%chk=000056487.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056487

0 1
 O    1.302800      -1.101500      -2.022800    
 O    2.756100       2.635600      0.2234000    
 N    2.008400      0.7409000     -0.8517000    
 N   -3.634800      0.8223000     -0.1926000    
 C   0.3581000     -0.7956000      0.1975000    
 C    1.059700     -0.3120000       1.486700    
 C   0.2612000      -2.338400      0.2431000    
 C    1.305100       1.188800       1.455500    
 C   -1.062500     -0.2202000      5.8499999E-02
 C    1.266500     -0.4319000     -0.9885000    
 C    2.102900       1.592700      0.2424000    
 C    1.628100      -2.967600      0.4127000    
 C   -1.394700      0.5350000      -1.055500    
 C   -2.003100     -0.4595000       1.048300    
 C   -2.686300       1.030700      -1.133300    
 C   -3.267400      8.0700003E-02  0.8763000    
 H    2.045400     -0.7769000       1.604600    
 H   0.4838000     -0.5684000       2.383600    
 H  -0.1960000      -2.718700     -0.6802000    
 H  -0.3784000      -2.683300       1.064500    
 H    1.868400       1.482500       2.348500    
 H   0.3663000       1.752200       1.454300    
 H    2.563800       1.003900      -1.661400    
 H    2.393900      -2.587700     -0.2673000    
 H    1.995800      -2.877600       1.439600    
 H    1.547700      -4.044500      0.2216000    
 H  -0.7097000      0.7584000      -1.863200    
 H   -1.784200      -1.041300       1.936000    
 H   -3.002300       1.628000      -1.982200    
 H   -4.042900     -7.3399998E-02   1.619400    


%chk=000056487-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056487

0 1
O 1.378210 -0.734549 -2.075157
O 2.832100 2.734719 0.604950
N 2.060062 0.947232 -0.651475
N -3.712894 0.727748 -0.277369
C 0.427417 -0.764621 0.217258
C 1.083069 -0.381982 1.573366
C 0.293214 -2.321295 0.061844
C 1.316200 1.136289 1.708572
C -1.001296 -0.177343 0.052325
C 1.311510 -0.216157 -0.927761
C 2.130972 1.692514 0.551225
C 1.604108 -3.126015 0.186051
C -1.572814 0.007663 -1.233661
C -1.834462 0.098001 1.166585
C -2.906699 0.456496 -1.347409
C -3.160573 0.540147 0.956866
H 2.054696 -0.901446 1.654791
H 0.465631 -0.751507 2.411008
H -0.153866 -2.518591 -0.928982
H -0.437462 -2.664721 0.820211
H 1.851131 1.389431 2.639364
H 0.353819 1.683449 1.733261
H 2.616447 1.311810 -1.435963
H 2.347658 -2.795334 -0.560426
H 2.056201 -3.054566 1.191583
H 1.399829 -4.195101 -0.003764
H -0.994383 -0.199960 -2.139565
H -1.481878 -0.031347 2.194389
H -3.359403 0.606823 -2.333889
H -3.814845 0.755411 1.809570


