%chk=000048096.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048096

0 1
 O  -1.7500000E-02 -0.7542000       1.121900    
 O    6.699500     -0.3311000      0.9209000    
 N   0.5972000     -0.5519000      -1.108200    
 N    4.257700     -0.1475000     -0.5301000    
 C   -2.065200       1.292400      0.1591000    
 C  -0.9875000       2.348800     -0.1206000    
 C   -3.437400       1.767000     -0.3378000    
 C   -1.691300     -4.2500000E-02 -0.4823000    
 C   -1.364300       3.707400      0.4658000    
 C   -3.810100       3.126800      0.2487000    
 C   -2.732600       4.171700     -2.3600001E-02
 C   -2.729200      -1.109600     -0.1799000    
 C  -0.2947000     -0.4906000     -4.6300001E-02
 C    1.980000     -0.9406000     -0.9534000    
 C    2.863400      0.2662000     -0.6732000    
 C   -3.002800      -2.068100      -1.136400    
 C   -3.370900      -1.092800       1.043200    
 C    5.131900       1.019200     -0.3458000    
 C    4.413200      -1.076400      0.5980000    
 C    6.578900      0.5617000     -0.1872000    
 C    5.877300      -1.484000      0.7355000    
 C   -3.955800      -3.048100     -0.8588000    
 C   -4.323700      -2.073000       1.320800    
 C   -4.616100      -3.050700      0.3697000    
 H   -2.093400       1.210900       1.252700    
 H  -0.8367000       2.453500      -1.202800    
 H  -2.3600001E-02   2.054000      0.3091000    
 H   -4.244300       1.072800     -8.8699996E-02
 H   -3.425100       1.847600      -1.433000    
 H   -1.690500      0.1120000      -1.571100    
 H   -1.370000       3.644300       1.560900    
 H  -0.6052000       4.449300      0.1932000    
 H   -4.762600       3.463100     -0.1767000    
 H   -3.960100       3.028800       1.330900    
 H   -2.685100       4.374600      -1.100600    
 H   -2.999900       5.114000      0.4676000    
 H   0.2855000     -0.3044000      -2.042200    
 H    2.280500      -1.436500      -1.883000    
 H    1.996400      -1.680800     -0.1505000    
 H    2.768900      0.9697000      -1.510700    
 H    2.510500      0.7946000      0.2226000    
 H   -2.491800      -2.075500      -2.094600    
 H   -3.155900     -0.3825000       1.831700    
 H    5.063600       1.687000      -1.212100    
 H    4.828700       1.584800      0.5449000    
 H    4.072300     -0.6092000       1.531000    
 H    3.859600      -2.007300      0.4534000    
 H    6.950200      7.0799999E-02  -1.095100    
 H    7.223100       1.424600      9.4999997E-03
 H    6.005200      -2.126900       1.612400    
 H    6.226100      -2.044900     -0.1403000    
 H   -4.182700      -3.810100      -1.598800    
 H   -4.832100      -2.081000       2.280600    
 H   -5.356500      -3.815200      0.5868000    


%chk=000048096-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048096

0 1
O -0.038449 -0.331764 1.253752
O 7.026484 -0.236300 0.805202
N 0.614460 -0.653495 -0.952604
N 4.364488 -0.370210 -0.359829
C -2.184547 1.418207 0.179802
C -1.172210 2.573131 -0.039322
C -3.593838 1.839742 -0.306885
C -1.702916 0.105368 -0.523531
C -1.641359 3.883956 0.635858
C -4.065246 3.150849 0.367012
C -3.049876 4.297094 0.149864
C -2.682815 -1.061338 -0.351711
C -0.313242 -0.300789 0.013097
C 1.977541 -1.086944 -0.611111
C 2.997219 0.075297 -0.710144
C -3.418993 -1.549063 -1.460493
C -2.885884 -1.660424 0.919711
C 5.423875 0.491827 -0.946890
C 4.574865 -0.504329 1.107467
C 6.809050 -0.103525 -0.644509
C 5.970746 -1.083748 1.386191
C -4.342570 -2.608629 -1.308783
C -3.806673 -2.719835 1.072245
C -4.540244 -3.198026 -0.039427
H -2.229760 1.204949 1.267943
H -1.054618 2.748398 -1.131272
H -0.179756 2.285414 0.356563
H -4.321734 1.030480 -0.111660
H -3.567050 1.987493 -1.408790
H -1.617159 0.324388 -1.609490
H -1.663469 3.735920 1.735219
H -0.912075 4.693534 0.437247
H -5.060647 3.438159 -0.024333
H -4.188198 2.975872 1.455986
H -3.004518 4.544288 -0.931568
H -3.384554 5.212707 0.675216
H 0.341179 -0.609742 -1.935265
H 2.291955 -1.906301 -1.281896
H 1.937395 -1.475227 0.420499
H 3.014658 0.446813 -1.753317
H 2.643181 0.917930 -0.066493
H -3.275299 -1.091562 -2.447886
H -2.302818 -1.304097 1.776423
H 5.279143 0.544262 -2.042915
H 5.380600 1.534300 -0.541371
H 4.478925 0.486478 1.618542
H 3.809612 -1.177252 1.534237
H 6.897292 -1.100066 -1.129384
H 7.614434 0.557932 -1.004723
H 6.179885 -1.113589 2.468180
H 6.038825 -2.109049 0.962611
H -4.904993 -2.971349 -2.176828
H -3.950673 -3.175733 2.058579
H -5.254530 -4.020201 0.082084


