%chk=000042360.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042360

0 1
 O  -0.2652000      0.4661000       1.533100    
 O   0.1733000      -1.766000       1.886600    
 O    4.831400      -2.162700     -8.6999997E-02
 O    3.566800       2.421200     -0.6598000    
 O    5.422800      0.3910000     -0.9831000    
 N   -6.058200     -4.3900002E-02  -1.357000    
 C   -3.547700     -0.5974000      4.2599998E-02
 C   -4.232300      0.7801000      9.8600000E-02
 C   -2.031300     -0.4564000      0.1978000    
 C   -3.891800       1.496900       1.411600    
 C   -3.925100      -1.304600      -1.261500    
 C   -5.750500      0.6300000     -8.5900001E-02
 C   -1.675100      0.2735000       1.493200    
 C   -2.381000       1.625700       1.593000    
 C   -5.446200      -1.378300      -1.421100    
 C   -7.505100     -0.1346000      -1.551000    
 C   0.4927000     -0.6626000       1.471800    
 C    1.797400     -0.3837000      0.8205000    
 C    2.065200      0.8977000      0.3847000    
 C    2.702600      -1.414800      0.6730000    
 C    3.929300      -1.152700      6.3000001E-02
 C    3.292000       1.159600     -0.2254000    
 C    4.224100      0.1344000     -0.3862000    
 C    4.758100      -2.923300      -1.291300    
 C    3.193900       2.741200      -1.998800    
 C    6.259900       1.363500     -0.3616000    
 H   -3.918100      -1.209400      0.8779000    
 H   -3.849600       1.397200     -0.7282000    
 H   -1.583300      -1.455400      0.1620000    
 H   -1.609100      8.6800002E-02 -0.6587000    
 H   -4.344100       2.495500       1.422100    
 H   -4.314600      0.9460000       2.261200    
 H   -3.491800     -0.7730000      -2.118700    
 H   -3.509100      -2.319100      -1.272200    
 H   -6.181600      7.8900002E-02  0.7608000    
 H   -6.201400       1.630400     -8.5800000E-02
 H   -1.972300     -0.3340000       2.358600    
 H   -2.156500       2.088400       2.561700    
 H   -1.972500       2.309900      0.8377000    
 H   -5.864200      -2.036100     -0.6475000    
 H   -5.664400      -1.839400      -2.392100    
 H   -7.735700     -0.5887000      -2.521100    
 H   -7.991600     -0.7274000     -0.7680000    
 H   -7.956000      0.8641000      -1.558000    
 H    1.364700       1.720200      0.4935000    
 H    2.483000      -2.420400       1.020600    
 H    3.788900      -3.426200      -1.368500    
 H    4.919200      -2.281500      -2.163200    
 H    5.544900      -3.682100      -1.265600    
 H    3.705600       2.084600      -2.709400    
 H    2.109600       2.658800      -2.124300    
 H    3.491900       3.773800      -2.199800    
 H    6.126900       2.336000     -0.8436000    
 H    7.299300       1.054400     -0.5066000    
 H    6.075000       1.442800      0.7154000    


%chk=000042360-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042360

0 1
O -0.400854 0.331325 0.449959
O 0.082636 -1.878112 1.037213
O 5.150649 -2.133917 0.436621
O 3.899632 2.438481 -1.010810
O 5.944326 0.450515 -0.568864
N -6.877910 0.032465 -0.810298
C -4.068369 -0.633991 -0.242949
C -4.687894 0.729781 0.165321
C -2.547044 -0.495293 -0.491791
C -3.967821 1.308859 1.405242
C -4.816125 -1.203811 -1.468408
C -6.204846 0.573148 0.394238
C -1.852000 0.090032 0.749887
C -2.443245 1.443790 1.164471
C -6.331007 -1.290714 -1.196891
C -8.345470 0.007416 -0.664969
C 0.464147 -0.751835 0.626420
C 1.872862 -0.404392 0.277733
C 2.225831 0.870695 -0.229968
C 2.862042 -1.402751 0.446245
C 4.212780 -1.128668 0.148293
C 3.569049 1.144117 -0.543489
C 4.583645 0.166099 -0.321301
C 6.084181 -2.518679 -0.645464
C 4.457773 2.476944 -2.383342
C 6.524063 1.480261 0.333306
H -4.219125 -1.337116 0.608422
H -4.552460 1.430455 -0.686223
H -2.106214 -1.479304 -0.737258
H -2.372074 0.180495 -1.353160
H -4.389258 2.299768 1.664406
H -4.148679 0.646746 2.278068
H -4.645065 -0.545815 -2.343052
H -4.427838 -2.209701 -1.722660
H -6.370290 -0.089250 1.288877
H -6.653826 1.557809 0.629375
H -1.900975 -0.639353 1.581848
H -1.933138 1.812079 2.073587
H -2.254031 2.179426 0.358229
H -6.517434 -2.055820 -0.394623
H -6.862445 -1.633276 -2.104835
H -8.808032 -0.329600 -1.610245
H -8.699625 -0.671334 0.153385
H -8.716480 1.025166 -0.446899
H 1.468222 1.641783 -0.384211
H 2.583968 -2.389603 0.826712
H 5.520139 -2.938367 -1.500695
H 6.686982 -1.655542 -0.971958
H 6.724273 -3.297108 -0.203431
H 5.381105 1.874066 -2.452017
H 3.708336 2.104801 -3.107244
H 4.673892 3.537913 -2.580441
H 5.966416 2.428990 0.243574
H 7.564887 1.607157 -0.000844
H 6.500839 1.117768 1.376911


