%chk=000177285.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000177285

0 1
 O  -0.4638000       3.081100     -2.7000001E-02
 O    1.511400      -5.389800     -4.2700000E-02
 N  -0.9318000      -1.314800     -8.4899999E-02
 N   -2.229700      0.7023000     -0.1066000    
 N   -5.910100      0.3058000     -0.2111000    
 C    1.472800      6.5200001E-02 -4.9000001E-03
 C   0.1570000      0.7326000     -3.7000000E-02
 C    2.497300       1.140600      2.5599999E-02
 C    1.534100      -1.294200     -3.8999999E-03
 C   -1.015400      6.9399998E-02 -7.6499999E-02
 C    1.830800       2.383700      2.2600001E-02
 C   0.3711000       2.201900     -1.5200000E-02
 C   0.2437000      -2.045800     -5.1600002E-02
 C   -3.482600     -1.9999999E-04 -0.1487000    
 C    3.884100       1.149000      4.6100002E-02
 C    2.771000      -2.062600      4.5000002E-02
 C    2.483600       3.606700      4.6300001E-02
 C   -4.630800       1.000800     -0.1410000    
 C   0.2510000      -3.390800     -6.3199997E-02
 C    4.567000       2.375200      7.0600003E-02
 C    2.781100      -3.401000      3.3700000E-02
 C    3.873700       3.592800      7.1699999E-02
 C    1.515100      -4.163900     -2.6500000E-02
 C   -7.016800       1.264100     -0.2431000    
 C   -6.063600     -0.6084000      0.9221000    
 H   -1.798500      -1.837400     -0.1198000    
 H   -2.229800       1.717200     -0.1012000    
 H   -3.537500     -0.6225000      -1.050700    
 H   -3.524100     -0.6532000      0.7286000    
 H    4.481300      0.2486000      4.1000001E-02
 H    3.727000      -1.568800      9.8600000E-02
 H   -4.569000       1.637000      0.7528000    
 H   -4.524500       1.664900      -1.008900    
 H    1.939700       4.544600      4.3499999E-02
 H  -0.6709000      -3.962700     -9.9600002E-02
 H    5.654100       2.380400      8.7399997E-02
 H    3.709700      -3.959000      7.1599998E-02
 H    4.426100       4.527900      9.0200000E-02
 H   -7.974400      0.7439000     -0.3565000    
 H   -6.921500       1.933400      -1.105500    
 H   -7.060600       1.875600      0.6656000    
 H   -5.864300     -0.1226000       1.884300    
 H   -5.428200      -1.493800      0.8223000    
 H   -7.086900      -1.002800      0.9571000    


%chk=000177285-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000177285

0 1
O -0.660026 2.959684 0.233599
O 1.665821 -5.549407 -0.393116
N -0.859922 -1.436669 -0.064576
N -2.185422 0.551695 0.085740
N -5.947614 0.288371 -0.000201
C 1.517355 0.065663 -0.006836
C 0.222851 0.681076 0.057960
C 2.510713 1.178853 0.051196
C 1.627427 -1.335515 -0.104828
C -0.974128 -0.067357 0.027719
C 1.788212 2.416863 0.149329
C 0.320082 2.128144 0.156391
C 0.387259 -2.122856 -0.135468
C -3.491729 -0.121159 0.067376
C 3.920616 1.209863 0.026535
C 2.864088 -2.086490 -0.179091
C 2.441302 3.655856 0.221599
C -4.619142 0.927350 -0.067873
C 0.394254 -3.506882 -0.230390
C 4.584056 2.462178 0.099124
C 2.882470 -3.462078 -0.273451
C 3.858141 3.673912 0.195660
C 1.643063 -4.264429 -0.305098
C -6.987591 1.027230 -0.747962
C -6.378477 -0.026430 1.378883
H -1.701886 -2.016468 -0.086839
H -2.116069 1.584904 0.166868
H -3.569326 -0.815989 -0.792849
H -3.637399 -0.712396 0.995262
H 4.519447 0.299006 -0.046987
H 3.809668 -1.539613 -0.159691
H -4.482028 1.717525 0.714837
H -4.514932 1.424757 -1.049520
H 1.857864 4.579149 0.295682
H -0.536919 -4.086445 -0.253467
H 5.679052 2.489083 0.079933
H 3.824351 -4.018745 -0.329290
H 4.396412 4.626232 0.250295
H -7.923566 0.440921 -0.748664
H -6.671462 1.161396 -1.797187
H -7.214902 2.034859 -0.319225
H -6.547772 0.887221 2.002213
H -5.625512 -0.651702 1.889227
H -7.320781 -0.600760 1.347779


