%chk=000026220.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026220

0 1
 O  -0.7822000       1.349300       1.103700    
 O   -2.489400      -3.350100      5.2000001E-02
 N   -1.408000      -1.364800      0.7198000    
 N   -5.377500     -5.0900001E-02  -1.716900    
 C    3.456500       1.231100      0.4208000    
 C    4.142100      0.1415000     -0.4087000    
 C    1.957200       1.356300      0.1404000    
 C    5.653700      6.5300003E-02 -0.1831000    
 C    1.329600       2.471200      0.9759000    
 C    6.295600     -0.9878000      -1.087600    
 C  -0.1698000       2.577400      0.7354000    
 C    7.802900      -1.042600     -0.8962000    
 C   -1.909300      0.9883000      0.4121000    
 C   -2.230600     -0.3547000      0.2156000    
 C   -2.740000       1.986100     -9.7999997E-02
 C   -3.382500     -0.7000000     -0.4911000    
 C   -4.213100      0.2977000      -1.001400    
 C   -3.891800       1.640800     -0.8047000    
 C   -1.578800      -2.750600      0.6145000    
 C  -0.4647000      -3.503500       1.297500    
 H    3.612100       1.020100       1.486100    
 H    3.941000       2.193700      0.2148000    
 H    3.946900      0.3310000      -1.471700    
 H    3.689200     -0.8293000     -0.1724000    
 H    1.475900      0.3961000      0.3595000    
 H    1.798500       1.561000     -0.9252000    
 H    6.102800       1.045200     -0.3856000    
 H    5.856700     -0.1728000      0.8679000    
 H    1.806100       3.430300      0.7428000    
 H    1.508400       2.261400       2.037700    
 H    5.867900      -1.973800     -0.8718000    
 H    6.076500     -0.7615000      -2.137700    
 H  -0.5832000       3.384100       1.351200    
 H  -0.3196000       2.817200     -0.3254000    
 H    8.264300     -7.9700001E-02  -1.137600    
 H    8.240700      -1.802700      -1.550700    
 H    8.057800      -1.296500      0.1377000    
 H   -2.547300       3.043300      5.8400001E-02
 H   -3.689700      -1.719100     -0.6790000    
 H   -4.535000       2.427000      -1.191600    
 H  -0.5858000      -1.039600       1.224300    
 H   -5.613000      -1.024000      -1.859800    
 H   -5.979900      0.6727000      -2.085900    
 H  -0.4412000      -3.246300       2.360200    
 H   0.4932000      -3.244800      0.8375000    
 H  -0.6281000      -4.580000       1.196400    


%chk=000026220-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000026220

0 1
O -0.717562 0.960708 0.437586
O -3.125338 -3.362097 0.424710
N -1.751435 -1.460064 0.528391
N -6.108163 0.215360 -1.095015
C 3.691472 1.124131 0.400261
C 4.577926 0.324088 -0.580570
C 2.239619 1.302896 -0.096692
C 6.028006 0.135673 -0.080397
C 1.367112 2.116234 0.884863
C 6.916341 -0.660194 -1.063763
C -0.083932 2.289010 0.428598
C 8.363281 -0.842777 -0.556512
C -2.075459 0.879450 0.035104
C -2.630997 -0.436838 0.083942
C -2.871582 1.958148 -0.387494
C -3.971972 -0.652083 -0.293725
C -4.777810 0.441294 -0.723196
C -4.217069 1.745974 -0.765934
C -2.006741 -2.818010 0.679851
C -0.818858 -3.635351 1.187774
H 3.681028 0.612049 1.385523
H 4.147209 2.121739 0.574737
H 4.594103 0.839412 -1.563839
H 4.120116 -0.671210 -0.760463
H 1.776369 0.310348 -0.260486
H 2.248899 1.809582 -1.084496
H 6.486176 1.130510 0.102076
H 6.013741 -0.383614 0.900999
H 1.802725 3.127900 1.017375
H 1.371032 1.635184 1.882922
H 6.458386 -1.653988 -1.245679
H 6.929662 -0.140861 -2.043899
H -0.642192 2.960328 1.113865
H -0.129850 2.709434 -0.598467
H 8.852350 0.136452 -0.394207
H 8.977878 -1.412073 -1.277965
H 8.379833 -1.388288 0.406071
H -2.462337 2.971772 -0.429072
H -4.369482 -1.668646 -0.246764
H -4.827401 2.595684 -1.093180
H -0.815691 -1.114588 0.762200
H -6.502183 -0.719497 -1.058622
H -6.700469 0.979521 -1.403354
H 0.089992 -3.035755 1.369871
H -0.584974 -4.423415 0.451131
H -1.106655 -4.140533 2.126042


