%chk=000128977.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128977

0 1
 O    2.682600      0.4728000      -1.365100    
 O    3.054500       1.065300       1.323000    
 O   -3.322400       1.946300      0.1163000    
 O  -0.6927000      -2.471400      0.7867000    
 N  -0.6565000     -0.5932000     -0.1732000    
 N   -1.224500      -1.783900     -9.3199998E-02
 C   0.5427000     -0.5479000     -0.9988000    
 C    1.572500      0.4497000     -0.4631000    
 C   -1.613100      0.4291000     -0.6224000    
 C    2.083600      9.9299997E-02  0.9326000    
 C   -2.426600      0.9338000      0.5573000    
 H    1.039300      -1.530600      -1.029400    
 H   0.3134000     -0.3360000      -2.053400    
 H    1.168500       1.468000     -0.4594000    
 H   -2.267800      7.2300002E-02  -1.430700    
 H   -1.097200       1.302800      -1.044500    
 H    2.572300     -0.8806000      0.9366000    
 H    1.276400      0.1050000       1.671100    
 H   -1.776000       1.364600       1.326300    
 H   -3.021100      0.1325000       1.008700    
 H    3.081800     -0.4141000      -1.370400    
 H    3.363700      0.8154000       2.210400    
 H   -3.819900       2.246600      0.8961000    


%chk=000128977-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128977

0 1
O 2.403186 0.957007 -1.005503
O 3.111332 0.475571 1.543481
O -3.398802 1.984297 -0.220712
O 0.054110 -2.593229 0.510901
N -0.863409 -0.739723 -0.374271
N -1.027940 -1.908973 0.352239
C 0.424406 -0.373357 -1.002356
C 1.392111 0.414544 -0.091476
C -2.098116 0.030753 -0.601745
C 2.079009 -0.433061 0.990439
C -2.091726 1.400121 0.101476
H 0.922292 -1.300155 -1.342139
H 0.208452 0.259895 -1.879962
H 0.852329 1.250015 0.406589
H -2.933661 -0.573596 -0.211620
H -2.252334 0.186554 -1.685734
H 2.541745 -1.331309 0.538118
H 1.362063 -0.746229 1.771362
H -1.266116 2.036290 -0.282108
H -1.961834 1.261313 1.195361
H 3.174760 1.218134 -0.432644
H 3.679637 -0.008994 2.189925
H -3.477996 2.879932 0.191878


