%chk=000124326.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124326

0 1
 O   -1.449400       4.191200     -0.9031000    
 O   -2.961600      -3.305300     -0.9869000    
 O    4.414500     -0.9122000     -0.8626000    
 O  -0.7824000       2.287900      -1.949700    
 O   -1.661300      -1.736900      -1.992700    
 O    2.498600     -0.3228000      -1.932600    
 N   5.0700001E-02   1.651900      0.7872000    
 N   -1.486600     -0.8039000      0.7799000    
 N    1.408300     -0.9072000      0.7242000    
 C   -1.312300       1.607100       1.339800    
 C    1.096200       1.366100       1.781900    
 C   -1.746500      0.2057000       1.817900    
 C    2.072500      0.2927000       1.257100    
 C  -0.7588000      -1.982100       1.276800    
 C   0.6794000      -1.676100       1.744800    
 C   0.3005000       2.922300      0.1082000    
 C   -2.721600      -1.196100      0.1033000    
 C    2.355500      -1.754300      1.5000000E-03
 C  -0.6902000       3.071300      -1.013100    
 C   -2.372300      -2.084700      -1.058400    
 C    3.066700     -0.9148000      -1.023500    
 H   -1.412400       2.317900       2.170500    
 H   -2.055100       1.902800      0.5900000    
 H    1.664900       2.270500       2.037600    
 H   0.6742000       1.035900       2.737100    
 H   -1.235700     -3.0999999E-02   2.757300    
 H   -2.810300      0.2367000       2.090200    
 H    2.667100      0.8078000      0.4952000    
 H    2.770400      1.8500000E-02   2.059200    
 H  -0.6556000      -2.744100      0.4958000    
 H   -1.311800      -2.455400       2.098700    
 H   0.6440000      -1.152000       2.705700    
 H    1.186000      -2.623600       1.973300    
 H   0.2170000       3.771200      0.7980000    
 H    1.300900       2.953300     -0.3392000    
 H   -3.405200      -1.719000      0.7833000    
 H   -3.254600     -0.3286000     -0.3033000    
 H    3.093200      -2.199400      0.6809000    
 H    1.849000      -2.569900     -0.5266000    
 H   -2.077800       4.281800      -1.650900    
 H   -2.737200      -3.865600      -1.760200    
 H    4.863600     -0.3740000      -1.548900    


%chk=000124326-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000124326

0 1
O -0.095303 3.152465 -2.174013
O -2.680517 -1.673080 -2.248859
O 2.746063 -1.455088 -2.251785
O -1.376028 1.369316 -1.436979
O -0.494797 -1.883326 -1.513294
O 1.821237 0.520428 -1.472935
N -0.156308 1.737467 1.253972
N -1.422224 -1.020877 1.179124
N 1.600464 -0.753345 1.204638
C -1.526973 1.482595 1.690351
C 0.949113 1.503635 2.180239
C -1.798177 0.012813 2.142043
C 2.072930 0.551002 1.663286
C -0.533092 -2.098687 1.608527
C 0.858434 -1.613694 2.123545
C 0.084859 2.650651 0.156038
C -2.334090 -1.247647 0.076297
C 2.260561 -1.397147 0.088371
C -0.543735 2.263641 -1.182431
C -1.685778 -1.611077 -1.257913
C 2.204491 -0.643859 -1.240238
H -1.845464 2.140226 2.543149
H -2.198486 1.714757 0.844974
H 1.457715 2.454181 2.478305
H 0.529752 1.093735 3.117729
H -1.251758 -0.181890 3.083172
H -2.881387 -0.038885 2.416070
H 2.579838 1.043104 0.814057
H 2.830425 0.478207 2.489681
H -0.367893 -2.764836 0.743606
H -0.972235 -2.732861 2.425145
H 0.721889 -1.064157 3.073118
H 1.431912 -2.534095 2.396968
H -0.252111 3.702364 0.352350
H 1.169159 2.711327 -0.040251
H -3.098294 -2.046632 0.267621
H -2.902533 -0.323101 -0.123980
H 3.346240 -1.617686 0.263300
H 1.781456 -2.371269 -0.109605
H -0.498573 2.890773 -3.045039
H -2.253484 -1.900432 -3.118221
H 2.697202 -0.965416 -3.116432


