%chk=000032947.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000032947

0 1
 O  -0.8225000      0.3126000      0.2525000    
 O   0.5432000       1.263300      -1.350000    
 N   -5.671200      0.1433000      0.2228000    
 C    1.484900      0.2271000      0.6041000    
 C    2.724200       1.093200      0.4621000    
 C    2.021000      -1.142900      0.2270000    
 C    3.829200      0.3096000      5.8800001E-02
 C    3.397200      -1.064300     -8.5400000E-02
 C   0.3748000      0.6706000     -0.2929000    
 C   -4.496500      0.5849000     -0.5191000    
 C   -3.223600      0.2105000      0.2332000    
 C    2.850500       2.454000      0.6882000    
 C    1.340200      -2.348700      0.1833000    
 C    5.072900      0.8896000     -0.1302000    
 C    4.102000      -2.198400     -0.4538000    
 C   -1.978400      0.6789000     -0.5076000    
 C   -5.650400      -1.309300      0.4044000    
 C   -6.898300      0.5512000     -0.4637000    
 C    4.104000       3.037900      0.4973000    
 C    2.051200      -3.491300     -0.1882000    
 C    5.203800       2.263800      9.1200002E-02
 C    3.418200      -3.416600     -0.5043000    
 C   -6.835100      -1.776000       1.233300    
 C   -6.941300       2.056700     -0.6631000    
 H    1.175600      0.2388000       1.655900    
 H   -4.476600      0.1570000      -1.529900    
 H   -4.476000       1.674700     -0.6219000    
 H   -3.228700      0.6346000       1.245500    
 H   -3.100700     -0.8704000      0.3515000    
 H    2.004200       3.053900       1.004300    
 H   0.2863000      -2.411900      0.4303000    
 H    5.932300      0.3048000     -0.4406000    
 H    5.158300      -2.157500     -0.6981000    
 H   -1.926000      0.2066000      -1.495700    
 H   -1.998400       1.768300     -0.6282000    
 H   -4.779900      -1.628200      0.9827000    
 H   -5.629800      -1.844600     -0.5530000    
 H   -7.777400      0.3081000      0.1419000    
 H   -7.012700      4.8400000E-02  -1.432400    
 H    4.232700       4.103900      0.6654000    
 H    1.543200      -4.451000     -0.2326000    
 H    6.170000       2.741000     -5.0400000E-02
 H    3.950700      -4.320000     -0.7903000    
 H   -6.676700      -2.813600       1.548900    
 H   -7.772100      -1.764000      0.6681000    
 H   -6.958400      -1.175200       2.141000    
 H   -7.956100       2.358300     -0.9470000    
 H   -6.283200       2.392000      -1.470700    
 H   -6.687800       2.597700      0.2550000    


%chk=000032947-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000032947

0 1
O -0.796595 0.619842 0.145990
O 0.538212 1.602061 -1.494529
N -5.685569 -0.096869 -0.081791
C 1.560505 0.610671 0.557263
C 2.903430 1.279765 0.281301
C 1.901977 -0.886427 0.451801
C 3.913069 0.292449 0.082958
C 3.294384 -1.043453 0.182520
C 0.432629 1.017835 -0.396640
C -4.513129 0.521833 -0.752364
C -3.203755 0.302243 0.039991
C 3.215021 2.647370 0.226262
C 1.061716 -2.001431 0.600646
C 5.249690 0.675672 -0.161863
C 3.852196 -2.335099 0.063358
C -2.000712 0.889781 -0.697972
C -5.768993 -1.564492 -0.323912
C -6.961908 0.605122 -0.390645
C 4.556648 3.032312 -0.020519
C 1.625318 -3.297258 0.478883
C 5.564228 2.053662 -0.210231
C 3.007618 -3.460185 0.212698
C -6.523091 -2.315894 0.789794
C -7.115629 1.936666 0.368895
H 1.203529 0.833906 1.582553
H -4.389701 0.141399 -1.799800
H -4.695713 1.609343 -0.836172
H -3.306123 0.769482 1.035408
H -3.031822 -0.777804 0.205936
H 2.438364 3.408476 0.357870
H -0.005713 -1.869568 0.805916
H 6.032353 -0.075891 -0.314430
H 4.920210 -2.469501 -0.141382
H -1.843936 0.426230 -1.689941
H -2.085582 1.983544 -0.840507
H -4.737587 -1.959570 -0.374900
H -6.238274 -1.785558 -1.316774
H -7.791187 -0.062227 -0.094034
H -7.076028 0.779100 -1.491540
H 4.817502 4.095275 -0.069758
H 0.987111 -4.180653 0.592475
H 6.595974 2.370246 -0.400289
H 3.425449 -4.469168 0.121681
H -6.537337 -3.402317 0.582063
H -7.571921 -1.979776 0.878518
H -6.029528 -2.146093 1.762344
H -8.089699 2.405202 0.133973
H -6.325078 2.661277 0.101506
H -7.059722 1.759870 1.456990


