%chk=000052253.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052253

0 1
 O  -0.8807000       1.471500     -0.1550000    
 O   -2.625100       2.942300      0.1503000    
 N    1.756500       1.050200      0.7316000    
 N   -5.496800      -2.811000     -0.1296000    
 C    2.821600      0.1309000      0.3173000    
 C    2.607600     -0.2788000      -1.171800    
 C    2.747500      -1.169600       1.174200    
 C    3.195300      -1.619100      -1.675600    
 C    4.173200      0.8355000      0.5078000    
 C    1.467300       2.005700     -0.3242000    
 C    2.843500     -0.9922000       2.695500    
 C    2.803300      -1.818100      -3.145900    
 C    4.714000      -1.722800      -1.545100    
 C   4.9400002E-02   2.547500     -0.1390000    
 C    2.508500       3.125300     -0.3185000    
 C    2.694800      -2.326600       3.414000    
 C   -2.189800       1.811000      6.9999998E-04
 C   -3.053600      0.6038000     -3.2699998E-02
 C   -4.435400      0.7306000      0.1107000    
 C   -2.483300     -0.6570000     -0.2080000    
 C   -5.246800     -0.4034000      7.9000004E-02
 C   -3.294800      -1.791100     -0.2397000    
 C   -4.676400      -1.664300     -9.6199997E-02
 H    2.986000      0.5012000      -1.846400    
 H    1.527000     -0.3922000      -1.350200    
 H    1.796200      -1.676400      0.9568000    
 H    3.539600      -1.870800      0.9020000    
 H    2.742700      -2.450700      -1.122800    
 H    1.977000       1.514700       1.610500    
 H    4.529200       1.355100     -0.3838000    
 H    4.957300      0.1060000      0.7426000    
 H    4.174600       1.531900       1.354400    
 H    1.406600       1.612500      -1.339100    
 H    3.807200     -0.5458000       2.963800    
 H    2.058900     -0.3170000       3.053300    
 H    3.230200      -1.034800      -3.781500    
 H    3.159200      -2.785500      -3.516500    
 H    1.714900      -1.798500      -3.266900    
 H    5.078000      -2.643200      -2.015800    
 H    5.057000      -1.747400     -0.5105000    
 H    5.206900     -0.8805000      -2.042800    
 H  -0.1940000       3.245700     -0.9498000    
 H  -3.1700000E-02   3.084200      0.8154000    
 H    2.820700       3.411000      0.6920000    
 H    2.084900       4.030700     -0.7713000    
 H    3.384800       2.890400     -0.9235000    
 H    1.724900      -2.784600       3.195400    
 H    3.481700      -3.025100       3.112000    
 H    2.766000      -2.183000       4.496700    
 H   -4.899000       1.703800      0.2481000    
 H   -1.412800     -0.8019000     -0.3235000    
 H   -6.322100     -0.2917000      0.1916000    
 H   -2.838900      -2.768400     -0.3770000    
 H   -5.083500      -3.725600     -0.2545000    
 H   -6.498400      -2.720100     -2.3600001E-02


%chk=000052253-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000052253

0 1
O -0.728024 2.096678 -0.587127
O -1.313482 1.805813 1.665248
N 1.777243 1.358660 0.628179
N -4.510257 -3.037853 -1.283195
C 2.599112 0.159159 0.280743
C 2.030332 -0.420861 -1.068067
C 2.377505 -0.875237 1.428713
C 2.230346 -1.922654 -1.424883
C 4.113728 0.515574 0.140249
C 1.695007 2.543386 -0.236055
C 2.770811 -0.433487 2.859739
C 1.389128 -2.241410 -2.688106
C 3.701630 -2.345651 -1.658674
C 0.255778 3.124543 -0.198691
C 2.679964 3.692299 0.128428
C 2.585416 -1.580627 3.878624
C -1.383584 1.430736 0.465535
C -2.185258 0.285821 -0.025258
C -2.960952 -0.452507 0.909377
C -2.203287 -0.109631 -1.390368
C -3.730792 -1.550979 0.501225
C -2.970389 -1.206917 -1.810908
C -3.749111 -1.948468 -0.870757
H 2.429927 0.177160 -1.915726
H 0.940133 -0.231174 -1.033072
H 1.305186 -1.157353 1.427677
H 2.954222 -1.789825 1.188527
H 1.822609 -2.536463 -0.596132
H 1.774241 1.584904 1.627460
H 4.272068 1.190251 -0.721821
H 4.738447 -0.380174 -0.022062
H 4.483829 1.031609 1.045200
H 1.895917 2.218663 -1.273656
H 3.824832 -0.093928 2.879986
H 2.151414 0.424792 3.189460
H 1.748065 -1.655272 -3.557027
H 1.458753 -3.313437 -2.952721
H 0.322646 -1.995123 -2.528555
H 3.749028 -3.380933 -2.046742
H 4.301034 -2.312240 -0.731834
H 4.188251 -1.683910 -2.401356
H 0.140147 3.937203 -0.936570
H 0.010941 3.492346 0.815389
H 2.498021 4.043804 1.162705
H 2.564289 4.560649 -0.549204
H 3.724356 3.344328 0.067640
H 1.533587 -1.922292 3.898970
H 3.216237 -2.450826 3.614820
H 2.857759 -1.261695 4.901554
H -2.941768 -0.141632 1.959400
H -1.609627 0.458401 -2.112327
H -4.324195 -2.110154 1.234941
H -2.976165 -1.499830 -2.868057
H -4.527825 -3.322790 -2.258234
H -5.066323 -3.567145 -0.617709


