%chk=000053323.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053323

0 1
 O   -4.594100      1.0000000E-03   1.964900    
 O   -2.434000      9.9999997E-05   2.355900    
 N  -0.7360000      6.9999998E-04  0.5372000    
 N    3.395600     -1.0000000E-03 -0.1691000    
 N   -3.406300      6.9999998E-04   1.565200    
 C   0.6651000      1.9999999E-04  0.2976000    
 C    1.348900       1.214600      0.1808000    
 C    1.347800      -1.214700      0.1809000    
 C    2.733100       1.166400     -5.5799998E-02
 C    2.732100      -1.167900     -5.5700000E-02
 C   -1.840100      3.0000001E-04 -0.3252000    
 C   0.6882000       2.450200      0.2940000    
 C   0.6859000      -2.449800      0.2941000    
 C    3.419600       2.372100     -0.1731000    
 C    3.417500      -2.374200     -0.1729000    
 C   -3.152800      6.0000003E-04  0.1648000    
 C    1.397600       3.641300      0.1729000    
 C    1.394200      -3.641700      0.1729000    
 C    2.766100       3.601800     -6.1099999E-02
 C    2.762800      -3.603300     -6.1200000E-02
 C   -1.629300      3.9999999E-04  -1.710200    
 C   -4.235300      8.9999998E-04 -0.7149000    
 C   -2.711800      5.0000002E-04  -2.589900    
 C   -4.014800      6.9999998E-04  -2.092200    
 H  -0.9327000     -0.1230000       1.522600    
 H  -0.3803000       2.517100      0.4820000    
 H  -0.3826000      -2.516100      0.4818000    
 H    4.492600       2.367600     -0.3565000    
 H    4.490500      -2.370600     -0.3564000    
 H   0.8853000       4.594300      0.2620000    
 H   0.8810000      -4.594200      0.2619000    
 H    3.329200       4.525500     -0.1569000    
 H    3.325200      -4.527500     -0.1570000    
 H  -0.6267000      3.0000001E-04  -2.130200    
 H   -5.265400      1.2000001E-03 -0.3679000    
 H   -2.540400      5.0000002E-04  -3.662300    
 H   -4.857300      8.9999998E-04  -2.777700    


%chk=000053323-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000053323

0 1
O -4.805904 -0.612952 1.812812
O -2.613745 -1.076001 2.216771
N -0.790189 -0.301497 0.526535
N 3.447592 -0.061301 -0.222244
N -3.570581 -0.601532 1.441176
C 0.603193 -0.192687 0.244768
C 1.232726 1.067168 0.002788
C 1.397412 -1.379998 0.290031
C 2.672981 1.068293 -0.252016
C 2.834294 -1.253603 0.060159
C -1.844458 0.062654 -0.297882
C 0.539988 2.328306 0.042056
C 0.847893 -2.687268 0.534400
C 3.331413 2.319914 -0.523650
C 3.655000 -2.434371 0.115737
C -3.217772 -0.064761 0.133803
C 1.216067 3.518931 -0.207761
C 1.674912 -3.806714 0.579701
C 2.622236 3.515725 -0.508829
C 3.092140 -3.679749 0.374936
C -1.629275 0.556278 -1.625517
C -4.295252 0.317612 -0.711820
C -2.700543 0.919214 -2.448631
C -4.046683 0.812371 -1.995478
H -1.103590 -0.773754 1.398252
H -0.526243 2.347477 0.285238
H -0.231847 -2.800741 0.676891
H 4.406238 2.281256 -0.724543
H 4.727714 -2.303214 -0.054943
H 0.676230 4.471105 -0.166049
H 1.244028 -4.796028 0.767532
H 3.133248 4.463366 -0.710269
H 3.724829 -4.572886 0.417225
H -0.604009 0.635523 -1.995121
H -5.310887 0.203568 -0.324224
H -2.494005 1.284941 -3.460276
H -4.876750 1.101252 -2.646257


