%chk=000051501.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051501

0 1
 O   5.9300002E-02  0.2347000     -0.3187000    
 O   0.7634000       2.271500      0.4906000    
 N   -3.598300      0.2016000     -0.9249000    
 N    6.146200      -1.184400      0.1462000    
 C   -2.249200     -0.3778000     -0.8901000    
 C   -3.996700      0.6429000      0.4001000    
 C   -1.283600      0.7018000     -0.3686000    
 C   -1.879800     -0.8146000      -2.314400    
 C   -2.251600      -1.602400      3.6699999E-02
 C   -3.954300     -0.5135000       1.411600    
 C   -5.404900       1.230700      0.3204000    
 C   -4.876500      -1.672000       1.053400    
 C   0.9849000       1.125400      0.1319000    
 C    2.340000      0.5187000      0.1342000    
 C    3.436100       1.333900     -6.1400000E-02
 C    2.461800     -0.8414000      0.3333000    
 C    4.709400      0.7642000     -5.7900000E-02
 C    3.735000      -1.411100      0.3368000    
 C    4.858700     -0.6083000      0.1411000    
 H   -3.390900       1.476200      0.7676000    
 H   -4.263000     -0.4665000      -1.310000    
 H   -1.514100       1.005300      0.6562000    
 H   -1.325300       1.589100      -1.014300    
 H  -0.8678000      -1.232700      -2.360100    
 H   -1.912500      3.3399999E-02  -3.008900    
 H   -2.570500      -1.578600      -2.690600    
 H   -3.042900      -2.331900     -0.1077000    
 H   -1.430700      -2.229000     -0.3658000    
 H   -1.807600      -1.498800       1.026800    
 H   -3.029100     -0.7148000       1.941700    
 H   -4.466100     -8.5100003E-02   2.294300    
 H   -5.747200       1.572200       1.303500    
 H   -6.138300      0.5115000     -6.0400002E-02
 H   -5.422100       2.099100     -0.3490000    
 H   -5.890100      -1.468200       1.422300    
 H   -4.989000      -1.890000     -1.0900000E-02
 H   -4.551400      -2.583600       1.567500    
 H    3.332200       2.403100     -0.2205000    
 H    1.603900      -1.485800      0.5011000    
 H    5.577400       1.400200     -0.2119000    
 H    3.838800      -2.481400      0.4961000    
 H    6.254800      -2.179900      0.2880000    
 H    6.961300     -0.6034000      2.0000001E-03


%chk=000051501-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000051501

0 1
O 0.201990 0.168070 -0.966915
O 0.482754 1.462334 0.966405
N -3.507651 -0.337196 -0.564291
N 6.539601 -0.569091 -0.276653
C -2.092854 -0.792743 -0.542942
C -4.098758 0.477996 0.522327
C -1.258384 0.454687 -0.960809
C -1.943174 -1.894859 -1.618451
C -1.602273 -1.338818 0.827256
C -4.831899 -0.355764 1.625587
C -5.028762 1.557775 -0.083729
C -6.034021 -1.183698 1.118295
C 0.975904 0.735430 0.063079
C 2.406478 0.375740 -0.058835
C 3.316398 0.870174 0.915580
C 2.907231 -0.441580 -1.108906
C 4.682032 0.561917 0.849930
C 4.272281 -0.756264 -1.184960
C 5.185634 -0.259609 -0.205053
H -3.261730 1.002931 1.023712
H -4.152976 -1.021491 -0.970387
H -1.447651 1.300461 -0.277146
H -1.510695 0.734052 -1.996562
H -0.878679 -2.146293 -1.762431
H -2.353583 -1.549978 -2.585927
H -2.478908 -2.814222 -1.314572
H -2.210777 -2.210309 1.129970
H -0.548151 -1.662186 0.757576
H -1.662151 -0.569752 1.617271
H -4.099601 -1.034006 2.102955
H -5.179636 0.342463 2.414322
H -5.497648 2.174416 0.706716
H -5.836708 1.098787 -0.683534
H -4.452267 2.217605 -0.754607
H -6.827206 -0.540213 0.696391
H -5.728925 -1.906248 0.336277
H -6.481696 -1.767929 1.942855
H 2.923077 1.499728 1.720835
H 2.210765 -0.819734 -1.862505
H 5.371107 0.951185 1.609241
H 4.645426 -1.386742 -2.001320
H 6.903459 -1.150607 -1.026187
H 7.192327 -0.216119 0.417442


