%chk=000097689.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097689

0 1
 O   0.6774000     -0.6338000       2.028900    
 O    2.459500      -1.427800      -2.129800    
 O    4.562600     -0.1460000     -0.1050000    
 N   0.4841000     -0.4153000      -1.429800    
 N    1.887000      -1.168100      0.1203000    
 C  -0.2125000     -6.9600001E-02 -0.1932000    
 C   0.8154000     -0.6435000      0.8103000    
 C   -1.540700     -0.8152000     -1.4000000E-02
 C  -0.3638000       1.454200     -0.1451000    
 C    1.708600      -1.051600      -1.239200    
 C    3.034900      -1.784000      0.7559000    
 C   -2.287700     -0.6462000       1.154200    
 C   -1.177600       2.107700      -1.073400    
 C   -2.008400      -1.666300      -1.018000    
 C   0.3116000       2.195700      0.8269000    
 C    4.102700     -0.7592000       1.092300    
 C   -3.495600      -1.324300       1.317300    
 C   -1.315300       3.495100      -1.029700    
 C   -3.216400      -2.344400     -0.8547000    
 C   0.1738000       3.583100      0.8706000    
 C   -3.960100      -2.173400      0.3129000    
 C  -0.6397000       4.232800     -5.7700001E-02
 H   0.1228000     -0.2002000      -2.354600    
 H    3.441400      -2.534100      6.8499997E-02
 H    2.705000      -2.285100       1.672000    
 H   -1.947900      1.4900000E-02   1.946800    
 H   -1.710100       1.550100      -1.839200    
 H   -1.463300      -1.828600      -1.942500    
 H   0.9654000       1.744000       1.563800    
 H    4.954300      -1.229900       1.592900    
 H    3.708900      2.6799999E-02   1.744100    
 H   -4.075300      -1.190200       2.225900    
 H   -1.948200       4.001000      -1.752900    
 H   -3.578600      -3.005500      -1.636500    
 H   0.7019000       4.158600       1.625300    
 H   -4.900900      -2.701000      0.4398000    
 H  -0.7462000       5.313100     -2.4300000E-02
 H    4.931000     -0.8460000     -0.6707000    


%chk=000097689-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000097689

0 1
O 0.495287 -0.641339 2.159076
O 2.732846 -1.382455 -1.900847
O 4.252346 0.231446 0.189046
N 0.575587 -0.491558 -1.417561
N 1.814819 -1.253244 0.298674
C -0.225427 -0.132668 -0.219682
C 0.702470 -0.687493 0.924872
C -1.573355 -0.873920 -0.153773
C -0.336726 1.410696 -0.123761
C 1.793981 -1.069341 -1.121030
C 2.997706 -1.783441 0.984431
C -2.390834 -0.726717 0.997450
C -1.563260 2.084718 -0.330292
C -2.000659 -1.723366 -1.201044
C 0.844433 2.171227 0.090266
C 4.006313 -0.660172 1.325996
C -3.620887 -1.411042 1.087942
C -1.614363 3.497553 -0.308576
C -3.237762 -2.402794 -1.111480
C 0.789835 3.579740 0.116489
C -4.053321 -2.247334 0.031164
C -0.440988 4.249483 -0.081465
H 0.394641 -0.092356 -2.337463
H 3.459616 -2.519007 0.301485
H 2.670735 -2.294968 1.906350
H -2.050543 -0.094093 1.823580
H -2.479755 1.512101 -0.503123
H -1.361867 -1.868093 -2.078100
H 1.812365 1.671321 0.227853
H 4.946932 -1.127709 1.686579
H 3.607427 -0.009317 2.120839
H -4.239931 -1.294007 1.984195
H -2.570616 4.007536 -0.469737
H -3.558217 -3.055856 -1.930894
H 1.706769 4.153715 0.288716
H -5.010261 -2.776256 0.101883
H -0.482335 5.344154 -0.060479
H 4.366999 -0.307344 -0.639182


