%chk=000051980.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051980

0 1
 O   -4.569800       1.225600      4.3900002E-02
 N    4.838300       2.139800     -0.3440000    
 N   0.5365000      -3.571300     -0.9174000    
 C   0.4271000      -1.349500      0.5279000    
 C  -0.9314000     -0.6498000      0.3967000    
 C    1.582800     -0.4350000      0.2996000    
 C   -1.762900     -0.6218000       1.490400    
 C   -1.259800     -7.9300001E-02 -0.8096000    
 C    2.110100      0.3014000       1.360500    
 C    2.136500     -0.3162000     -0.9751000    
 C   -2.998100      1.5100000E-02   1.370500    
 C   -2.494900      0.5578000     -0.9294000    
 C    3.191000       1.156900       1.146600    
 C    3.217400      0.5391000      -1.189000    
 C   -3.364200      0.6049000      0.1605000    
 C    3.744600       1.275700     -0.1282000    
 C   0.4777000      -2.601100     -0.2831000    
 C   -4.880800       1.807600      -1.221000    
 H   0.5157000      -1.706200       1.566100    
 H   -1.488000      -1.077300       2.436400    
 H  -0.6058000     -0.1163000      -1.673700    
 H    1.688000      0.2208000       2.358800    
 H    1.746000     -0.8678000      -1.825500    
 H   -3.671000      4.8700001E-02   2.223100    
 H   -2.717300      0.9922000      -1.898100    
 H    3.592600       1.725800       1.981200    
 H    3.639200      0.6246000      -2.187200    
 H    5.239100       2.228000      -1.268300    
 H    5.219500       2.675400      0.4246000    
 H   -4.185200       2.614800      -1.474500    
 H   -5.875100       2.258000      -1.134000    
 H   -4.941300       1.049200      -2.008900    


%chk=000051980-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000051980

0 1
O -4.701710 1.171583 0.226782
N 4.963298 2.146731 -0.338321
N 0.460065 -3.552580 -1.201147
C 0.456920 -1.431010 0.427809
C -0.907478 -0.716071 0.346408
C 1.659267 -0.497748 0.177079
C -1.854821 -0.857412 1.390979
C -1.243670 0.080489 -0.771507
C 1.780919 0.680371 0.957688
C 2.666414 -0.772345 -0.777812
C -3.106348 -0.216864 1.325583
C -2.495242 0.726770 -0.857227
C 2.867990 1.556433 0.795165
C 3.760290 0.098927 -0.954906
C -3.431396 0.577110 0.198043
C 3.882215 1.279823 -0.169490
C 0.466740 -2.604468 -0.476549
C -5.091851 1.991169 -0.923421
H 0.546836 -1.840944 1.456330
H -1.614934 -1.476156 2.264553
H -0.516877 0.205517 -1.582354
H 1.005921 0.921836 1.695448
H 2.602007 -1.676880 -1.393737
H -3.843728 -0.317954 2.127425
H -2.726605 1.335264 -1.736477
H 2.937908 2.461128 1.411772
H 4.526496 -0.136915 -1.703594
H 5.687583 1.948510 -1.021950
H 5.049845 2.987910 0.223865
H -4.413753 2.857718 -1.049212
H -6.106794 2.345550 -0.691448
H -5.109006 1.394305 -1.855975


