%chk=000128518.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128518

0 1
 O   -2.169100      -1.263700      0.5271000    
 O   -6.164100       1.368200      0.4798000    
 O   -8.085500       2.614400      0.4479000    
 N    2.295600      0.4114000     -0.3432000    
 N    5.129300      0.2307000     -3.2000002E-02
 N    7.266900       1.202000     -0.2821000    
 N    7.034100      -1.121600      0.3125000    
 C    2.876800     -0.4781000      0.6696000    
 C    3.137500       1.603700     -0.5028000    
 C    4.282600     -0.9289000      0.2646000    
 C    4.551100       1.221900     -0.9479000    
 C   0.9334000      0.7916000      2.8999999E-02
 C   4.3200001E-02 -0.4440000      0.1136000    
 C    6.522100      9.9399999E-02  7.9999998E-04
 C   -1.388900     -7.7100001E-02  0.4785000    
 C   -3.501100      -1.140800      0.2280000    
 C    8.605700       1.039800     -0.2421000    
 C    8.380100      -1.212600      0.3343000    
 C   -4.160900      4.9300000E-02  0.5039000    
 C    9.224400     -0.1554000      6.3199997E-02
 C   -4.177400      -2.211900     -0.3498000    
 C   -5.514800      0.1506000      0.1909000    
 C   -6.214100     -0.9056000     -0.3873000    
 C   -5.535900      -2.095800     -0.6586000    
 C   -7.624900     -0.7311000     -0.6874000    
 C   -8.232600      0.4254000     -0.4111000    
 C   -7.513600       1.558400      0.2007000    
 H    2.310300      -1.404900      0.7876000    
 H    2.915100      1.7000001E-02   1.649300    
 H    3.188800       2.170900      0.4366000    
 H    2.707700       2.268100      -1.262300    
 H    4.236200      -1.584000     -0.6148000    
 H    4.693700      -1.514100       1.096400    
 H    4.532000      0.8093000      -1.964800    
 H    5.143000       2.144100     -0.9783000    
 H   0.9181000       1.332500      0.9843000    
 H   0.5217000       1.465700     -0.7326000    
 H   4.9800001E-02 -0.9927000     -0.8370000    
 H   0.3713000      -1.153000      0.8796000    
 H   -1.414400      0.4104000       1.460100    
 H   -1.759700      0.6196000     -0.2847000    
 H    8.774300      -2.191800      0.5842000    
 H    9.187000       1.926900     -0.4697000    
 H   -3.672800      0.8946000      0.9780000    
 H   -3.655800      -3.140800     -0.5637000    
 H    10.30100     -0.2568000      8.8100001E-02
 H   -6.050700      -2.940500      -1.109600    
 H   -8.173000      -1.551400      -1.137400    
 H   -9.285400      0.5633000     -0.6325000    


%chk=000128518-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128518

0 1
O -2.237113 -1.201279 -0.432787
O -6.175008 1.485841 0.553255
O -8.013343 2.802645 1.030403
N 2.470343 0.261451 -0.673363
N 5.327127 -0.012556 -0.526033
N 7.282074 1.256866 -0.143422
N 7.015569 -0.994768 0.802613
C 3.087950 -0.788368 0.179927
C 3.355178 1.455084 -0.750174
C 4.466582 -1.199301 -0.373844
C 4.733655 1.074836 -1.324603
C 1.096464 0.624171 -0.250738
C 0.078060 -0.512274 -0.489745
C 6.571132 0.085923 0.059308
C -1.352481 -0.029753 -0.244938
C -3.609135 -1.021003 -0.272843
C 8.509418 1.324102 0.433725
C 8.248946 -0.876702 1.358357
C -4.213457 0.208288 0.076341
C 9.059299 0.273632 1.206446
C -4.401577 -2.189095 -0.489146
C -5.616104 0.253502 0.206110
C -6.435675 -0.895581 -0.004404
C -5.790255 -2.118854 -0.355492
C -7.862863 -0.746910 0.150931
C -8.427175 0.464900 0.493440
C -7.623827 1.662166 0.718650
H 2.436145 -1.679304 0.190457
H 3.206540 -0.434865 1.236598
H 3.499321 1.927795 0.254949
H 2.881965 2.202629 -1.413787
H 4.327755 -1.674920 -1.365763
H 4.971161 -1.907683 0.300048
H 4.606118 0.728405 -2.370117
H 5.423115 1.932157 -1.308544
H 1.062844 0.936986 0.826725
H 0.793757 1.507026 -0.848613
H 0.178799 -0.870733 -1.529719
H 0.272589 -1.370335 0.179057
H -1.477116 0.360663 0.786502
H -1.640881 0.763057 -0.965368
H 8.590035 -1.738433 1.944431
H 9.062538 2.255971 0.266263
H -3.644669 1.124149 0.250325
H -3.894059 -3.119207 -0.758161
H 10.049606 0.347053 1.660480
H -6.401075 -3.013440 -0.521815
H -8.504297 -1.621791 -0.009023
H -9.505877 0.590456 0.614001


