%chk=000051505.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051505

0 1
 O   -1.427000     -0.4881000     -0.9024000    
 O   -1.713200       1.795400     -0.8501000    
 N    2.230500     -3.0600000E-02 -0.5591000    
 N   -7.367100     -0.5222000       1.171700    
 C    3.090300      9.7800002E-02  0.6230000    
 C    4.362800      0.8551000      0.1842000    
 C    3.411000      -1.281700       1.235700    
 C    4.232300       2.388500      6.8599999E-02
 C    4.561400      -2.067800      0.5694000    
 C   0.8462000     -0.2267000     -0.1644000    
 C    3.839000       2.975800       1.427800    
 C    5.518300       3.051100     -0.4261000    
 C    4.288200      -2.361800     -0.9061000    
 C    4.791200      -3.381600       1.323200    
 C  -8.9500003E-02 -0.3220000      -1.372000    
 C   0.2287000      -1.500500      -2.283400    
 C   -2.124500      0.6577000     -0.6832000    
 C   -3.493500      0.3497000     -0.1981000    
 C   -4.380800       1.386400      9.1200002E-02
 C   -3.892600     -0.9765000     -3.2099999E-02
 C   -5.667000       1.097100      0.5465000    
 C   -5.178800      -1.266000      0.4232000    
 C   -6.066100     -0.2292000      0.7125000    
 H    2.571800      0.6718000       1.396700    
 H    4.742500      0.4758000     -0.7711000    
 H    5.155100      0.6633000      0.9208000    
 H    2.516600      -1.912400       1.293100    
 H    3.701800      -1.105700       2.281300    
 H    3.441600       2.631200     -0.6511000    
 H    5.495900      -1.500300      0.6404000    
 H    2.289100      0.8102000      -1.132000    
 H   0.7191000      -1.134000      0.4371000    
 H   0.5109000      0.6046000      0.4695000    
 H    4.508500       2.633000       2.224000    
 H    3.887900       4.070400       1.401700    
 H    2.811700       2.721400       1.702700    
 H    6.348200       2.870900      0.2656000    
 H    5.388000       4.133700     -0.5269000    
 H    5.803000       2.655600      -1.406700    
 H    3.327000      -2.872000      -1.034200    
 H    5.065200      -3.018400      -1.314200    
 H    4.283200      -1.466100      -1.528800    
 H    3.905700      -4.024900       1.280700    
 H    5.022400      -3.190600       2.376500    
 H    5.632600      -3.935500      0.8933000    
 H  -7.4999998E-03  0.5876000      -1.982100    
 H   0.1689000      -2.446400      -1.733500    
 H    1.224800      -1.416700      -2.727800    
 H  -0.5057000      -1.563000      -3.094100    
 H   -4.089200       2.426100     -3.1599998E-02
 H   -3.235200      -1.814700     -0.2452000    
 H   -6.349400       1.913700      0.7683000    
 H   -5.478500      -2.303400      0.5485000    
 H   -7.656200      -1.483600       1.294200    
 H   -8.010200      0.2291000       1.383400    


%chk=000051505-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051505

0 1
O -1.449153 -0.666414 -0.860005
O -1.586437 1.669244 -0.800802
N 2.236280 -0.014602 -0.414279
N -7.576012 -0.159247 0.982044
C 3.213757 0.053467 0.713934
C 4.401269 0.963634 0.310975
C 3.688883 -1.353749 1.186039
C 4.093061 2.484716 0.207541
C 4.716692 -2.124973 0.311729
C 0.857070 -0.384897 -0.025915
C 3.733533 3.105594 1.578936
C 5.298541 3.224803 -0.420397
C 4.129583 -2.595824 -1.040217
C 5.271097 -3.333339 1.106533
C -0.017100 -0.557763 -1.288273
C 0.288897 -1.822895 -2.086728
C -2.132429 0.543176 -0.640347
C -3.533903 0.322285 -0.221287
C -4.351328 1.454799 0.044978
C -4.095696 -0.975848 -0.076409
C -5.686611 1.303317 0.443000
C -5.431163 -1.139412 0.320449
C -6.251831 -0.000957 0.587826
H 2.718310 0.515259 1.606609
H 4.795220 0.610165 -0.663389
H 5.216288 0.827960 1.051406
H 2.801684 -2.003419 1.337450
H 4.136463 -1.211119 2.192656
H 3.222318 2.632355 -0.468890
H 5.569892 -1.447587 0.099105
H 2.225195 0.879985 -0.926900
H 0.881718 -1.342683 0.525568
H 0.378956 0.372049 0.639541
H 4.571334 2.979195 2.292455
H 3.534474 4.188868 1.479985
H 2.835208 2.641448 2.024295
H 6.198788 3.111066 0.214601
H 5.094310 4.306596 -0.524715
H 5.539630 2.823879 -1.422733
H 3.307045 -3.319167 -0.871356
H 4.903330 -3.099699 -1.650989
H 3.709680 -1.746714 -1.604370
H 4.454088 -4.030360 1.378447
H 5.766582 -3.012217 2.042573
H 6.008096 -3.899479 0.506267
H 0.071218 0.352148 -1.914231
H 0.058660 -2.722790 -1.488492
H 1.362546 -1.836420 -2.339564
H -0.304456 -1.859389 -3.016337
H -3.911262 2.451181 -0.069778
H -3.469871 -1.848879 -0.281818
H -6.304330 2.186765 0.645195
H -5.852656 -2.146436 0.427252
H -7.982568 -1.084585 1.086359
H -8.163492 0.647510 1.172973


