%chk=000021615.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021615

0 1
 O   -3.299400     -0.4941000     -0.2753000    
 O   -2.033100       1.963300       1.359900    
 O   -1.592900      -1.617500      0.7919000    
 N   0.2113000      0.2368000      7.7200003E-02
 N   0.9733000      0.1164000     -0.9051000    
 C   -1.168300      0.4913000     -0.3382000    
 C   -1.534700       1.841600      0.2409000    
 C   -2.010900     -0.6642000      0.1476000    
 C   -4.210200      -1.538100      8.3400004E-02
 C   -1.230500       3.049500     -0.6082000    
 C    2.284000     -0.1249000     -0.4603000    
 C   -5.584100      -1.200800     -0.4555000    
 C    2.715800      -1.432800     -0.2608000    
 C    3.141100      0.9452000     -0.2217000    
 C    4.016700      -1.672800      0.1815000    
 C    4.442100      0.7050000      0.2206000    
 C    4.879800     -0.6040000      0.4222000    
 H   -1.273100      0.5279000      -1.431300    
 H   -3.866500      -2.485800     -0.3459000    
 H   -4.252200      -1.626700       1.174700    
 H   -1.771600       2.977700      -1.554800    
 H  -0.1549000       3.109800     -0.7911000    
 H   -1.552200       3.955800     -8.7700002E-02
 H   -6.307100      -1.979800     -0.1985000    
 H   -5.933500     -0.2458000     -4.9300000E-02
 H   -5.554500      -1.091000      -1.544600    
 H    2.050000      -2.271500     -0.4462000    
 H    2.808300       1.968100     -0.3766000    
 H    4.357700      -2.692000      0.3385000    
 H    5.114300       1.537300      0.4080000    
 H    5.892800     -0.7908000      0.7665000    


%chk=000021615-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000021615

0 1
O -3.421638 -0.602328 -0.533290
O -2.221411 1.298306 1.757141
O -1.961303 -2.022433 0.609622
N 0.168135 -0.201699 0.134017
N 1.051240 0.431878 -0.579329
C -1.224641 0.211519 -0.219189
C -1.606273 1.446050 0.678384
C -2.188980 -0.949345 0.022492
C -4.536218 -1.577563 -0.314138
C -1.145730 2.782777 0.134058
C 2.419117 0.097637 -0.276467
C -5.792377 -0.951674 -0.909714
C 2.817331 -0.846186 0.711391
C 3.390684 0.780988 -1.050903
C 4.187757 -1.092841 0.912910
C 4.762842 0.527531 -0.840604
C 5.162961 -0.408863 0.141093
H -1.285862 0.547897 -1.272554
H -4.261583 -2.529584 -0.803546
H -4.623146 -1.757816 0.772185
H -1.828677 3.092794 -0.681299
H -0.135744 2.698180 -0.306814
H -1.165546 3.548112 0.925002
H -6.650314 -1.634881 -0.772475
H -6.027322 0.004863 -0.412798
H -5.667680 -0.764068 -1.989992
H 2.046254 -1.361822 1.292417
H 3.048329 1.497113 -1.805427
H 4.504681 -1.817878 1.670579
H 5.514944 1.054371 -1.437253
H 6.227668 -0.607938 0.306298


