%chk=000104167.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104167

0 1
 O   -2.903300     -0.1816000      6.3299999E-02
 O  -0.2134000      0.5318000     -0.2457000    
 O    4.426400     -0.1523000      0.8469000    
 N    1.837800      -1.452500      6.6799998E-02
 N    2.306300     -5.9500001E-02 -0.2057000    
 C   0.4832000      -1.739800     -0.5680000    
 C  -0.5934000     -0.8227000      2.3000001E-03
 C    2.866600      -2.375000     -0.5996000    
 C    1.825500      -1.775900       1.555200    
 C   -1.985600      -1.066400     -0.5726000    
 C   -4.218800     -0.3459000     -0.4454000    
 C   -5.147900      0.6234000      0.2715000    
 C    3.475700      0.3424000      0.2133000    
 C   -6.587500      0.4896000     -0.2167000    
 C    3.875700       1.760700     -9.8200001E-02
 C   -7.519300       1.428900      0.5321000    
 C    4.531300       2.100900      -1.407000    
 C    3.540800       2.693900      0.8076000    
 H   0.2402000      -2.793900     -0.3919000    
 H   0.6047000      -1.571900      -1.645000    
 H  -0.6615000     -0.9266000       1.089900    
 H    3.023600      -2.033500      -1.627800    
 H    3.803700      -2.397300     -4.1999999E-02
 H    2.452500      -3.389100     -0.6067000    
 H    1.342200     -0.9507000       2.085100    
 H    1.268200      -2.706400       1.701700    
 H    2.842900      -1.912700       1.927400    
 H   -2.291000      -2.104300     -0.3976000    
 H   -1.987300     -0.8650000      -1.650400    
 H   -4.550300      -1.377500     -0.2779000    
 H   -4.225100     -0.1432000      -1.522900    
 H  -0.1701000      0.6574000      -1.209200    
 H   -5.095300      0.4419000       1.352400    
 H   -4.789700       1.649700      0.1227000    
 H   -6.638900      0.7092000      -1.289400    
 H   -6.933500     -0.5415000     -7.9599999E-02
 H   -7.516700       1.211600       1.604900    
 H   -7.219800       2.472500      0.3918000    
 H   -8.544600       1.317600      0.1655000    
 H    4.654600       3.181200      -1.535700    
 H    3.925200       1.731200      -2.240500    
 H    5.521800       1.639000      -1.468200    
 H    3.765900       3.742100      0.6400000    
 H    3.033400       2.440500       1.733200    


%chk=000104167-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104167

0 1
O -2.805504 0.158634 -0.356131
O 0.381966 1.108235 -1.935419
O 3.932086 -0.445388 1.199502
N 1.259767 -0.763444 0.421245
N 2.242508 0.028032 -0.430376
C -0.057017 -0.754279 -0.372295
C -0.486502 0.642090 -0.866161
C 1.707370 -2.216971 0.583105
C 1.060909 -0.130322 1.797722
C -1.907411 0.571340 -1.441832
C -4.216656 0.141669 -0.766207
C -5.057668 -0.286468 0.439537
C 3.504358 0.124689 0.117240
C -6.569549 -0.334010 0.116301
C 4.444338 0.992626 -0.696843
C -7.420216 -0.762081 1.331373
C 5.906700 0.611275 -0.584318
C 4.003617 2.066265 -1.408207
H -0.835402 -1.191008 0.277502
H 0.116890 -1.396657 -1.252847
H -0.504095 1.355195 -0.012891
H 1.897880 -2.617575 -0.423692
H 2.635786 -2.212341 1.171634
H 0.902825 -2.783782 1.081692
H 0.754599 0.915062 1.655035
H 0.278713 -0.689595 2.337866
H 2.028164 -0.177005 2.318098
H -1.945885 -0.151728 -2.285703
H -2.181071 1.574185 -1.829243
H -4.353819 -0.566395 -1.615158
H -4.516539 1.155341 -1.115660
H 1.314766 0.828202 -1.602794
H -4.714980 -1.282899 0.781090
H -4.872166 0.419458 1.272194
H -6.903176 0.663601 -0.235252
H -6.745948 -1.036217 -0.724002
H -7.126680 -1.767957 1.686012
H -7.289419 -0.057896 2.174312
H -8.495978 -0.792560 1.079719
H 6.554455 1.355199 -1.078438
H 6.092747 -0.378368 -1.044389
H 6.190497 0.519407 0.478752
H 4.704844 2.701921 -1.962238
H 2.945098 2.342819 -1.449935


