%chk=000097364.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097364

0 1
 O  -0.4615000       1.429200     -0.7121000    
 O   -3.028700      -1.085800     -0.7548000    
 O   -4.762500      0.2259000     -0.1054000    
 N   0.8294000      -1.439500     -0.7881000    
 N   -1.297700     -2.7600000E-02  0.8908000    
 C    3.560400     -0.2024000     -0.1463000    
 C    2.207300      0.5315000     -0.2652000    
 C   0.9868000     -0.3128000      0.1354000    
 C    3.757400     -0.6908000       1.291600    
 C    4.742200      0.6768000     -0.5578000    
 C  -0.3161000      0.4743000      4.9100000E-02
 C   -2.628900      0.5292000      0.9673000    
 C   -3.588100     -0.1081000     -4.6999999E-03
 H    3.565600      -1.073700     -0.8116000    
 H    2.090800      0.8879000      -1.298200    
 H    2.229900       1.436300      0.3576000    
 H    1.092900     -0.6820000       1.160300    
 H    4.767100      -1.095000       1.426000    
 H    3.064200      -1.498100       1.545500    
 H    3.625700      0.1223000       2.013400    
 H    4.822000       1.559500      8.5800000E-02
 H    5.684500      0.1225000     -0.4940000    
 H    4.624800       1.020800      -1.590700    
 H   2.8500000E-02  -2.003300     -0.5034000    
 H    1.636400      -2.057500     -0.7212000    
 H   -1.095300     -0.8439000       1.460500    
 H   -2.583200       1.602200      0.7589000    
 H   -2.994400      0.3562000       1.983300    
 H   -3.672700      -1.484500      -1.378200    


%chk=000097364-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097364

0 1
O -0.243899 1.643760 1.154771
O -2.856421 -0.370889 -1.531331
O -4.768121 0.490366 -0.532267
N 0.711877 -1.790635 0.196477
N -1.415165 -0.342885 0.766600
C 3.493000 -0.280740 -0.120656
C 2.079308 0.354028 -0.079296
C 1.032117 -0.443457 0.741444
C 4.157573 -0.320010 1.277199
C 4.387268 0.490072 -1.121303
C -0.262869 0.398596 0.901691
C -2.729619 0.264466 0.825358
C -3.567181 0.156357 -0.445553
H 3.396007 -1.326711 -0.486417
H 1.694618 0.463895 -1.115691
H 2.134517 1.376195 0.340638
H 1.420008 -0.584322 1.769569
H 5.176786 -0.744522 1.215703
H 3.587656 -0.934528 1.999050
H 4.239974 0.700809 1.696700
H 4.509888 1.543156 -0.803059
H 5.394276 0.037980 -1.188624
H 3.946185 0.494669 -2.135723
H 0.743977 -1.825011 -0.829724
H 1.257241 -2.551827 0.610625
H -1.244825 -1.330496 0.519451
H -2.580620 1.341298 1.045641
H -3.347819 -0.146319 1.646780
H -3.458934 -0.393692 -2.324254


