%chk=000048233.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048233

0 1
 O   -4.626200      0.1327000     -6.2700003E-02
 N    5.288100      0.7075000     -8.4899999E-02
 N    1.646700     -7.7799998E-02 -0.1419000    
 N    1.192000      -2.420800     -0.2864000    
 C    3.846600      0.9541000     -7.9400003E-02
 C    3.083500     -0.3590000     -0.1796000    
 C  -0.6212000     -0.7619000     -0.1588000    
 C   0.8426000      -1.088800     -0.1955000    
 C    5.661100     -0.1676000       1.026000    
 C    6.023000       1.969500     -1.0400000E-02
 C   -1.033800      0.4365000     -0.6853000    
 C   -1.479900      -1.676000      0.3987000    
 C   -3.298100     -0.1632000     -9.3500003E-02
 C   -2.394700      0.7409000     -0.6521000    
 C   -2.840700      -1.371700      0.4319000    
 C   -4.982400       1.511700      2.4900001E-02
 C   -6.306200       1.633900      0.7490000    
 H    3.573800       1.584500     -0.9355000    
 H    3.537600       1.497200      0.8241000    
 H    3.348100     -0.8707000      -1.113400    
 H    3.311100      -1.015200      0.6661000    
 H    5.364000      -1.205600      0.8471000    
 H    5.252100      0.1705000       1.985200    
 H    6.752700     -0.2067000       1.129600    
 H    7.102300       1.792100     -7.4500002E-02
 H    5.817100       2.514400      0.9182000    
 H    5.763200       2.617200     -0.8553000    
 H  -0.3500000       1.146300      -1.140000    
 H   -1.150000      -2.612200      0.8363000    
 H   -2.712800       1.678200      -1.098900    
 H   -3.539600      -2.077400      0.8728000    
 H   -4.242400       2.089100      0.5932000    
 H   -5.073300       1.924900     -0.9856000    
 H    2.161700      -2.715800     -0.3100000    
 H   0.5064000      -3.159100     -0.4031000    
 H   -6.616000       2.680100      0.8251000    
 H   -7.086100       1.072500      0.2239000    
 H   -6.235100       1.212200       1.757100    


%chk=000048233-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048233

0 1
O -4.742254 0.185403 0.252718
N 5.438713 0.611924 -0.065591
N 1.730927 -0.145399 0.104640
N 1.162958 -2.429595 -0.399034
C 3.978267 0.832845 0.067617
C 3.165416 -0.473263 -0.022163
C -0.611981 -0.770911 -0.001316
C 0.843856 -1.099096 -0.097333
C 6.047534 0.018484 1.142312
C 6.155461 1.832850 -0.486489
C -1.018969 0.583460 -0.089052
C -1.614747 -1.762816 0.185108
C -3.364024 -0.055654 0.163162
C -2.376733 0.949934 -0.010551
C -2.974953 -1.414193 0.265137
C -5.206167 1.584996 0.170608
C -6.726447 1.553183 0.302411
H 3.647415 1.488260 -0.758545
H 3.708426 1.354188 1.019972
H 3.414922 -0.967512 -0.991292
H 3.483164 -1.172282 0.786158
H 5.559690 -0.940160 1.389215
H 5.972757 0.683367 2.041589
H 7.117248 -0.186694 0.955886
H 7.222515 1.598422 -0.655585
H 6.102691 2.663829 0.263585
H 5.732978 2.204585 -1.436852
H -0.237215 1.339488 -0.212057
H -1.342637 -2.817359 0.313085
H -2.652128 2.006003 -0.085858
H -3.749678 -2.171648 0.417920
H -4.742595 2.175493 0.987545
H -4.894413 2.020592 -0.801045
H 2.135893 -2.719762 -0.450709
H 0.452224 -3.085978 -0.709851
H -7.134281 2.579011 0.248915
H -7.174944 0.954849 -0.508861
H -7.023689 1.107652 1.267000


