%chk=000170107.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170107

0 1
 O   -3.576200      0.2940000      5.3700000E-02
 O   -2.527000      -1.760300      2.5599999E-02
 N  -9.7300000E-02 -0.5639000     -0.2762000    
 C    1.199300     -0.1402000     -2.6000001E-02
 C    1.538000       1.226400     -7.7000000E-02
 C    2.216400      -1.063900      0.2854000    
 C   0.4974000       2.247800     -0.4037000    
 C    1.911400      -2.525100      0.3526000    
 C    2.842400       1.652500      0.1734000    
 C    3.520800     -0.6378000      0.5359000    
 C    3.833800      0.7204000      0.4798000    
 C   -1.252000      0.2955000     -0.1918000    
 C    1.061200       3.665100     -0.4105000    
 C    2.098500      -3.216900     -0.9941000    
 C   -2.495500     -0.5384000     -2.6900001E-02
 C   -4.842500     -0.3536000      0.2137000    
 C   -5.928700      0.6985000      0.2861000    
 H   9.7400002E-02   2.087600      -1.408200    
 H  -0.2593000       2.333500      0.3715000    
 H    2.581200      -3.000300       1.082100    
 H   0.9070000      -2.715900      0.7467000    
 H  -0.2554000      -1.542700     -0.4820000    
 H    3.164500       2.686600      0.1489000    
 H    4.304600      -1.352200      0.7736000    
 H    4.850100       1.050800      0.6743000    
 H   -1.252900      0.8541000      0.7475000    
 H   -1.418700      0.8721000      -1.103000    
 H    1.449500       3.969800      0.5682000    
 H   0.2564000       4.369400     -0.6553000    
 H    1.833100       3.804700      -1.175800    
 H    1.426900      -2.802300      -1.753000    
 H    1.885900      -4.286600     -0.9011000    
 H    3.125700      -3.106200      -1.358000    
 H   -5.024600      -1.015500     -0.6403000    
 H   -4.836700     -0.9438000       1.136800    
 H   -6.912600      0.2370000      0.4087000    
 H   -5.750400       1.379400       1.124800    
 H   -5.935100       1.308900     -0.6230000    


%chk=000170107-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170107

0 1
O -3.643103 0.092382 0.210226
O -2.359536 -1.743204 -0.441262
N -0.086474 -0.181584 -0.648047
C 1.188401 0.095121 -0.079340
C 1.680388 1.441316 -0.019173
C 1.996321 -0.993455 0.390499
C 0.887994 2.577141 -0.668237
C 1.529754 -2.439806 0.273453
C 2.944020 1.673613 0.574979
C 3.263104 -0.711409 0.952448
C 3.735479 0.612986 1.066020
C -1.309439 0.480730 -0.186265
C 1.682658 3.867152 -0.958033
C 1.750888 -3.041463 -1.143566
C -2.459078 -0.524877 -0.158882
C -4.858951 -0.783805 0.275489
C -6.019809 0.108521 0.699173
H 0.466493 2.185920 -1.616893
H 0.011964 2.848501 -0.042849
H 2.087014 -3.055456 1.003736
H 0.458303 -2.532486 0.543708
H -0.259547 -1.161913 -0.892265
H 3.331009 2.696440 0.629092
H 3.874943 -1.544840 1.320148
H 4.711786 0.816779 1.519151
H -1.193827 0.891573 0.838219
H -1.626399 1.328321 -0.827190
H 2.019855 4.362922 -0.029329
H 1.048569 4.589129 -1.504561
H 2.575066 3.660213 -1.576227
H 1.208547 -2.474172 -1.922589
H 1.402861 -4.089865 -1.184664
H 2.822960 -3.019799 -1.409433
H -5.009347 -1.235707 -0.721408
H -4.658814 -1.595745 0.997511
H -6.945862 -0.491266 0.763543
H -5.830095 0.561089 1.687247
H -6.181496 0.919504 -0.031030


