%chk=000051778.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051778

0 1
 O   0.4037000     -0.1289000     -0.5775000    
 O    3.916100     -0.1753000      0.1669000    
 O  -0.7287000      -1.449600      0.9371000    
 O    2.568800       1.458500     -0.7464000    
 N    7.424100      0.8675000      0.6219000    
 C   -4.437400      0.4911000     -0.3142000    
 C   -3.219100     -0.2521000      0.2425000    
 C   -5.721500      6.4000003E-02  0.3997000    
 C   -1.923600      0.1338000     -0.4712000    
 C   -6.942000      0.7835000     -0.1737000    
 C  -0.7102000     -0.5972000      5.9700001E-02
 C   -8.216000      0.3863000      0.5549000    
 C    1.643400     -0.7081000     -0.1576000    
 C    1.915800      -1.922600      -1.027800    
 C    2.737100      0.3309000     -0.3005000    
 C    5.033800      0.7171000      0.1166000    
 C    6.255800      1.1000000E-03  0.6696000    
 H   -4.292000       1.571900     -0.1993000    
 H   -4.529100      0.2886000      -1.388200    
 H   -3.376100      -1.334100      0.1488000    
 H   -3.120600     -4.3699998E-02   1.315300    
 H   -5.855700      -1.020100      0.3006000    
 H   -5.634300      0.2821000       1.471100    
 H   -1.751300       1.209600     -0.3507000    
 H   -2.011600     -9.2600003E-02  -1.539800    
 H   -7.047100      0.5474000      -1.239000    
 H   -6.806600       1.868300     -9.3500003E-02
 H   -8.398000     -0.6897000      0.4687000    
 H   -9.076100      0.9117000      0.1282000    
 H   -8.155700      0.6408000       1.617900    
 H    1.603900     -0.9793000      0.9047000    
 H    1.985400      -1.637300      -2.083800    
 H    2.851600      -2.417400     -0.7497000    
 H    1.103800      -2.653000     -0.9491000    
 H    5.207300       1.017100     -0.9241000    
 H    4.809900       1.608100      0.7158000    
 H    6.446300     -0.9099000      9.1200002E-02
 H    6.066600     -0.3198000       1.700400    
 H    7.259300       1.699100       1.187500    
 H    8.218700      0.3883000       1.043500    


%chk=000051778-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051778

0 1
O 0.334678 -1.204982 -1.173107
O 3.700204 -0.392959 0.033400
O -0.168387 -0.542020 1.006160
O 2.066446 0.986578 -0.903158
N 6.612727 1.462556 1.450964
C -4.304537 0.323208 -0.381678
C -2.998570 -0.226458 0.232432
C -5.478825 0.353492 0.622037
C -1.850655 -0.281976 -0.796606
C -6.783776 0.918402 0.015563
C -0.518248 -0.668402 -0.187810
C -7.957217 0.936321 1.018697
C 1.724368 -1.478920 -0.744299
C 2.357591 -2.352964 -1.834533
C 2.468804 -0.143934 -0.562725
C 4.577342 0.794409 0.275249
C 5.731141 0.318510 1.167556
H -4.125719 1.349354 -0.766417
H -4.591882 -0.292259 -1.260246
H -3.177392 -1.240680 0.641546
H -2.687596 0.401904 1.088265
H -5.666428 -0.673180 1.000475
H -5.192500 0.961781 1.505309
H -1.708402 0.716921 -1.259000
H -2.077703 -0.972668 -1.628757
H -7.063715 0.314341 -0.871925
H -6.596910 1.946845 -0.355809
H -8.184209 -0.084056 1.381422
H -8.876831 1.344123 0.559910
H -7.715367 1.558553 1.901095
H 1.712037 -1.993624 0.233682
H 2.344472 -1.832304 -2.807019
H 3.400661 -2.588624 -1.565569
H 1.790577 -3.293636 -1.933049
H 4.950348 1.174134 -0.691119
H 3.974776 1.585665 0.757578
H 6.310862 -0.448329 0.623277
H 5.307587 -0.175046 2.070989
H 6.258287 2.134415 2.134827
H 7.600662 1.241606 1.578893


