%chk=000117515.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117515

0 1
 O   -2.300300       1.215800      0.3465000    
 O    2.571100      0.7708000      0.3408000    
 O   -3.523600       1.951600      -1.459500    
 O    3.906900       1.279200      -1.463900    
 N   -4.540500       1.401300      0.5279000    
 N    4.808800      0.5452000      0.5198000    
 C   0.1300000      0.9220000      0.4275000    
 C  -2.4499999E-02 -0.5432000      0.9335000    
 C  -0.1971000      -1.607200     -0.1584000    
 C   -1.101500       1.336500     -0.4111000    
 C    1.414400       1.110100     -0.4139000    
 C   0.2213000       1.832700       1.675100    
 C  -0.4077000      -3.019500      0.4023000    
 C  -0.5579000      -4.134500     -0.6356000    
 C  -0.7132000      -5.518500     -2.5400000E-02
 C   -3.456400       1.558000     -0.2999000    
 C    3.770500      0.8997000     -0.3056000    
 H   0.8472000     -0.8114000       1.545000    
 H  -0.8882000     -0.6027000       1.609500    
 H   0.6853000      -1.619100     -0.8075000    
 H   -1.059200      -1.369300     -0.7895000    
 H  -0.9913000       2.384900     -0.7187000    
 H   -1.176600      0.7357000      -1.324500    
 H    1.373900      0.4915000      -1.318200    
 H    1.495400       2.158500     -0.7297000    
 H    1.079100       1.570000       2.304100    
 H  -0.6746000       1.751300       2.300600    
 H   0.3293000       2.884400       1.386300    
 H   0.4400000      -3.263500       1.055400    
 H   -1.298800      -3.014600       1.042900    
 H   0.3193000      -4.134900      -1.293400    
 H   -1.428300      -3.923300      -1.267900    
 H   -1.601500      -5.565900      0.6124000    
 H   0.1598000      -5.777600      0.5817000    
 H  -0.8173000      -6.272000     -0.8124000    
 H   -5.481500       1.609900      0.2116000    
 H   -4.433600       1.071800       1.481400    
 H    5.771700      0.5806000      0.2028000    
 H    4.644600      0.2368000       1.472200    


%chk=000117515-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000117515

0 1
O -2.316226 1.213103 0.360840
O 2.553269 0.721687 0.367094
O -3.547422 1.978771 -1.500192
O 3.915642 1.214569 -1.494692
N -4.580664 1.344333 0.512720
N 4.800636 0.420645 0.532123
C 0.117268 0.958075 0.463491
C -0.040966 -0.519152 0.942696
C -0.220509 -1.592474 -0.154894
C -1.071653 1.398785 -0.423155
C 1.370588 1.132239 -0.427104
C 0.219719 1.888424 1.700811
C -0.350654 -3.014504 0.439105
C -0.540380 -4.109554 -0.635246
C -0.673505 -5.525873 -0.034932
C -3.501345 1.553480 -0.319674
C 3.784350 0.821117 -0.309492
H 0.851908 -0.770448 1.547352
H -0.913133 -0.558356 1.623519
H 0.639879 -1.578204 -0.854445
H -1.125688 -1.376289 -0.757448
H -0.988449 2.465468 -0.705721
H -1.146343 0.802834 -1.351110
H 1.326748 0.511721 -1.341028
H 1.502201 2.186896 -0.735702
H 1.076876 1.597642 2.331787
H -0.702367 1.826494 2.303739
H 0.361291 2.943402 1.397290
H 0.552967 -3.245126 1.041570
H -1.208605 -3.040324 1.143447
H 0.317859 -4.082774 -1.337281
H -1.441438 -3.875110 -1.237953
H -1.543646 -5.587498 0.645869
H 0.227287 -5.795183 0.548573
H -0.806455 -6.289922 -0.822817
H -5.511543 1.547064 0.160563
H -4.445427 0.998315 1.459222
H 5.754379 0.437152 0.183175
H 4.598549 0.119672 1.482099


