%chk=000115520.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115520

0 1
 O   3.5000001E-03 -0.6608000       2.249200    
 O   0.7407000      -1.213800      -2.439400    
 O    4.208900     -0.4970000      0.4565000    
 N    2.081400     -0.5429000       1.317300    
 N    2.443700     -0.7779000     -0.9836000    
 C   0.1188000     -0.5498000     -0.1843000    
 C  -0.4473000      0.8724000     -0.4704000    
 C   -1.181300      -1.392800     -0.3422000    
 C   -2.298300     -0.5528000      0.3096000    
 C   -1.826900      0.9064000      0.2064000    
 C   0.4279000       2.051100     -5.6699999E-02
 C   -3.658100     -0.7703000     -0.3451000    
 C   -1.095800      -2.818400      0.1972000    
 C   0.7004000     -0.6155000       1.235200    
 C    1.103100     -0.8996000      -1.304800    
 C  -0.2375000       3.382200     -0.3936000    
 C   -4.723400      0.1110000      0.2802000    
 C    2.993500     -0.5881000      0.2745000    
 C   0.6468000       4.556600     -5.9000002E-03
 H  -0.6189000      0.9612000      -1.554500    
 H   -1.417800      -1.485400      -1.412000    
 H   -2.388600     -0.8138000       1.372100    
 H   -2.499200       1.538700     -0.3813000    
 H   -1.768700       1.336800       1.213600    
 H    1.394800       1.989700     -0.5696000    
 H   0.6333000       2.024800       1.019800    
 H   -3.954800      -1.819900     -0.2363000    
 H   -3.608300     -0.5627000      -1.420800    
 H   -2.006900      -3.374800     -4.6500001E-02
 H  -0.2512000      -3.352500     -0.2498000    
 H  -0.9791000      -2.846500       1.284300    
 H   -1.191700       3.488200      0.1334000    
 H  -0.4507000       3.433600      -1.467600    
 H   -4.761200     -2.3900000E-02   1.366200    
 H   -4.571800       1.172800      6.9600001E-02
 H   -5.706600     -0.1572000     -0.1213000    
 H    2.473200     -0.4884000       2.253400    
 H    3.103000     -0.9033000      -1.746700    
 H   0.8509000       4.556400       1.069600    
 H    1.603100       4.520100     -0.5375000    
 H   0.1547000       5.501200     -0.2579000    


%chk=000115520-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115520

0 1
O -0.001356 -0.250279 2.256445
O 0.823742 -0.711934 -2.528241
O 4.170588 -1.424413 0.607955
N 2.044593 -0.823899 1.376416
N 2.450558 -1.055367 -0.932869
C 0.129843 -0.395055 -0.198535
C -0.497148 1.037866 -0.469473
C -1.149844 -1.315840 -0.353217
C -2.314038 -0.512268 0.304391
C -1.899704 0.991237 0.202975
C 0.392636 2.228092 -0.053301
C -3.680190 -0.839249 -0.346313
C -0.982075 -2.752711 0.172958
C 0.685741 -0.476856 1.224121
C 1.134114 -0.726172 -1.306918
C -0.184661 3.590687 -0.504005
C -4.876413 -0.227205 0.414696
C 2.975228 -1.122709 0.368485
C 0.722217 4.776704 -0.112452
H -0.630317 1.065773 -1.570389
H -1.325975 -1.351670 -1.448320
H -2.361082 -0.788382 1.375214
H -2.627840 1.575454 -0.390356
H -1.850548 1.443240 1.209238
H 1.406881 2.114802 -0.492667
H 0.514987 2.234881 1.049077
H -3.811569 -1.939693 -0.396028
H -3.678026 -0.476852 -1.395470
H -1.910700 -3.327947 0.007273
H -0.167866 -3.291838 -0.347076
H -0.775370 -2.763312 1.258877
H -1.188342 3.730961 -0.056729
H -0.328982 3.579249 -1.603642
H -4.921179 -0.609213 1.451963
H -4.797969 0.874555 0.468191
H -5.834617 -0.472634 -0.078773
H 2.400915 -0.867096 2.337224
H 3.106634 -1.271631 -1.690555
H 0.860927 4.824771 0.984043
H 1.723488 4.681312 -0.573335
H 0.290317 5.739740 -0.440576


