%chk=000031576.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031576

0 1
 O   -2.878100      0.4612000      0.6224000    
 N  -0.8118000     -0.2869000     -0.2173000    
 C   -1.973600      0.5337000     -0.4847000    
 C   0.4880000      0.1631000     -0.1580000    
 C    1.293600     -0.9431000      0.1206000    
 C  -0.8554000      -1.635600      1.3400000E-02
 C   0.4324000      -2.070900      0.2257000    
 C   -2.705700      7.0900001E-02  -1.740100    
 C    1.006900       1.451600     -0.3279000    
 C    2.685500     -0.7566000      0.2360000    
 C    2.390300       1.612200     -0.2092000    
 C    3.218600      0.5266000      6.8599999E-02
 C   -2.290900      0.8739000       1.850600    
 H   -1.674000       1.576600     -0.6206000    
 H   -1.790500      -2.179500      1.5600000E-02
 H   0.7222000      -3.091300      0.4361000    
 H   -2.043100      6.6600002E-02  -2.611600    
 H   -3.128600     -0.9325000      -1.619000    
 H   -3.550500      0.7367000      -1.948300    
 H   0.3785000       2.308200     -0.5439000    
 H    3.342700      -1.594100      0.4521000    
 H    2.825900       2.600200     -0.3355000    
 H    4.291400      0.6765000      0.1564000    
 H   -1.596000      0.1230000       2.236100    
 H   -3.094500      0.9860000       2.584100    
 H   -1.790800       1.841600       1.742600    


%chk=000031576-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000031576

0 1
O -2.938461 0.445539 0.625756
N -0.807866 -0.301754 -0.268309
C -2.009677 0.516184 -0.504471
C 0.520037 0.163074 -0.176756
C 1.356777 -0.977405 0.104564
C -0.811324 -1.691291 -0.042569
C 0.486861 -2.133534 0.187536
C -2.807130 0.065840 -1.731593
C 1.055286 1.463849 -0.324453
C 2.757926 -0.792861 0.242011
C 2.449672 1.617041 -0.180193
C 3.293217 0.501588 0.099869
C -2.370348 0.968021 1.877757
H -1.656445 1.561387 -0.631352
H -1.748588 -2.244401 -0.041379
H 0.784041 -3.160314 0.394073
H -2.169873 0.088472 -2.631580
H -3.188189 -0.959676 -1.591438
H -3.669921 0.735696 -1.879524
H 0.426746 2.332778 -0.547187
H 3.411585 -1.646299 0.454169
H 2.893532 2.613149 -0.287775
H 4.372391 0.660551 0.202727
H -1.502633 0.366184 2.208970
H -3.177924 0.899593 2.622358
H -2.057191 2.026689 1.762989


