%chk=000013978.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013978

0 1
 O    2.322800       1.636700       1.259300    
 O   0.3638000      -1.686000      -1.304500    
 O   -2.004300      0.6877000       1.971900    
 N    1.391500     -0.1820000      0.1244000    
 N  -0.9652000     -0.5597000      0.2686000    
 C    2.694100     -0.6805000     -0.2459000    
 C    3.410100      0.3081000      -1.170000    
 C    3.528100     -0.9810000       1.001800    
 C    4.812600     -0.1747000      -1.530900    
 C    4.931100      -1.460500      0.6387000    
 C    5.641500     -0.4755000     -0.2854000    
 C  -4.1600000E-02   1.586600      0.9830000    
 C    1.343600       1.019400      0.8404000    
 C   0.2646000     -0.8881000     -0.3661000    
 C  -0.3620000       2.482600     -0.2100000    
 C   -1.111200      0.5371000       1.136800    
 C   -1.685400       3.216300     -1.1400000E-02
 C   -2.111900      -1.416700      5.3599998E-02
 C   -1.986700       4.136900      -1.193700    
 C   -3.287000       4.898000     -0.9900000    
 C   -3.392600     -0.8836000      0.1355000    
 C   -1.919600      -2.762800     -0.2330000    
 C   -4.497700      -1.709000     -7.1999997E-02
 C   -3.024800      -3.588100     -0.4408000    
 C   -4.313800      -3.061200     -0.3602000    
 H    2.590800      -1.627000     -0.7914000    
 H    2.826800      0.4401000      -2.090200    
 H    3.505100       1.305300     -0.7295000    
 H    3.645600     -0.1217000       1.666300    
 H    3.027900      -1.754000       1.599100    
 H    5.319800      0.5836000      -2.138100    
 H    4.739400      -1.079200      -2.147300    
 H    4.865600      -2.438900      0.1467000    
 H    5.521400      -1.603100       1.551000    
 H    6.615300     -0.8827000     -0.5800000    
 H    5.835600      0.4579000      0.2572000    
 H  -3.9099999E-02   2.181100       1.906800    
 H  -0.4051000       1.897300      -1.137500    
 H   0.4446000       3.214600     -0.3463000    
 H   -2.512900       2.506300      9.0999998E-02
 H   -1.646000       3.806400      0.9123000    
 H   -2.054000       3.548700      -2.116300    
 H   -1.169000       4.855000      -1.325500    
 H   -3.239700       5.522400     -9.2100002E-02
 H   -4.132200       4.210000     -0.8864000    
 H   -3.482900       5.549900      -1.847100    
 H   -3.584400      0.1714000      0.3012000    
 H  -0.9439000      -3.237000     -0.2395000    
 H   -5.501400      -1.296800     -2.1299999E-02
 H   -2.882900      -4.644400     -0.6504000    
 H   -5.174200      -3.704100     -0.5211000    


%chk=000013978-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000013978

0 1
O 2.188535 1.688092 1.307685
O 0.428373 -2.015934 -0.960077
O -2.405292 0.664167 1.620315
N 1.355572 -0.153729 0.124805
N -1.022660 -0.663266 0.275154
C 2.732746 -0.614268 -0.293605
C 3.445895 0.429019 -1.187089
C 3.597146 -1.032264 0.921425
C 4.803805 -0.141201 -1.667386
C 4.955879 -1.589397 0.428907
C 5.690655 -0.568431 -0.473354
C -0.216797 1.563014 1.026609
C 1.202773 1.035789 0.867901
C 0.265109 -0.994896 -0.245627
C -0.486609 2.607995 -0.121988
C -1.302759 0.504078 1.039216
C -1.739541 3.477915 0.114070
C -2.100802 -1.624042 0.048536
C -1.971923 4.476629 -1.043471
C -3.196719 5.385361 -0.802702
C -3.192826 -1.254388 -0.764235
C -2.047456 -2.896412 0.655035
C -4.244917 -2.172294 -0.972732
C -3.099183 -3.812325 0.438070
C -4.199322 -3.452467 -0.374296
H 2.539673 -1.513712 -0.905628
H 2.805139 0.674353 -2.056145
H 3.615525 1.359274 -0.616209
H 3.764055 -0.157563 1.574425
H 3.061325 -1.800056 1.512470
H 5.325837 0.617214 -2.281578
H 4.626842 -1.018891 -2.323067
H 4.787401 -2.525997 -0.142394
H 5.583889 -1.854884 1.300690
H 6.640877 -1.000972 -0.841602
H 5.953372 0.326950 0.126180
H -0.264504 2.105899 1.985913
H -0.566033 2.076569 -1.092042
H 0.407901 3.257930 -0.177249
H -2.634696 2.840378 0.243328
H -1.619677 4.037574 1.063871
H -2.106659 3.915926 -1.991218
H -1.066413 5.102860 -1.177623
H -3.070284 5.983905 0.118801
H -4.119358 4.786183 -0.687922
H -3.350334 6.086783 -1.642993
H -3.221095 -0.260267 -1.222212
H -1.191466 -3.168852 1.280529
H -5.095766 -1.888751 -1.601344
H -3.059816 -4.803006 0.903237
H -5.015215 -4.164493 -0.539684


