%chk=000139431.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000139431

0 1
 O   -2.325100      -2.159700      0.8753000    
 O   -2.314100       1.918100      -1.297800    
 N   -1.995600     -0.1943000     -0.3486000    
 N   0.2906000      9.1200002E-02  0.1032000    
 C   -4.027300     -0.4599000      0.7598000    
 C   -4.025900      0.8799000      4.2900000E-02
 C  -0.6553000     -0.4491000     -0.8409000    
 C   -2.689800      -1.070400      0.4547000    
 C   -2.685800      0.9638000     -0.6288000    
 C    1.664900     -1.2100000E-02 -4.1000001E-02
 C    2.552000      0.5322000      0.9081000    
 C    2.211000     -0.6738000      -1.157400    
 C    3.932900      0.4186000      0.7463000    
 C    2.023000       1.244200       2.110600    
 C    3.591800     -0.7875000      -1.319100    
 C    4.452700     -0.2412000     -0.3673000    
 H   -4.824200      -1.110700      0.3881000    
 H   -4.137400     -0.3333000       1.840800    
 H   -4.139000       1.709300      0.7471000    
 H   -4.819500      0.9316000     -0.7084000    
 H  -0.5276000      -1.532300     -0.9433000    
 H  -0.5453000      3.3799998E-02  -1.818100    
 H  -8.3499998E-02  0.5719000      0.9120000    
 H    1.580600      -1.113700      -1.925600    
 H    4.618300      0.8382000       1.478000    
 H    1.407300      0.5710000       2.716400    
 H    2.830700       1.610200       2.754200    
 H    1.428700       2.114200       1.812200    
 H    3.997200      -1.300800      -2.186200    
 H    5.527800     -0.3297000     -0.4936000    


%chk=000139431-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000139431

0 1
O -2.340089 -0.448147 2.143541
O -1.747308 -0.308941 -2.500392
N -1.826156 -0.577599 -0.152585
N 0.391843 -1.182606 0.743554
C -3.502319 1.003855 0.457464
C -3.294200 1.056137 -1.076269
C -0.759886 -1.621380 -0.001225
C -2.524640 -0.063129 0.962478
C -2.217989 0.006397 -1.381536
C 1.418023 -0.359618 0.225697
C 2.456659 0.074379 1.114066
C 1.457586 0.021054 -1.144063
C 3.502056 0.869781 0.595286
C 2.432603 -0.326053 2.578889
C 2.521346 0.809435 -1.632546
C 3.551200 1.241511 -0.768898
H -4.527684 0.718231 0.748297
H -3.279121 1.960764 0.959317
H -2.939160 2.038623 -1.431648
H -4.205049 0.815145 -1.650134
H -1.220307 -2.471098 0.529872
H -0.494980 -1.930407 -1.026051
H 0.302644 -1.235546 1.758230
H 0.663910 -0.282145 -1.834924
H 4.296398 1.199159 1.276639
H 2.457127 -1.427131 2.704338
H 3.304922 0.086865 3.112166
H 1.527018 0.046003 3.101623
H 2.534586 1.089588 -2.691998
H 4.375070 1.856572 -1.145589


