%chk=000101895.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101895

0 1
 O    4.048700      -1.518100     -0.4783000    
 N    2.240600      -2.648400       1.054000    
 N    2.725300      -1.307000     -0.8750000    
 C  -0.2022000     -0.5856000      0.4429000    
 C   0.4206000      -1.760000     -0.3489000    
 C   -1.703300     -0.4311000      0.2219000    
 C   0.5321000      0.7316000      0.2199000    
 C   -2.474400      8.6300001E-02   1.240700    
 C    1.577300       1.059700       1.057000    
 C   -2.238800     -0.8134000     -0.9893000    
 C   0.1274000       1.551700     -0.8119000    
 C    1.912000      -1.905900     -5.6100000E-02
 C   -3.847300      0.2278000       1.038500    
 C    2.249400       2.264800      0.8529000    
 C   -3.611800     -0.6716000      -1.191300    
 C   0.7996000       2.756700      -1.016000    
 C   -4.415900     -0.1510000     -0.1774000    
 C    1.860600       3.113300     -0.1836000    
 H  -8.4399998E-02 -0.8477000       1.506300    
 H   0.3380000      -1.609000      -1.432000    
 H  -8.5299999E-02  -2.702500     -0.1063000    
 H   -2.039800      0.3853000       2.189600    
 H    1.885300      0.4105000       1.870800    
 H   -1.652500      -1.205000      -1.811200    
 H  -0.6735000       1.301800      -1.497200    
 H   -4.473300      0.6340000       1.827600    
 H    3.075100       2.542800       1.501500    
 H   -4.054600     -0.9623000      -2.139600    
 H   0.5013000       3.415100      -1.826700    
 H   -5.484700     -3.9500002E-02 -0.3352000    
 H    2.384800       4.050900     -0.3434000    
 H    1.532400      -3.072100       1.644100    
 H    3.209300      -2.786900       1.320600    
 H    4.537100      -1.023000      -1.157500    


%chk=000101895-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000101895

0 1
O 4.195604 -2.111646 -0.393287
N 2.182261 -2.508512 1.135878
N 2.887258 -1.692929 -0.999902
C -0.167698 -0.555691 0.402412
C 0.513969 -1.633347 -0.507956
C -1.686079 -0.484569 0.188432
C 0.513051 0.813803 0.227016
C -2.496381 0.067132 1.215482
C 1.605186 1.174637 1.055492
C -2.318802 -0.919005 -1.003917
C 0.097711 1.718856 -0.782579
C 1.936469 -1.957215 -0.109613
C -3.894500 0.180019 1.061524
C 2.267919 2.410374 0.882108
C -3.719991 -0.807280 -1.163919
C 0.759792 2.953691 -0.960177
C -4.514090 -0.257913 -0.133131
C 1.847366 3.305730 -0.127537
H -0.003313 -0.861177 1.456199
H 0.543640 -1.282961 -1.553729
H -0.090190 -2.562779 -0.476985
H -2.021291 0.418669 2.140119
H 1.945215 0.478879 1.832694
H -1.725704 -1.350432 -1.817334
H -0.756015 1.464558 -1.421321
H -4.499856 0.607471 1.868985
H 3.111290 2.671828 1.531556
H -4.189323 -1.149729 -2.093380
H 0.424094 3.643547 -1.743097
H -5.599527 -0.172641 -0.256607
H 2.358511 4.265721 -0.262659
H 1.426945 -2.776939 1.758540
H 3.147820 -2.737494 1.366769
H 4.833759 -1.860456 -1.104678


