%chk=000011213.chk
%nprocshared=24
%mem=100GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000011213

0 1
 O    1.371800      -2.812000     -0.2711000    
 O   -2.028900       1.704600     -0.2452000    
 O   -3.476600      0.1330000      0.6151000    
 N    1.926000     -0.1483000      0.5745000    
 C  -0.3592000      -1.000900     -0.1544000    
 C   0.5080000      0.2411000      0.3249000    
 C  -0.6160000      -1.332000       1.354400    
 C   0.3977000      -2.028200     -0.9821000    
 C  -0.1954000      0.1030000       1.729100    
 C   0.4139000       1.482000     -0.5767000    
 C   -1.663700     -0.5283000     -0.8842000    
 C    1.872600      -1.860000      -1.214700    
 C  -0.9746000       1.655500      -1.209500    
 C   -1.303900      0.4117000      -2.021300    
 C    2.596600     -0.6933000     -0.6141000    
 C   0.9765000       2.664300      0.1989000    
 C    2.656800      0.9917000       1.169900    
 C   -2.027400      -1.772700       1.810100    
 C   -2.528500      0.4305000     -9.3500003E-02
 C    2.454200       2.358300      0.4900000    
 H   0.1045000      -2.063600       1.749600    
 H  -0.2194000      -2.545300      -1.702700    
 H   -1.014900      0.8062000       1.904800    
 H   0.4257000      0.1500000       2.630400    
 H    1.069600       1.350500      -1.448700    
 H   -2.263800      -1.369500      -1.245100    
 H    2.313700      -2.230800      -2.128600    
 H   -1.013400       2.554600      -1.833200    
 H  -0.4834000      6.8099998E-02  -2.657800    
 H   -2.181600      0.5941000      -2.654600    
 H    3.593900      -1.046200     -0.3243000    
 H    2.751200      6.5200001E-02  -1.388500    
 H   0.4309000       2.824200       1.135700    
 H   0.9020000       3.585900     -0.3888000    
 H    3.729700      0.7655000       1.215100    
 H    2.352200       1.091300       2.218600    
 H   -2.626800      -2.183600      0.9943000    
 H   -1.915300      -2.590700       2.533400    
 H   -2.553600     -0.9875000       2.357300    
 H    3.018500       2.379600     -0.4508000    
 H    2.871800       3.148200       1.124700    


%chk=000011213-Freq.chk
%nprocshared=24
%mem=100GB
#p freq=noraman PBEPBE/SDD

000011213

0 1
O 1.244064 -2.942874 -0.313046
O -2.088749 1.846702 -0.327351
O -3.610219 0.339697 0.559050
N 1.886521 -0.125076 0.526811
C -0.426122 -0.971046 -0.138835
C 0.461387 0.260225 0.324171
C -0.614241 -1.324227 1.390469
C 0.286094 -2.001559 -1.010175
C -0.262055 0.168851 1.728303
C 0.413594 1.544769 -0.560346
C -1.703980 -0.462004 -0.901772
C 1.765384 -1.879638 -1.247516
C -0.927160 1.743208 -1.283683
C -1.272171 0.457482 -2.081099
C 2.557316 -0.732305 -0.636972
C 1.016381 2.719250 0.241017
C 2.647408 0.964639 1.197243
C -1.872345 -2.012786 1.928155
C -2.586282 0.536585 -0.113571
C 2.502889 2.371972 0.536289
H 0.269433 -1.932701 1.652139
H -0.322923 -2.511139 -1.771715
H -1.143143 0.823925 1.816669
H 0.375910 0.319011 2.613107
H 1.117589 1.361783 -1.405648
H -2.328608 -1.321648 -1.197411
H 2.191153 -2.285364 -2.176351
H -0.952672 2.676700 -1.869781
H -0.413379 0.071251 -2.654207
H -2.113104 0.640778 -2.772485
H 3.540894 -1.115232 -0.301963
H 2.767245 -0.015931 -1.477034
H 0.453537 2.868695 1.182503
H 0.951306 3.666680 -0.329466
H 3.712353 0.667900 1.235041
H 2.298640 1.034639 2.245174
H -1.955060 -3.038514 1.520037
H -1.801413 -2.107059 3.028693
H -2.802263 -1.470257 1.696446
H 3.071607 2.402368 -0.415593
H 2.956583 3.128451 1.205603


