%chk=000059193.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059193

0 1
 O   0.5138000      0.4258000      0.1705000    
 O    1.416000      -1.273200       1.434800    
 N    5.161300      0.5368000      0.6433000    
 C  -0.8102000      1.6100001E-02  0.5550000    
 C   -1.835800       1.026800      5.0799999E-02
 C   -1.086800      -1.386400      0.1296000    
 C   -2.535000       1.801300      0.9519000    
 C   -2.026400       1.127200      -1.311800    
 C   -3.467900       2.719000      0.4688000    
 C   -1.958900      -2.181600      0.8733000    
 C  -0.4741000      -1.902900      -1.012100    
 C   -2.325800       1.688300       2.426400    
 C   -2.959300       2.044900      -1.794800    
 C   -3.680000       2.840700     -0.9045000    
 C   -2.218000      -3.493200      0.4755000    
 C  -0.7333000      -3.214500      -1.410000    
 C    1.524300     -0.3128000      0.6883000    
 C   -1.605300      -4.009600     -0.6661000    
 C    2.832200      0.2104000      0.2189000    
 C    2.924500      0.8198000      -1.009200    
 C    3.941800      8.3400004E-02   1.010700    
 C    4.162700       1.299200      -1.422300    
 C    5.240100       1.134600     -0.5668000    
 H  -0.7939000      9.4999997E-03   1.649600    
 H   -1.465800      0.5329000      -2.024900    
 H   -4.038400       3.346900       1.148100    
 H   -2.444200      -1.792200       1.764300    
 H   0.1967000      -1.305900      -1.623800    
 H   -2.952300       2.401500       2.974500    
 H   -2.598500      0.6904000       2.784800    
 H   -1.288200       1.915200       2.693000    
 H   -3.121600       2.142900      -2.864200    
 H   -4.405700       3.555800      -1.280700    
 H   -2.897300      -4.112100       1.054200    
 H  -0.2593000      -3.615700      -2.301000    
 H   -1.807900      -5.030400     -0.9765000    
 H    2.072800      0.9296000      -1.673500    
 H    3.909500     -0.3884000       1.986900    
 H    4.281400       1.783800      -2.384600    
 H    6.227500       1.490000     -0.8426000    


%chk=000059193-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059193

0 1
O 0.339432 0.220209 0.169617
O 1.136385 -0.662524 2.185976
N 5.078545 0.547516 1.102088
C -1.056480 -0.276133 0.513609
C -2.019844 0.805655 0.036105
C -1.232485 -1.665032 -0.079029
C -2.050477 2.069076 0.709396
C -2.902894 0.569584 -1.045506
C -2.966524 3.051797 0.259635
C -1.904630 -2.662007 0.668226
C -0.744493 -1.981966 -1.371783
C -1.125311 2.391181 1.870786
C -3.808370 1.561561 -1.480312
C -3.838802 2.811363 -0.825601
C -2.101171 -3.952978 0.128544
C -0.931543 -3.274341 -1.908973
C 1.344956 -0.076983 1.095116
C -1.615402 -4.262749 -1.162577
C 2.678339 0.402053 0.625145
C 2.857663 1.092319 -0.600587
C 3.817083 0.155099 1.437971
C 4.157755 1.504689 -0.959353
C 5.230797 1.212919 -0.083970
H -1.086190 -0.355110 1.617232
H -2.891031 -0.405024 -1.543086
H -2.996730 4.020324 0.773381
H -2.266610 -2.432070 1.677561
H -0.205371 -1.218597 -1.943077
H -1.445686 3.314122 2.382735
H -1.092378 1.581713 2.623491
H -0.086742 2.541620 1.521796
H -4.484528 1.356980 -2.317500
H -4.538947 3.589897 -1.148908
H -2.620439 -4.716777 0.717832
H -0.544334 -3.511223 -2.906309
H -1.760330 -5.265771 -1.579205
H 1.993863 1.293411 -1.239891
H 3.700314 -0.378207 2.387320
H 4.342515 2.040993 -1.895045
H 6.254793 1.517309 -0.329052


