%chk=000178060.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178060

0 1
 O  -0.9604000     -0.1289000      -1.046200    
 O   -4.532200     -0.3628000     -0.9031000    
 O    1.267400      0.7440000       1.608400    
 O   -4.898500      -2.641800      -2.278200    
 N   -2.458100      0.1046000      0.7027000    
 N   0.5015000       1.922100     -0.2260000    
 N    2.799600       1.624600      0.1295000    
 C  -0.9013000       1.908000      0.1703000    
 C   -2.974800      -1.257200      0.6624000    
 C   -1.561700       2.967100     -0.7038000    
 C   -3.718300      -1.428600       1.982100    
 C   -3.043800      0.8578000       1.808800    
 C   -4.184700     -1.3000000E-02   2.313100    
 C   -1.429900      0.5357000     -0.1209000    
 C  -0.7139000       2.959200      -1.972900    
 C   0.6913000       2.690300      -1.455800    
 C   -3.900700      -1.343900     -0.5134000    
 C    1.506200       1.383800      0.5802000    
 C   -4.009400      -2.697300      -1.182800    
 C    3.963100       1.140700      0.8360000    
 C    4.376300     -0.2250000      0.3690000    
 C    3.852500      -1.361200      0.9860000    
 C    5.283500     -0.3579000     -0.6823000    
 C    4.236200      -2.630100      0.5521000    
 C    5.667000      -1.627000      -1.116200    
 C    5.143300      -2.763000     -0.4989000    
 H  -0.9594000       2.154800       1.232800    
 H   -2.148700      -1.964400      0.5381000    
 H   -1.481900       3.949100     -0.2216000    
 H   -2.618100       2.772500     -0.9123000    
 H   -4.550900      -2.136600       1.931100    
 H   -3.022300      -1.770600       2.757800    
 H   -2.278200      0.9753000       2.583500    
 H   -3.378300       1.844500       1.476900    
 H   -4.383100      0.1309000       3.378800    
 H   -5.105700      0.2158000       1.764000    
 H   -1.035800       2.145100      -2.632900    
 H  -0.7817000       3.894600      -2.535400    
 H    1.205400       3.622100      -1.196000    
 H    1.300600       2.129700      -2.170600    
 H   -3.021800      -2.995500      -1.545700    
 H   -4.383700      -3.425200     -0.4578000    
 H    2.952900       2.143400     -0.7278000    
 H    4.770800       1.862700      0.6698000    
 H    3.764900       1.132600       1.914500    
 H   -4.929300      -3.531600      -2.669000    
 H    3.148600      -1.274300       1.808900    
 H    5.697100      0.5194000      -1.172600    
 H    3.829300      -3.514700       1.033200    
 H    6.373000      -1.730700      -1.935000    
 H    5.442000      -3.751000     -0.8368000    


%chk=000178060-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178060

0 1
O -1.938556 0.032835 -1.523991
O -5.268326 -0.347336 0.057689
O 0.669658 1.011801 1.606218
O -5.938955 -2.263929 -1.731385
N -2.448143 0.110221 0.724227
N 0.289093 1.875585 -0.528070
N 2.479309 1.326522 0.152222
C -1.167206 2.017554 -0.282725
C -3.048345 -1.241742 0.629883
C -1.606962 2.986540 -1.412790
C -3.251755 -1.650160 2.120183
C -2.493330 0.667754 2.107737
C -3.451254 -0.295848 2.846616
C -1.877891 0.648817 -0.402154
C -0.637419 2.665691 -2.580556
C 0.702334 2.333801 -1.875371
C -4.372248 -1.213340 -0.146750
C 1.121653 1.384157 0.468160
C -4.596829 -2.298531 -1.192734
C 3.467239 0.823476 1.115363
C 4.325411 -0.309970 0.559642
C 3.736603 -1.379922 -0.162292
C 5.724216 -0.324016 0.783512
C 4.530900 -2.442795 -0.645094
C 6.521879 -1.388771 0.304198
C 5.927159 -2.451884 -0.412645
H -1.321595 2.443355 0.721480
H -2.353693 -1.919432 0.100881
H -1.474506 4.028299 -1.066601
H -2.662180 2.842690 -1.695626
H -4.101473 -2.339755 2.260847
H -2.335861 -2.154069 2.477591
H -1.470881 0.675549 2.527035
H -2.888021 1.698751 2.102993
H -3.222310 -0.358078 3.923602
H -4.494846 0.041963 2.725187
H -1.003517 1.776414 -3.117030
H -0.533454 3.504123 -3.289713
H 1.353283 3.230945 -1.799215
H 1.254061 1.542240 -2.419613
H -3.838122 -2.132509 -1.988317
H -4.406416 -3.296612 -0.747003
H 2.809846 1.627817 -0.764163
H 4.121747 1.646489 1.466865
H 2.877814 0.482178 1.987636
H -6.358976 -1.420000 -1.400089
H 2.655035 -1.373348 -0.341953
H 6.192025 0.501624 1.335040
H 4.063617 -3.264682 -1.199565
H 7.602822 -1.385803 0.484817
H 6.543269 -3.276556 -0.788179


