%chk=000048447.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048447

0 1
 O   0.3727000      -2.340400     -0.5595000    
 O   0.2596000       2.282400      0.2570000    
 O    4.056300     -0.1566000       1.089100    
 N    2.242700      -1.230000      0.1705000    
 N    2.185900       1.079100      0.5790000    
 C   -1.152600      2.3499999E-02 -0.6524000    
 C   0.3793000      7.7399999E-02 -0.7448000    
 C   -1.572400     -0.3565000      0.7818000    
 C   -3.089800     -0.3915000       1.053800    
 C   -1.742400       1.361400      -1.099600    
 C   0.7918000      0.3452000      -2.203300    
 C   0.9614000      -1.278500     -0.3579000    
 C   0.8995000       1.244800      8.8000000E-02
 C   -3.769600      0.9440000      0.7503000    
 C   -3.737200      -1.500900      0.2192000    
 C    2.914600     -0.1032000      0.6288000    
 H   -1.519200     -0.7516000      -1.338200    
 H   -1.171900      -1.336500       1.062900    
 H   -1.137400      0.3528000       1.497500    
 H   -3.234000     -0.6252000       2.116300    
 H   -2.690800       1.184000      -1.615400    
 H   -1.886300       2.106600     -0.3195000    
 H   -1.160100       1.858900      -1.879900    
 H   0.1736000     -0.2195000      -2.910700    
 H   0.7581000       1.404700      -2.478300    
 H    1.828400      3.0999999E-02  -2.381400    
 H   -4.721600      0.9535000       1.301000    
 H   -3.218600       1.798700       1.150400    
 H   -4.083100       1.083600     -0.2830000    
 H   -4.793100      -1.610500      0.4899000    
 H   -3.694700      -1.291900     -0.8543000    
 H   -3.248000      -2.463800      0.4005000    
 H    2.710000      -2.121400      0.3108000    
 H    2.611400       1.889600       1.020200    


%chk=000048447-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048447

0 1
O 0.633820 -2.260841 -1.302834
O 0.921092 2.528080 -0.455958
O 3.121838 -0.551941 2.226270
N 1.868386 -1.361702 0.426096
N 1.929076 0.951218 0.889180
C -1.104364 0.159744 -0.799223
C 0.484453 0.175284 -1.028189
C -1.425761 -0.026418 0.713080
C -2.888299 -0.413365 1.113865
C -1.811992 1.376077 -1.431046
C 0.834827 0.409549 -2.528624
C 0.986660 -1.235281 -0.664398
C 1.113287 1.309651 -0.204305
C -3.851275 0.791810 1.263895
C -3.490816 -1.507158 0.198979
C 2.357287 -0.335875 1.253799
H -1.425212 -0.753036 -1.339619
H -0.771712 -0.833172 1.104921
H -1.148051 0.898055 1.260634
H -2.796150 -0.856298 2.128835
H -2.904625 1.239711 -1.371490
H -1.548835 2.315732 -0.916678
H -1.560230 1.489941 -2.499087
H 0.262674 -0.292940 -3.156340
H 0.601535 1.446745 -2.813126
H 1.910547 0.237727 -2.713754
H -4.805550 0.463781 1.717639
H -3.417190 1.571335 1.917707
H -4.091579 1.261809 0.294587
H -4.447406 -1.874710 0.614099
H -3.699967 -1.119208 -0.815615
H -2.809655 -2.372789 0.096788
H 2.187316 -2.308737 0.656903
H 2.308371 1.720424 1.451808


