%chk=000044653.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044653

0 1
 O    1.356100     -0.7730000      0.4685000    
 O   -1.896500     -0.4967000     -0.4760000    
 O    2.010200      -2.848900     -0.2813000    
 O   -3.536900     -0.3552000       1.133100    
 N    2.985100      -1.875100       1.559500    
 N   -3.623900      -1.947900     -0.5229000    
 C   6.9600001E-02  0.9237000     -0.6744000    
 C   0.8378000       2.127500     -7.9099998E-02
 C   0.9202000     -0.3587000     -0.8291000    
 C   -1.215000      0.6021000      0.1152000    
 C   1.7800000E-02   3.413500      5.5000000E-02
 C    2.160600     -0.1710000      -1.696200    
 C   0.8700000       4.557300      0.5857000    
 C    2.104000      -1.914300      0.5073000    
 C   -3.059000     -0.8832000      0.1346000    
 H  -0.2459000       1.205800      -1.689200    
 H    1.228500       1.853600      0.9091000    
 H    1.708300       2.341800     -0.7104000    
 H   0.3064000      -1.152100      -1.273300    
 H  -0.9707000      0.3651000       1.157800    
 H   -1.890300       1.464100      0.1002000    
 H  -0.4007000       3.692000     -0.9186000    
 H  -0.8188000       3.266400      0.7455000    
 H    2.611700      -1.126800      -1.980600    
 H    1.908300      0.3478000      -2.626800    
 H    2.937600      0.3996000      -1.176000    
 H   0.2677000       5.466500      0.6788000    
 H    1.278400       4.317600       1.572600    
 H    1.704600       4.771200     -8.9599997E-02
 H    3.025500      -1.077400       2.185000    
 H    3.623500      -2.641800       1.743100    
 H   -4.492700      -2.364600     -0.2055000    
 H   -3.189500      -2.351000      -1.346300    


%chk=000044653-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000044653

0 1
O 1.640106 -0.622519 0.384249
O -1.766736 -0.543313 -0.450111
O 1.766956 -2.871611 -0.335115
O -3.357624 -0.558206 1.291777
N 2.480883 -2.193016 1.794755
N -3.433328 -2.087453 -0.491203
C 0.121754 0.976691 -0.662095
C 0.869608 2.199216 -0.062250
C 1.048550 -0.232523 -0.940841
C -1.052422 0.563345 0.239778
C 0.014536 3.483346 0.064220
C 2.182440 0.023171 -1.941631
C 0.863522 4.710150 0.462894
C 1.949167 -1.986232 0.538611
C -2.904960 -1.030940 0.219339
H -0.298753 1.271260 -1.646887
H 1.283593 1.923727 0.927598
H 1.739544 2.430565 -0.707439
H 0.437135 -1.086959 -1.281722
H -0.697213 0.202819 1.221936
H -1.764173 1.390294 0.400477
H -0.492842 3.682763 -0.902332
H -0.787181 3.341898 0.814889
H 2.714624 -0.919570 -2.153180
H 1.770041 0.406891 -2.893303
H 2.910142 0.757574 -1.555908
H 0.240511 5.617750 0.562135
H 1.372185 4.542099 1.430981
H 1.643769 4.915124 -0.294271
H 2.586296 -1.418923 2.445580
H 2.749329 -3.136128 2.059665
H -4.263654 -2.548672 -0.131448
H -2.973806 -2.424719 -1.333448


