%chk=000128446.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128446

1 1
 O    3.949300       1.320000      -1.227000    
 N   -1.913500       1.459100     -0.1057000    
 C  -0.4466000     -0.7436000     -0.3742000    
 C   -1.242500      0.4252000      -1.034800    
 C   -1.271500      -1.458700      0.7362000    
 C   -2.930200      0.8848000      0.8994000    
 C   -2.765100      -1.653800      0.4588000    
 C   -3.617000     -0.3806000      0.4038000    
 C  -0.2064000      -1.793200      -1.502700    
 C   0.9732000     -0.3314000      9.4499998E-02
 C   -2.666900       2.444500      -1.028100    
 C  -0.8780000       2.280700      0.6602000    
 C   0.5312000      -2.997600     -0.9669000    
 C    1.828400      0.3162000     -0.7893000    
 C    1.376900     -0.6152000       1.393700    
 C    3.105700      0.6855000     -0.3676000    
 C    2.654400     -0.2461000       1.815200    
 C    3.518700      0.4043000      0.9346000    
 H  -0.6086000       1.003600      -1.716800    
 H   -2.045700      2.0800000E-02  -1.663500    
 H   -1.211800     -0.8881000       1.668700    
 H  -0.8505000      -2.427300       1.019800    
 H   -3.678500       1.666900       1.077400    
 H   -2.427700      0.7303000       1.859300    
 H   -3.164800      -2.282700       1.266100    
 H   -2.915900      -2.235700     -0.4573000    
 H   -4.008000     -0.2383000     -0.6104000    
 H   -4.506200     -0.5501000       1.025400    
 H   0.3620000      -1.363900      -2.337000    
 H   -1.156500      -2.126600      -1.937600    
 H   -1.947400       2.881200      -1.727500    
 H   -3.441200       1.891600      -1.567000    
 H   -3.115000       3.229700     -0.4116000    
 H  -0.1500000       2.678700     -5.2099999E-02
 H   -1.396700       3.099100       1.169500    
 H  -0.3964000       1.642800       1.402300    
 H    1.443100      -2.775400     -0.4096000    
 H  -0.1037000      -3.658300     -0.3707000    
 H   0.8485000      -3.610900      -1.820200    
 H    1.527600      0.5385000      -1.808600    
 H   0.7649000      -1.135300       2.119800    
 H    2.978800     -0.4691000       2.827600    
 H    4.512900      0.6883000       1.268500    
 H    3.501500       1.434700      -2.082800    


%chk=000128446-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128446

1 1
O 4.006223 1.328587 -1.106284
N -1.891333 1.474600 -0.139727
C -0.485374 -0.824591 -0.328372
C -1.262980 0.345954 -1.007782
C -1.352286 -1.525063 0.768227
C -2.867438 0.935946 0.945937
C -2.860125 -1.643020 0.443623
C -3.671136 -0.302748 0.528420
C -0.261203 -1.841643 -1.524503
C 0.900832 -0.360665 0.195560
C -2.679213 2.376006 -1.093269
C -0.821847 2.322477 0.546696
C 0.684910 -3.020264 -1.218609
C 1.800114 0.283568 -0.700124
C 1.331626 -0.589438 1.525566
C 3.081528 0.698806 -0.267821
C 2.615144 -0.162881 1.951863
C 3.493470 0.489968 1.071171
H -0.600865 0.876879 -1.713354
H -2.108637 -0.067806 -1.583666
H -1.237722 -1.017573 1.742489
H -0.945675 -2.539575 0.927209
H -3.538779 1.780600 1.181243
H -2.257970 0.733767 1.839383
H -3.300641 -2.363551 1.155268
H -2.998653 -2.096158 -0.555445
H -4.213900 -0.107345 -0.416265
H -4.464140 -0.402922 1.293348
H 0.139618 -1.288670 -2.398060
H -1.247801 -2.237896 -1.837521
H -2.024353 2.690229 -1.920205
H -3.540932 1.820863 -1.492698
H -3.028827 3.261758 -0.540944
H -0.197858 2.808700 -0.218539
H -1.324005 3.084491 1.163636
H -0.189703 1.676043 1.170149
H 1.698777 -2.672605 -0.958433
H 0.318602 -3.651143 -0.389538
H 0.767371 -3.669338 -2.108018
H 1.526902 0.434298 -1.754307
H 0.700764 -1.123436 2.240158
H 2.932798 -0.354212 2.982057
H 4.489080 0.819356 1.380113
H 3.700439 1.364246 -2.046833


