%chk=000071646.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071646

0 1
 O    1.068800       1.473400      -1.720900    
 O    4.802100       1.501800       1.121300    
 N   0.6885000      -1.357600     -0.8325000    
 N    3.548100     -0.4527000      0.9768000    
 N    2.943000       1.511800     -0.3040000    
 N    2.042300      -2.366900      0.6230000    
 N   -5.059300      0.7239000      0.9296000    
 C    1.636600     -0.4365000     -0.4904000    
 C  -0.4140000      -1.185500      -1.748000    
 C    2.451800      -1.079700      0.4004000    
 C    1.811600      0.9132000     -0.9194000    
 C   -1.642200     -0.6806000      -1.040000    
 C   0.9750000      -2.503500     -0.1366000    
 C    3.839800      0.8929000      0.6400000    
 C   -1.851300      0.6867000     -0.9245000    
 C   -2.549300      -1.589200     -0.5118000    
 C    4.387400      -1.179600       1.921200    
 C   -3.907800      0.2508000      0.2665000    
 C    3.227200       2.896800     -0.6647000    
 C   -2.989700       1.154700     -0.2681000    
 C   -3.687600      -1.121000      0.1446000    
 C   -5.033500       1.992200       1.630600    
 C   -6.287300     -4.5499999E-02  0.9068000    
 H  -0.6135000      -2.156600      -2.218700    
 H  -0.1109000     -0.5197000      -2.562300    
 H   0.3760000      -3.400100     -0.2223000    
 H   -1.184000       1.414400      -1.363300    
 H   -2.386400      -2.659700     -0.5986000    
 H    5.208100     -0.5589000       2.289400    
 H    4.806300      -2.058500       1.421400    
 H    3.774800      -1.495400       2.771300    
 H    2.508800       3.305500      -1.378700    
 H    4.232400       2.945800      -1.095500    
 H    3.216400       3.504200      0.2461000    
 H   -3.142200       2.228700     -0.2084000    
 H   -4.376600      -1.851100      0.5598000    
 H   -5.144900       2.825700      0.9292000    
 H   -4.103000       2.120000       2.195400    
 H   -5.852700       2.059400       2.355300    
 H   -6.248100     -0.8606000       1.636900    
 H   -6.480500     -0.4633000     -8.7800004E-02
 H   -7.150800      0.5805000       1.158500    


%chk=000071646-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000071646

0 1
O 1.265703 1.617839 -1.780500
O 4.929175 1.432692 1.181897
N 0.717443 -1.347323 -0.912889
N 3.609978 -0.499128 0.989827
N 3.097196 1.489374 -0.281471
N 2.074032 -2.400655 0.603564
N -5.189648 0.707987 0.957641
C 1.699067 -0.418417 -0.529811
C -0.438786 -1.101320 -1.830425
C 2.510820 -1.100151 0.395095
C 1.944426 0.938991 -0.943587
C -1.692345 -0.628672 -1.113259
C 0.983582 -2.504733 -0.205706
C 3.940329 0.836290 0.666901
C -1.905926 0.749696 -0.856097
C -2.678290 -1.546472 -0.674825
C 4.436262 -1.245492 1.958362
C -4.047931 0.270639 0.278685
C 3.474878 2.885352 -0.601454
C -3.052673 1.196031 -0.176398
C -3.832838 -1.119459 0.006437
C -5.386230 2.138818 1.220097
C -6.193756 -0.262764 1.407895
H -0.623974 -2.052223 -2.361478
H -0.097723 -0.347493 -2.558284
H 0.372790 -3.399559 -0.296898
H -1.159166 1.477023 -1.197565
H -2.548763 -2.619339 -0.872417
H 5.244436 -0.577754 2.289985
H 4.855094 -2.147068 1.481017
H 3.820711 -1.557600 2.818554
H 2.743358 3.263149 -1.330351
H 4.492761 2.914499 -1.023390
H 3.464001 3.498358 0.314445
H -3.177198 2.268569 -0.003926
H -4.568748 -1.864586 0.320705
H -5.444766 2.727729 0.281685
H -4.566132 2.561525 1.835794
H -6.329870 2.284327 1.769173
H -5.764889 -1.001860 2.115580
H -6.637824 -0.822852 0.559162
H -7.009165 0.266234 1.925830


