%chk=000157080.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157080

0 1
 O   0.3359000      -1.094900       1.426100    
 O   0.9808000     -0.4590000      -2.022800    
 N   -1.632500     -0.6778000     -0.7036000    
 N    1.286600       1.039700      0.9464000    
 C  -0.8478000      0.3955000     -3.7799999E-02
 C   0.5257000     -8.8200003E-02  0.4077000    
 C   -3.103600      0.5389000       1.062700    
 C   -1.641400       1.020400       1.130600    
 C    1.405700     -0.7365000     -0.7037000    
 C   -3.621500      0.8138000     -0.3700000    
 C   -2.809000     -5.4099999E-02  -1.362100    
 C   -3.078400     -0.9795000       1.313000    
 C   -2.142500      -1.647000      0.2934000    
 C    1.363800      -2.214900     -0.3743000    
 C    2.732700     -6.8400003E-02 -0.4789000    
 C    1.161400      -2.226500       1.124700    
 C    2.592900      0.9337000      0.4847000    
 C   -5.095800      0.5813000     -0.5079000    
 C    3.950600     -0.3143000      -1.092500    
 C    3.666600       1.736300      0.8292000    
 C    5.042800      0.4758000     -0.7320000    
 C    4.901000       1.496600      0.2202000    
 C   -5.973800       1.529100     -0.8530000    
 H  -0.6798000       1.191800     -0.7788000    
 H   -3.711100       1.048200       1.819000    
 H   -1.610200       2.114300       1.049800    
 H   -1.226900      0.7646000       2.112900    
 H   -3.410400       1.868800     -0.5984000    
 H   -3.424300     -0.8351000      -1.828500    
 H   -2.464500      0.5714000      -2.196300    
 H   -4.083800      -1.409600       1.253200    
 H   -2.709700      -1.176700       2.327100    
 H   -1.392500      -2.261800      0.7823000    
 H   -2.728000      -2.400800     -0.2530000    
 H    2.257000      -2.770100     -0.6769000    
 H   0.5098000      -2.687400     -0.8737000    
 H    1.048100       1.522900       1.800500    
 H   0.6830000      -3.143500       1.479800    
 H    2.110800      -2.107400       1.658200    
 H   -5.475400     -0.4217000     -0.3312000    
 H    1.150800      0.4783000      -2.218800    
 H    4.056600      -1.093100      -1.839800    
 H    3.561700       2.533100       1.558300    
 H    6.009700      0.3060000      -1.197900    
 H    5.759500       2.109100      0.4823000    
 H   -7.028800       1.293800     -0.9427000    
 H   -5.661900       2.548700      -1.050700    


%chk=000157080-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157080

0 1
O 0.598577 -1.332122 1.380926
O 0.904322 -0.213240 -2.119318
N -1.739576 -0.978933 -0.341245
N 1.284654 0.964847 0.988975
C -0.911545 0.192178 0.110745
C 0.547318 -0.178556 0.437979
C -3.182410 0.637315 1.097607
C -1.668327 0.975465 1.236037
C 1.435175 -0.632248 -0.812136
C -3.592239 0.759042 -0.413399
C -2.848504 -0.420023 -1.173072
C -3.385342 -0.823327 1.582941
C -2.349107 -1.719409 0.815994
C 1.390553 -2.167434 -0.741358
C 2.773914 0.034512 -0.519884
C 1.381313 -2.446312 0.768335
C 2.616596 0.964919 0.546750
C -5.083441 0.718936 -0.640202
C 4.011523 -0.113288 -1.166165
C 3.704117 1.752161 0.986740
C 5.112384 0.672169 -0.735436
C 4.949157 1.591040 0.331236
C -5.810195 1.681543 -1.263552
H -0.831430 0.846187 -0.779401
H -3.787365 1.336574 1.702498
H -1.494762 2.063151 1.134864
H -1.324459 0.664904 2.243517
H -3.213637 1.731894 -0.789043
H -3.555750 -1.241358 -1.392831
H -2.438323 -0.063307 -2.134079
H -4.424729 -1.154428 1.399956
H -3.215551 -0.881400 2.674646
H -1.526465 -2.029405 1.476821
H -2.832058 -2.626381 0.408705
H 2.245032 -2.636500 -1.257154
H 0.443999 -2.487469 -1.208967
H 1.006745 1.364727 1.884079
H 0.871722 -3.386994 1.039116
H 2.402414 -2.440923 1.197293
H -5.603526 -0.184493 -0.281633
H 1.298762 0.669722 -2.339004
H 4.126177 -0.827372 -1.990095
H 3.594865 2.467313 1.809250
H 6.087145 0.567802 -1.222828
H 5.805239 2.191692 0.660243
H -6.891281 1.582195 -1.413437
H -5.341781 2.598436 -1.644214


