%chk=000025430.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025430

0 1
 O    2.101600     -0.1921000      0.4114000    
 O   -1.003000       1.226000     -0.3898000    
 O    3.359400     -0.6165000      -1.361100    
 O   -1.553000       2.763100       1.106600    
 O    4.268000      0.4943000      0.3454000    
 O   -1.719700       3.278000      -1.056500    
 N    3.357900     -8.8799998E-02 -0.2482000    
 N   -1.466400       2.540000     -0.1015000    
 C  -0.2373000     -0.9692000      0.4074000    
 C   -1.258300      -1.729000     -0.4908000    
 C    1.116000     -0.8790000     -0.3475000    
 C  -0.7381000      0.4495000      0.7702000    
 C   1.6400000E-02  -1.741900       1.717100    
 C   -2.657300      -1.915300      0.1085000    
 C   -3.586200      -2.619000     -0.8712000    
 H  -0.8500000      -2.719500     -0.7336000    
 H   -1.354800      -1.200100      -1.448300    
 H    1.462900      -1.898800     -0.5645000    
 H   0.9524000     -0.3548000      -1.298800    
 H   2.7000001E-02  0.9510000       1.378700    
 H   -1.646300      0.3670000       1.380700    
 H   0.7826000      -1.257600       2.332900    
 H   0.3510000      -2.765200       1.513200    
 H  -0.8881000      -1.803000       2.331200    
 H   -3.101200     -0.9479000      0.3627000    
 H   -2.605100      -2.507800       1.027500    
 H   -3.201600      -3.609800      -1.133600    
 H   -3.698300      -2.038100      -1.792200    
 H   -4.578500      -2.746500     -0.4274000    


%chk=000025430-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000025430

0 1
O 2.084903 -0.221753 0.455923
O -1.018101 1.148740 -0.390699
O 3.505623 -0.494494 -1.431970
O -1.554404 2.934044 1.087028
O 4.271528 0.529889 0.474992
O -1.714092 3.205023 -1.187480
N 3.420165 -0.047205 -0.247227
N -1.472939 2.574378 -0.127347
C -0.227937 -0.998972 0.434524
C -1.271146 -1.721230 -0.481196
C 1.069131 -0.884724 -0.408283
C -0.709728 0.409108 0.864866
C 0.042921 -1.808186 1.731490
C -2.698024 -1.866479 0.097209
C -3.620697 -2.647924 -0.864257
H -0.877169 -2.733230 -0.709328
H -1.341078 -1.179744 -1.445267
H 1.434578 -1.886770 -0.698045
H 0.907865 -0.271367 -1.311877
H 0.078003 0.946639 1.420603
H -1.620553 0.346595 1.485175
H 0.835859 -1.339896 2.339429
H 0.369962 -2.832591 1.475718
H -0.866826 -1.890101 2.351446
H -3.135438 -0.865623 0.278975
H -2.666992 -2.387588 1.073720
H -3.233764 -3.668048 -1.047102
H -3.698747 -2.136978 -1.841983
H -4.640900 -2.742515 -0.450539


