%chk=000118219.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118219

0 1
 O  -0.6310000       1.307500      -2.075500    
 O  -0.3093000     -0.3516000       2.330400    
 O    2.929800      -1.041800      -1.671500    
 N    2.034200      0.3446000     -5.6499999E-02
 N  -0.5769000      0.3113000      6.7599997E-02
 C    1.460400       1.323500     -0.9403000    
 C    1.565900      0.6594000       1.272700    
 C    1.558800       2.625600     -0.1522000    
 C    1.556700       2.186500       1.320900    
 C  -3.5000001E-03  0.9209000      -1.086100    
 C   0.1387000      0.1225000       1.285300    
 C    2.728500     -0.7690000     -0.4868000    
 C   -1.957300     -0.1113000     -3.5999999E-03
 C    3.258800      -1.667300      0.6005000    
 C    3.976300      -2.868800      2.4200000E-02
 C   -2.491700     -0.5104000      -1.223000    
 C   -2.735700     -0.1147000       1.148000    
 C   -3.823700     -0.9187000      -1.291900    
 C   -4.067600     -0.5231000       1.078800    
 C   -4.611600     -0.9251000     -0.1411000    
 H    1.947800       1.345300      -1.918600    
 H    2.155300      0.1947000       2.065600    
 H   0.7455000       3.325600     -0.3697000    
 H    2.506100       3.130600     -0.3753000    
 H    2.463000       2.560000       1.811200    
 H   0.6940000       2.589200       1.862300    
 H    3.949900      -1.094400       1.228200    
 H    2.424600      -2.012000       1.220600    
 H   -1.905000     -0.5922000      -2.131900    
 H   -2.402100      0.2679000       2.105000    
 H    4.349800      -3.509600      0.8293000    
 H    4.831400      -2.565600     -0.5894000    
 H    3.307700      -3.469000     -0.6022000    
 H   -4.243700      -1.246300      -2.238500    
 H   -4.687700     -0.5101000       1.970500    
 H   -5.649000      -1.242100     -0.1950000    


%chk=000118219-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000118219

0 1
O -0.759050 1.340098 -2.014498
O -0.460894 -0.482536 2.320268
O 3.106336 -0.803918 -1.798342
N 2.073442 0.307406 -0.053188
N -0.667799 0.329871 0.113565
C 1.418990 1.334887 -0.879755
C 1.531376 0.528573 1.298793
C 1.588953 2.625298 -0.012540
C 1.610277 2.087904 1.458172
C -0.080163 1.007119 -1.016705
C 0.061840 0.064815 1.319025
C 2.848850 -0.735646 -0.559828
C -2.068178 -0.077030 0.030105
C 3.366819 -1.750328 0.468927
C 4.278762 -2.811121 -0.172039
C -2.477799 -0.940809 -1.009287
C -2.995833 0.398609 0.982365
C -3.832238 -1.328310 -1.095818
C -4.347044 -0.000026 0.893695
C -4.768866 -0.861463 -0.144965
H 1.857605 1.387792 -1.885763
H 2.066149 -0.019819 2.085880
H 0.778895 3.350240 -0.195636
H 2.545659 3.107680 -0.271152
H 2.551016 2.357041 1.965982
H 0.775906 2.472608 2.068477
H 3.911552 -1.210120 1.269708
H 2.500262 -2.237135 0.960722
H -1.750424 -1.294569 -1.746228
H -2.664357 1.058727 1.789011
H 4.617439 -3.536242 0.589242
H 5.164130 -2.343659 -0.634825
H 3.745675 -3.356284 -0.968625
H -4.153484 -1.993354 -1.904401
H -5.067637 0.362266 1.634625
H -5.818765 -1.166563 -0.212966


