%chk=000171499.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000171499

0 1
 O   -2.127300     -0.5511000       1.390800    
 O   -3.094800      -2.720100      0.3051000    
 O   -3.812800       1.711400      0.7044000    
 N    2.913400     -0.2618000     -3.3000000E-02
 C   0.1502000     -0.8899000      0.5971000    
 C   0.9293000      -1.607800     -0.5155000    
 C    1.936200     -0.5677000      -1.105700    
 C   -1.110900      -1.587900       1.157800    
 C    1.129200     -0.4476000       1.702600    
 C  -0.5276000      0.3009000      4.1000000E-03
 C    1.222000      0.6833000      -1.723800    
 C    2.318500      0.3587000       1.155000    
 C  -4.5100000E-02   1.092700      -1.022300    
 C   -1.670200      -2.721300      0.2586000    
 C   3.0000000E-03  -2.230900      -1.528400    
 C   -1.784400      0.4660000      0.5414000    
 C   -1.193000      -2.720500      -1.169400    
 C    4.074000      0.4886000     -0.5014000    
 C  -0.8377000       2.170000      -1.421900    
 C   -2.580900       1.526600      0.1695000    
 C   -2.088800       2.394900     -0.8133000    
 C    5.142100      0.5631000      0.5459000    
 C    5.616000       1.707900       1.050700    
 C   -4.560200       2.842400      0.2516000    
 H    1.507800      -2.440100     -8.6599998E-02
 H    2.491300      -1.062300      -1.914800    
 H  -0.9041000      -2.022300       2.144500    
 H    1.515200      -1.342800       2.208800    
 H   0.6200000      0.1496000       2.470000    
 H   0.9465000      0.4235000      -2.755100    
 H    1.895200       1.542500      -1.795600    
 H    2.002900       1.388200      0.9436000    
 H    3.042500      0.4218000       1.975600    
 H   -1.347500      -3.682700      0.6792000    
 H   0.3318000      -2.320900      -2.559100    
 H   -1.812300      -3.203400      -1.919900    
 H    3.798000       1.498200     -0.8265000    
 H    4.512800     -1.5900001E-02  -1.371200    
 H  -0.5077000       2.826700      -2.222500    
 H   -2.645200       3.251900      -1.180400    
 H   -3.356100      -2.746000       1.241500    
 H    5.561300     -0.3742000      0.9041000    
 H    6.395600       1.694300       1.804500    
 H    5.238000       2.671000      0.7264000    
 H   -4.050300       3.781500      0.4915000    
 H   -5.509800       2.842300      0.7964000    
 H   -4.799300       2.762500     -0.8141000    


%chk=000171499-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000171499

0 1
O -2.200951 -0.587537 1.361134
O -3.002045 -3.007633 0.584031
O -3.996134 1.572026 0.642221
N 2.914698 -0.169484 0.010458
C 0.147696 -0.820833 0.646205
C 0.930362 -1.533589 -0.498282
C 1.939049 -0.489313 -1.074138
C -1.061428 -1.601622 1.247021
C 1.152965 -0.388735 1.754110
C -0.551750 0.373469 0.016358
C 1.235609 0.766022 -1.711768
C 2.289179 0.482221 1.188129
C -0.058775 1.180488 -1.020422
C -1.567650 -2.797034 0.374573
C -0.039219 -2.117680 -1.508790
C -1.854377 0.486271 0.505536
C -1.210940 -2.668642 -1.099521
C 4.140805 0.524186 -0.452710
C -0.901036 2.235225 -1.452413
C -2.707904 1.531313 0.090471
C -2.186956 2.426368 -0.886008
C 5.284070 0.357362 0.530431
C 6.061448 1.366470 0.995556
C -4.883253 2.641384 0.178984
H 1.556781 -2.340100 -0.061647
H 2.520972 -0.985479 -1.876240
H -0.893010 -1.933506 2.283915
H 1.586022 -1.301555 2.209005
H 0.619982 0.168600 2.547865
H 0.997160 0.534870 -2.770033
H 1.962441 1.602348 -1.745786
H 1.894665 1.497464 0.937283
H 3.069601 0.623329 1.957274
H -1.085284 -3.714815 0.769747
H 0.226136 -2.090480 -2.574670
H -1.926886 -3.115596 -1.799627
H 3.984256 1.614886 -0.648569
H 4.431012 0.062264 -1.419091
H -0.572715 2.904714 -2.256431
H -2.805281 3.254018 -1.247785
H -3.399270 -2.106529 0.743276
H 5.465658 -0.678165 0.853730
H 6.894184 1.180452 1.682937
H 5.888244 2.408873 0.698540
H -4.468479 3.640067 0.418481
H -5.824144 2.488914 0.727499
H -5.068707 2.568025 -0.910636


