%chk=000056695.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056695

0 1
 O    1.806300       1.952200      0.7675000    
 O    1.881600      -2.047100     -0.9937000    
 O  -0.8061000      -2.198700      -1.502800    
 N   0.2158000     -0.9309000      0.2020000    
 N    3.260300      -2.220500      -1.002200    
 N   -5.979900      0.3409000       1.078900    
 C    2.760000      4.0300000E-02   1.885100    
 C    2.663800     -0.8598000      0.6864000    
 C    2.934500       1.509000       1.509600    
 C   0.6929000       3.727400     -0.3913000    
 C    1.929100       3.318500      0.3972000    
 C    1.539600      -1.224200      3.0400001E-02
 C    3.706700      -1.491200      2.4400000E-02
 C   0.5208000       2.879900      -1.648600    
 C    5.150000      -1.446800      0.3137000    
 C  -0.7380000       3.262500      -2.410400    
 C  -0.8619000      -1.422100     -0.5558000    
 C   -2.208000     -0.9579000     -0.1271000    
 C   -3.300800      -1.757500     -0.3870000    
 C   -2.318600      0.2562000      0.5172000    
 C   -4.563400      -1.322500      1.6100001E-02
 C   -3.581200      0.6910000      0.9204000    
 C   -4.703500     -9.8300003E-02  0.6698000    
 H    3.599000     -0.2754000       2.516400    
 H    1.850900     -7.4400000E-02   2.488800    
 H    3.842900       1.642000      0.9098000    
 H    3.027700       2.106700       2.423800    
 H   0.7633000       4.788100     -0.6576000    
 H  -0.1935000       3.602400      0.2429000    
 H    2.829100       3.459600     -0.2124000    
 H    2.011100       3.939200       1.296700    
 H   0.4606000       1.816300      -1.391900    
 H    1.391100       3.005300      -2.303200    
 H   2.8100001E-02 -0.3336000       1.001300    
 H    5.507500     -0.4123000      0.3382000    
 H    5.734500      -1.982100     -0.4421000    
 H    5.360200      -1.905000       1.285600    
 H   -1.630400       3.111000      -1.794400    
 H  -0.7065000       4.312400      -2.718600    
 H  -0.8385000       2.647000      -3.309800    
 H   -3.209600      -2.716100     -0.8889000    
 H   -1.479800      0.9208000      0.6951000    
 H   -5.430300      -1.947400     -0.1833000    
 H   -3.678900       1.651000       1.420800    
 H   -6.794400     -0.2298000      0.8954000    
 H   -6.082200       1.229600       1.550700    


%chk=000056695-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056695

0 1
O 1.441638 1.714493 0.946758
O 2.198300 -2.147222 -1.162727
O -0.653738 -2.504138 -1.095320
N 0.534083 -0.781618 -0.030151
N 3.656838 -2.387231 -1.039110
N -5.664861 1.038849 0.952672
C 2.957564 -0.004436 1.824247
C 2.945769 -0.902620 0.611889
C 2.785331 1.494361 1.515283
C -0.043544 3.243539 -0.284926
C 1.211228 3.132341 0.587240
C 1.832822 -1.261059 -0.150446
C 4.040151 -1.623550 0.015545
C 0.120563 2.642431 -1.700067
C 5.484394 -1.639842 0.437254
C -1.187847 2.696675 -2.517063
C -0.656204 -1.421096 -0.441620
C -1.920330 -0.719615 -0.051011
C -3.112690 -1.097096 -0.726973
C -2.016193 0.250982 0.983537
C -4.348274 -0.517598 -0.408023
C -3.250760 0.832165 1.321929
C -4.440628 0.463223 0.626129
H 3.917184 -0.123574 2.361562
H 2.160453 -0.303753 2.533831
H 3.548079 1.832455 0.781948
H 2.891986 2.094190 2.445626
H -0.301862 4.319294 -0.369372
H -0.893477 2.758314 0.232866
H 2.099957 3.510955 0.035890
H 1.104790 3.719163 1.525087
H 0.460938 1.593069 -1.618976
H 0.921995 3.190947 -2.236295
H 0.510296 0.165487 0.388548
H 5.925532 -0.626842 0.400327
H 6.063328 -2.295236 -0.233617
H 5.594449 -2.019652 1.469844
H -1.984547 2.111900 -2.020388
H -1.548742 3.737095 -2.629842
H -1.043805 2.276463 -3.528747
H -3.036784 -1.864949 -1.504131
H -1.131346 0.543545 1.561758
H -5.252789 -0.820802 -0.949226
H -3.304811 1.565703 2.135810
H -6.514990 0.761836 0.470169
H -5.737544 1.728154 1.695386


