%chk=000059887.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059887

0 1
 O  -0.8204000      -2.331700      -1.147600    
 O    3.952200      -1.712900      0.3628000    
 O    2.192100       2.673900     -0.4102000    
 O    4.330000       1.027200      0.2135000    
 N   -3.079600     -0.8249000     -0.6650000    
 N   -1.806200     -0.3430000     -0.4734000    
 C   -3.970500      0.7526000       1.868900    
 C   -4.974700       1.181000      0.8062000    
 C   -3.562100     -0.7187000       1.849700    
 C   -4.325500       1.404900     -0.5582000    
 C   -3.639900      -1.467700      0.5166000    
 C   -3.966500      0.1288000      -1.320900    
 C  -0.7374000      -1.174700     -0.7430000    
 C   0.6061000     -0.5908000     -0.4909000    
 C   0.7633000      0.7767000     -0.5716000    
 C    1.651100      -1.436300     -0.1826000    
 C    2.911600     -0.8888000      5.6200001E-02
 C    2.023900       1.324300     -0.3330000    
 C    3.098100      0.4916000     -1.9099999E-02
 C    3.676500      -3.111100      0.4193000    
 C    1.042700       3.452700     -0.7365000    
 C    4.635500       1.387000       1.558800    
 H   -4.390100      0.9714000       2.859300    
 H   -3.071000       1.376600       1.791300    
 H   -5.408400       2.137600       1.124600    
 H   -5.806700      0.4711000      0.7373000    
 H   -2.544200     -0.7967000       2.253400    
 H   -4.198100      -1.259700       2.563100    
 H   -5.030700       1.972100      -1.179500    
 H   -3.440100       2.043600     -0.4525000    
 H   -3.132200      -2.431900      0.6542000    
 H   -4.685200      -1.741900      0.3210000    
 H   -4.895700     -0.3883000      -1.594900    
 H   -3.518300      0.4204000      -2.280400    
 H   -1.709300      0.5746000     -5.2499998E-02
 H  -7.8000002E-02   1.391000     -0.8628000    
 H    1.449000      -2.499600     -0.1292000    
 H    4.615600      -3.613900      0.6730000    
 H    3.361700      -3.500900     -0.5548000    
 H    2.964000      -3.350500       1.216100    
 H   0.2609000       3.361300      2.5400000E-02
 H   0.6756000       3.228800      -1.744000    
 H    1.357000       4.501700     -0.7414000    
 H    3.940300       2.151100       1.920900    
 H    5.648700       1.797700       1.581900    
 H    4.599700      0.5082000       2.210500    


%chk=000059887-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059887

0 1
O -0.850279 -2.413419 -0.947433
O 4.104496 -1.536573 0.369041
O 2.268432 2.827416 -0.300761
O 4.374852 1.251964 0.173768
N -3.193969 -0.885330 -0.501693
N -1.885823 -0.410778 -0.293423
C -4.271129 0.827453 1.782590
C -5.224436 1.198430 0.613798
C -3.954638 -0.684172 1.971607
C -4.505910 1.322798 -0.754569
C -3.832933 -1.530072 0.667138
C -4.036611 -0.027821 -1.361991
C -0.767582 -1.209159 -0.569214
C 0.558031 -0.523139 -0.344369
C 0.723374 0.880917 -0.437544
C 1.667572 -1.351536 -0.071544
C 2.944144 -0.783570 0.126292
C 2.000919 1.454347 -0.229323
C 3.128371 0.630699 0.069047
C 3.978407 -2.997629 0.324395
C 1.157937 3.708455 -0.663232
C 5.155518 1.010656 1.406002
H -4.692206 1.207557 2.734144
H -3.324117 1.391096 1.636271
H -5.700888 2.171752 0.844847
H -6.049992 0.460252 0.541734
H -3.019537 -0.774725 2.558589
H -4.747765 -1.153227 2.588156
H -5.180132 1.805813 -1.491387
H -3.637040 2.005347 -0.637489
H -3.276798 -2.460217 0.889486
H -4.838765 -1.834408 0.323013
H -4.926336 -0.632116 -1.626196
H -3.478912 0.156262 -2.298836
H -1.743441 0.453213 0.248788
H -0.120243 1.515304 -0.723175
H 1.499705 -2.431678 -0.052925
H 4.998048 -3.376732 0.486831
H 3.603711 -3.334785 -0.660283
H 3.307994 -3.368629 1.123196
H 0.340122 3.661838 0.083715
H 0.757978 3.464444 -1.667024
H 1.590450 4.719563 -0.673901
H 4.588457 1.356820 2.291398
H 6.064911 1.618168 1.284163
H 5.410852 -0.056950 1.508301


