%chk=000018469.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018469

0 1
 O  -0.2319000       1.189600       2.237700    
 O    5.741100      0.1900000     -0.8486000    
 O   -5.840000     -0.3612000      -1.880900    
 O   -5.631800      0.2162000      0.3081000    
 N  -0.5733000     -0.7010000      0.1908000    
 C   -1.700400      -1.421500      0.4881000    
 C   0.5236000      -1.527500      0.2056000    
 C   -3.048000     -0.8143000      0.5510000    
 C  -0.5508000      0.6711000     -8.5500002E-02
 C   -1.322300      -2.729600      0.6961000    
 C   8.1600003E-02  -2.797700      0.5178000    
 C    1.869400      -1.084900     -6.6100001E-02
 C   -3.771100     -0.8481000     -0.8035000    
 C  -0.3799000       1.587500      0.9419000    
 C  -0.7017000       1.088800      -1.400100    
 C    2.359300      -1.103800      -1.371800    
 C    2.680500     -0.6378000      0.9768000    
 C  -0.3594000       2.951100      0.6486000    
 C  -0.6812000       2.452400      -1.693200    
 C   -5.163200     -0.2793000     -0.7084000    
 C    3.660500     -0.6757000      -1.634700    
 C    3.981800     -0.2095000      0.7141000    
 C  -0.5100000       3.383500     -0.6690000    
 C    4.471800     -0.2285000     -0.5918000    
 C   -1.420800       1.055700       3.013100    
 C    6.516000      0.6345000      0.2639000    
 H   -3.018800      0.2171000      0.9138000    
 H   -3.647800      -1.362000       1.290700    
 H   -1.983300      -3.547200      0.9483000    
 H   0.7004000      -3.680200      0.6083000    
 H   -3.221400     -0.2701000      -1.552200    
 H   -3.851400      -1.883700      -1.154600    
 H  -0.8313000      0.3744000      -2.208900    
 H    1.739600      -1.448900      -2.196200    
 H    2.312900     -0.6176000       2.000200    
 H  -0.2260000       3.682400       1.441300    
 H  -0.7974000       2.789000      -2.719300    
 H    4.036600     -0.6923000      -2.653900    
 H    4.557300      0.1254000       1.570400    
 H  -0.4937000       4.445100     -0.8974000    
 H   -1.716800      4.9000001E-03   3.056100    
 H   -2.242500       1.668200       2.627100    
 H   -1.197900       1.386200       4.031800    
 H   -6.741900      1.8100001E-02  -1.810300    
 H    6.686000     -0.1729000      0.9842000    
 H    6.076400       1.522100      0.7314000    
 H    7.496900      0.9297000     -0.1227000    


%chk=000018469-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018469

0 1
O -0.282441 1.504268 2.448047
O 5.936753 -0.255805 -0.620507
O -5.891738 0.049535 -2.132818
O -6.025908 0.079819 0.184679
N -0.699653 -0.613352 0.276351
C -1.892126 -1.354750 0.437187
C 0.408611 -1.500021 0.238520
C -3.258061 -0.720565 0.474974
C -0.665096 0.811911 0.041736
C -1.533529 -2.706770 0.523564
C -0.108837 -2.798712 0.392963
C 1.815193 -1.100490 0.043018
C -3.919189 -0.616481 -0.923294
C -0.509525 1.765458 1.090410
C -0.793088 1.270208 -1.293862
C 2.651403 -1.917839 -0.775910
C 2.407980 0.031550 0.663093
C -0.492806 3.149195 0.769970
C -0.770089 2.642571 -1.607348
C -5.354213 -0.135289 -0.848356
C 4.009054 -1.618485 -0.969519
C 3.769355 0.352285 0.467324
C -0.620916 3.585236 -0.560666
C 4.575265 -0.474220 -0.352812
C -0.695446 0.241564 3.094747
C 6.562493 0.920015 -0.012696
H -3.219573 0.291272 0.920238
H -3.915655 -1.321516 1.127832
H -2.229783 -3.530772 0.676999
H 0.495704 -3.702954 0.448164
H -3.355966 0.069085 -1.582360
H -3.911055 -1.600970 -1.429190
H -0.880681 0.516436 -2.084437
H 2.215185 -2.787666 -1.278994
H 1.820472 0.662873 1.336191
H -0.372746 3.857463 1.595483
H -0.861035 2.971911 -2.647042
H 4.646121 -2.244024 -1.602266
H 4.184693 1.232647 0.966886
H -0.604564 4.658070 -0.781221
H -0.086993 -0.613732 2.757639
H -1.764043 0.034707 2.912781
H -0.527688 0.425335 4.166908
H -6.835963 0.355792 -2.050286
H 6.537211 0.864316 1.093267
H 6.072699 1.855557 -0.346903
H 7.605913 0.903034 -0.360383


