%chk=000048482.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048482

0 1
 O    1.551500      0.8678000     -1.1400000E-02
 O   -1.207400      0.2476000       2.330900    
 O   -1.243800      0.1114000      -2.362700    
 O    1.134700      -2.977600      5.7500001E-02
 N   4.1099999E-02  -1.302700       1.190700    
 N   2.3499999E-02  -1.370400      -1.154000    
 C  -0.8293000      0.6381000     -3.2299999E-02
 C   -2.144300       1.431000     -4.5100000E-02
 C   0.3564000       1.618800     -6.9700003E-02
 C  -0.7195000     -0.1458000       1.271800    
 C  -0.7391000     -0.2200000      -1.290200    
 C   -3.333700      0.5086000      9.8899998E-02
 C   0.4616000      -1.945800      3.2699998E-02
 C    2.704700       1.703200     -4.1200001E-02
 C    3.943700      0.8357000      2.4100000E-02
 H   -2.245000       2.007200     -0.9734000    
 H   -2.165000       2.160900      0.7744000    
 H   0.3161000       2.304600      0.7862000    
 H   0.3391000       2.211100     -0.9935000    
 H   -3.373200     -0.2465000     -0.6920000    
 H   -3.363600     -6.6999998E-03   1.062600    
 H   -4.257600       1.093600      2.8000001E-02
 H   0.2468000      -1.773300       2.067600    
 H   0.2161000      -1.890900      -2.005200    
 H    2.712200       2.289100     -0.9670000    
 H    2.687100       2.387600      0.8142000    
 H    4.850600       1.446300      3.1000001E-03
 H    3.943800      0.2328000      0.9382000    
 H    3.968500      0.1358000     -0.8177000    


%chk=000048482-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048482

0 1
O 1.656973 1.014108 -0.021930
O -0.698792 0.449182 2.445438
O -0.705383 0.295503 -2.422280
O 0.276949 -3.458889 0.131268
N -0.245408 -1.477164 1.252900
N -0.249885 -1.552174 -1.111801
C -0.725145 0.652044 0.002744
C -2.125965 1.349432 -0.017404
C 0.384948 1.736903 -0.033652
C -0.557550 -0.111603 1.328348
C -0.560803 -0.193447 -1.272389
C -3.315769 0.368286 0.011677
C -0.041475 -2.244841 0.093273
C 2.826807 1.910382 -0.061678
C 4.078193 1.034947 -0.050355
H -2.172676 1.967388 -0.932656
H -2.171813 2.021586 0.858853
H 0.288671 2.388744 0.859594
H 0.277078 2.338058 -0.960526
H -3.313414 -0.301898 -0.867410
H -3.311405 -0.252654 0.926200
H -4.267461 0.928027 -0.002498
H -0.104197 -1.971792 2.139744
H -0.111182 -2.101811 -1.966063
H 2.779972 2.533683 -0.981202
H 2.800695 2.587075 0.820092
H 4.986678 1.663262 -0.080491
H 4.109706 0.416539 0.863050
H 4.087652 0.362623 -0.925345


