%chk=000005081.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005081

0 1
 O   -1.656900      -2.674100      -1.306500    
 O    4.814200      0.7197000      9.7800002E-02
 O    3.841000      -1.108100       1.081500    
 N   0.3253000      0.8329000     -0.3461000    
 N   0.1481000      -2.147900      4.4799998E-02
 N    2.372200       1.696300     -0.6308000    
 N   -5.286000      0.5282000     -0.2696000    
 N   -5.737600      0.5387000      0.8963000    
 N   -6.156300      0.5477000       1.958100    
 C    1.214400     -4.1700002E-02  0.2414000    
 C   0.7814000      -1.240900      0.9856000    
 C   -1.085300      0.7026000     -0.3760000    
 C   -1.732700     -0.5504000     -0.3570000    
 C    2.461000      0.5027000      2.7899999E-02
 C   -1.074700      -1.875700     -0.5694000    
 C    1.084400       1.881200     -0.8190000    
 C   -1.854700       1.879700     -0.4010000    
 C   -3.139200     -0.5863000     -0.3186000    
 C   0.8371000      -3.405600     -0.2164000    
 C   -3.889400      0.5889000     -0.3113000    
 C   -3.247900       1.819800     -0.3633000    
 C    3.716400     -4.2300001E-02  0.4500000    
 C    6.102700      0.2323000      0.4893000    
 C    7.162600       1.202400      1.2600000E-02
 H    1.593400      -1.755300       1.503400    
 H   4.6200000E-02 -0.9658000       1.751900    
 H   0.6578000       2.739200      -1.321200    
 H   -1.395900       2.865000     -0.4079000    
 H   -3.664400      -1.540300     -0.3092000    
 H   0.8957000      -3.973400      0.7167000    
 H    1.846000      -3.186600     -0.5783000    
 H   0.3142000      -4.005700     -0.9652000    
 H   -3.821500       2.743200     -0.3661000    
 H    6.142000      0.1458000       1.580600    
 H    6.270600     -0.7523000      3.9400000E-02
 H    8.161900      0.8600000      0.2955000    
 H    7.121600       1.313400      -1.076000    
 H    6.995000       2.196600      0.4398000    


%chk=000005081-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000005081

0 1
O -1.770920 -2.646483 -1.053927
O 4.921974 0.691331 -0.019176
O 3.900144 -1.094275 1.079510
N 0.353070 0.949093 -0.277394
N 0.088494 -2.062383 0.221792
N 2.416851 1.731291 -0.823938
N -5.322703 0.874539 0.065325
N -6.034309 -0.174592 0.074532
N -6.869573 -1.014816 0.097349
C 1.272335 0.083917 0.328239
C 0.781209 -1.094844 1.109617
C -1.072484 0.852464 -0.169472
C -1.750521 -0.404370 -0.165496
C 2.541157 0.581173 -0.014476
C -1.131483 -1.781173 -0.371531
C 1.101185 1.928566 -0.961474
C -1.815601 2.059403 -0.089719
C -3.164865 -0.405905 -0.098310
C 0.746440 -3.359574 -0.029300
C -3.897272 0.799831 -0.015224
C -3.214363 2.042648 -0.013389
C 3.816871 -0.026808 0.404093
C 6.251759 0.122725 0.362968
C 7.305101 1.071091 -0.198820
H 1.648644 -1.593994 1.565888
H 0.094726 -0.770757 1.916474
H 0.638184 2.707403 -1.561628
H -1.283611 3.015284 -0.065221
H -3.668632 -1.377060 -0.154758
H 0.795130 -3.958788 0.898838
H 1.773557 -3.197585 -0.402143
H 0.154576 -3.906112 -0.778627
H -3.789846 2.969792 0.055415
H 6.292825 0.043019 1.464591
H 6.327962 -0.896489 -0.057961
H 8.315299 0.697600 0.049950
H 7.220190 1.146467 -1.296072
H 7.191199 2.082270 0.227175


