966342 -2.961374 0.608981
C -2.042018 -2.519151 1.790656
C -2.405695 0.781660 -0.182500
C -0.690795 -0.971710 -0.468672
C -2.364467 1.833456 0.766880
C -2.763855 1.091100 -1.522165
C 1.732722 -0.627230 -0.307177
C -2.692403 3.156952 0.393580
C -3.088775 2.412422 -1.897437
C 2.703741 0.064284 0.656947
C -3.057526 3.452512 -0.939186
C 5.141379 -0.170636 1.085963
C 4.325599 1.233611 -0.799580
C 5.207807 -1.634005 1.563029
C 5.395561 0.962905 -1.874108
H -2.948254 -1.956213 -1.377893
H -4.115243 -1.261028 -0.216706
H -2.927882 -0.554600 2.185639
H -1.134826 -0.536290 2.221957
H -3.956404 -3.284666 0.977696
H -2.528339 -3.815202 0.063056
H -1.019304 -2.916634 1.646776
H -2.398121 -2.885276 2.769770
H -2.073831 1.624273 1.801113
H -2.780056 0.293984 -2.274219
H 1.727552 -0.159960 -1.308333
H 1.973383 -1.697608 -0.425536
H -2.659467 3.956336 1.142862
H -3.364365 2.630562 -2.935542
H 2.703250 -0.484163 1.615363
H 2.336019 1.093832 0.876081
H -3.311036 4.478676 -1.228413
H 5.029038 0.510885 1.967300
H 6.106198 0.087105 0.612871
H 4.609721 2.135298 -0.199475
H 3.375258 1.486284 -1.306017
H 4.272699 -1.948339 2.061891
H 5.376348 -2.304841 0.702813
H 6.033236 -1.768306 2.287013
H 5.092807 0.110116 -2.506132
H 6.378042 0.723966 -1.428290
H 5.528683 1.852685 -2.517461


