%chk=000116754.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116754

0 1
 O   -1.724500     -0.9888000     -0.9844000    
 O    1.852800      -1.564200       1.175200    
 O    3.026300      0.2182000      -1.489500    
 N    1.259500      0.3722000      3.3300001E-02
 N  -0.3592000      -1.126900      0.8789000    
 C   -1.135000       1.101800      0.1588000    
 C   -1.464100     -0.3960000      0.2838000    
 C   0.2199000       1.217500     -0.5592000    
 C   -1.064400       1.756700       1.554000    
 C   -2.203300       1.845800     -0.6628000    
 C   0.9826000     -0.8193000      0.7150000    
 C    2.637300      0.7556000     -0.2402000    
 C   -2.027900      -2.372500     -0.8628000    
 H   -2.341100     -0.5342000      0.9287000    
 H   0.1363000      0.9168000      -1.611000    
 H   0.5613000       2.259600     -0.5419000    
 H  -0.8185000       2.821900       1.475200    
 H   -2.027000       1.676600       2.071800    
 H  -0.3069000       1.294600       2.195300    
 H   -1.973600       2.915200     -0.7329000    
 H   -2.271200       1.458500      -1.685300    
 H   -3.192300       1.744500     -0.2021000    
 H  -0.5799000      -1.972300       1.396400    
 H    3.297500      0.3478000      0.5312000    
 H    2.732500       1.845500     -0.2526000    
 H   -2.432200      -2.709700      -1.821800    
 H   -2.786900      -2.551500     -9.4400004E-02
 H   -1.128000      -2.961700     -0.6633000    
 H    3.947200      0.4894000      -1.643700    


%chk=000116754-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000116754

0 1
O -1.753663 -0.890997 -1.026345
O 2.094121 -1.392671 0.982355
O 3.356347 0.008446 -1.193661
N 1.280820 0.558317 -0.008993
N -0.214470 -1.063078 0.867196
C -1.149936 1.122553 0.194624
C -1.398369 -0.408181 0.323636
C 0.154302 1.291557 -0.631444
C -0.999140 1.738021 1.608400
C -2.320197 1.799101 -0.554438
C 1.104397 -0.667615 0.617196
C 2.682655 0.928785 -0.291818
C -2.053294 -2.322959 -1.078959
H -2.251068 -0.614768 1.007562
H -0.020531 0.929984 -1.664217
H 0.420421 2.363579 -0.676423
H -0.824773 2.826780 1.529906
H -1.921982 1.589024 2.199391
H -0.157302 1.294249 2.165757
H -2.140782 2.887397 -0.637628
H -2.445682 1.375684 -1.563503
H -3.269254 1.655186 -0.005355
H -0.294739 -1.962464 1.342750
H 3.224294 0.990227 0.672123
H 2.680307 1.905398 -0.798821
H -2.403972 -2.519945 -2.103670
H -2.854128 -2.596349 -0.358039
H -1.153233 -2.937835 -0.878366
H 3.446054 -0.846327 -0.689514


