%chk=000117286.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117286

0 1
 O   0.3441000       1.659500     -0.5898000    
 O    1.995100      0.6061000       1.805500    
 O   -1.334600       3.191800       1.038000    
 O   -2.634000     -2.8899999E-02 -3.4600001E-02
 N    2.462600     -0.2206000     -0.3526000    
 N    2.110800      -1.682700       1.324800    
 C    2.540100      -1.525000     -0.9766000    
 C    2.592200       1.002800      -1.112700    
 C    2.417900      -2.503800      0.1815000    
 C    1.254400       1.461300      -1.663900    
 C    2.170000     -0.3136000       1.017100    
 C   -1.884800       2.244800      0.1193000    
 C  -0.9269000       2.090500      -1.056700    
 C   -2.074300      0.9273000      0.8596000    
 C   -2.815100      -1.287600      0.5980000    
 C   -3.402500      -2.240600     -0.3894000    
 C   -2.814900      -3.381200     -0.7675000    
 H    1.710100      -1.631200      -1.682300    
 H    3.489800      -1.632300      -1.508800    
 H    2.975700       1.769200     -0.4295000    
 H    3.323500      0.8520000      -1.912800    
 H    3.358500      -3.027300      0.3764000    
 H    1.620000      -3.236200      3.1599998E-02
 H   0.8505000      0.7067000      -2.349100    
 H    1.387200       2.400500      -2.212900    
 H    1.920600      -2.043800       2.254200    
 H   -2.846900       2.624600     -0.2404000    
 H  -0.8011000       3.063700      -1.546600    
 H   -1.322900       1.378500      -1.789800    
 H   -1.123100      0.5599000       1.264700    
 H   -2.750000       1.079500       1.710400    
 H  -0.4603000       2.866200       1.313100    
 H   -3.504100      -1.179700       1.443500    
 H   -1.852400      -1.651800      0.9763000    
 H   -4.368400      -1.985200     -0.8171000    
 H   -3.295100      -4.033500      -1.488700    
 H   -1.852200      -3.682900     -0.3697000    


%chk=000117286-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000117286

0 1
O 0.458953 1.946711 -0.609454
O 2.623367 0.293754 1.957477
O -1.441165 3.335896 0.921922
O -2.221354 -0.169213 -0.082731
N 2.339168 -0.265221 -0.347487
N 1.615224 -1.735354 1.203399
C 1.596376 -1.295747 -1.100031
C 2.687301 1.044259 -0.893533
C 1.529336 -2.466184 -0.076014
C 1.514886 1.749984 -1.597690
C 2.234864 -0.479425 1.039175
C -1.825030 2.234035 0.027371
C -0.880180 2.165999 -1.177907
C -1.844242 0.921426 0.832188
C -2.381487 -1.444351 0.635792
C -2.798280 -2.492064 -0.364538
C -2.353125 -3.772940 -0.377268
H 0.573034 -0.947033 -1.352048
H 2.118935 -1.585677 -2.028759
H 3.032021 1.655091 -0.039413
H 3.525394 0.956179 -1.615291
H 2.384551 -3.160971 -0.210835
H 0.588098 -3.031881 -0.175463
H 1.133610 1.138109 -2.445063
H 1.860107 2.723684 -2.008216
H 1.685254 -2.201085 2.106656
H -2.843501 2.477219 -0.319917
H -0.909404 3.123191 -1.739197
H -1.162696 1.323684 -1.841591
H -0.841214 0.726773 1.264759
H -2.584144 1.013580 1.654953
H -0.461300 3.252724 1.069221
H -3.170404 -1.321346 1.414686
H -1.435126 -1.721321 1.149000
H -3.542440 -2.155242 -1.099898
H -2.728831 -4.502534 -1.102796
H -1.617055 -4.137712 0.351041


