%chk=000128360.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128360

1 1
 O    2.478600      0.6085000      0.9293000    
 O    2.002400      -2.311800      -1.111700    
 O    4.219400      -1.835300      0.3859000    
 O    3.928700       2.908300      0.2430000    
 O   -3.645400      -1.326900      0.4096000    
 N   0.2928000      1.7800000E-02  0.2199000    
 N   -1.352700       1.430200     -0.2751000    
 N  -0.8709000      -1.985100      0.7439000    
 N   -5.638700      0.5231000     -0.2315000    
 N   -6.687800      0.2592000     -0.2109000    
 C    2.337500     -0.9678000     -0.8326000    
 C    1.656100     -0.4637000      0.4304000    
 C    3.800300     -0.7813000     -0.4810000    
 C    3.781500      0.5250000      0.3066000    
 C    3.971900       1.751800     -0.5744000    
 C  -0.8699000     -0.6894000      0.3663000    
 C  -5.0700001E-02   1.286000     -0.1664000    
 C   -1.869400      0.2027000      5.6100000E-02
 C   -3.258700     -2.9700000E-02  5.2900001E-02
 C   -4.225000      0.8783000     -0.2602000    
 H    2.073000     -0.3527000      -1.700500    
 H    1.618600      -1.225300       1.217200    
 H    4.460500     -0.7821000      -1.353000    
 H    4.517300      0.5322000       1.118700    
 H    3.181900       1.846200      -1.325900    
 H    4.940100       1.725200      -1.082800    
 H    2.286000      -2.855400     -0.3571000    
 H    5.144700      -1.660200      0.6286000    
 H   0.6805000       2.059000     -0.3595000    
 H    3.065700       2.918300      0.6915000    
 H  -2.4800001E-02  -2.518200      0.9141000    
 H   -1.735700      -2.505300      0.8562000    
 H   -3.969200       1.894500     -0.5422000    
 H   -4.616900      -1.369500      0.3725000    


%chk=000128360-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128360

1 1
O 2.356866 1.075561 0.353968
O 1.860068 -2.503198 -0.242649
O 4.198161 -1.840939 0.471287
O 4.604972 2.944158 -0.050713
O -3.654544 -1.578125 -0.014893
N 0.156779 0.225170 0.304379
N -1.705413 1.545765 0.254720
N -0.794288 -2.006753 0.137966
N -5.753860 0.490738 -0.063166
N -6.911525 0.288776 -0.144734
C 2.161626 -1.115603 -0.544201
C 1.570182 -0.136385 0.512462
C 3.691572 -0.812985 -0.449275
C 3.781316 0.622207 0.148644
C 4.463979 1.667708 -0.737124
C -0.909014 -0.663458 0.197325
C -0.383374 1.543500 0.342028
C -2.085572 0.181123 0.163652
C -3.429055 -0.211809 0.056416
C -4.456581 0.779950 0.030268
H 1.771366 -0.874246 -1.546598
H 1.692924 -0.573142 1.528550
H 4.184353 -0.893993 -1.435502
H 4.268583 0.583786 1.141563
H 3.913929 1.768351 -1.697356
H 5.498196 1.346373 -0.952094
H 2.668563 -2.871303 0.226109
H 5.172242 -1.975663 0.386111
H 0.262061 2.411560 0.430727
H 3.708437 3.326468 0.125743
H 0.141290 -2.468479 0.072982
H -1.655394 -2.551754 0.069776
H -4.163698 1.832766 0.093697
H -4.603447 -1.849526 -0.092169


