%chk=000008682.chk
%nprocshared=24
%mem=100GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000008682

1 1
 S    2.840400      0.7449000      -1.817700    
 O    2.804200      -2.504500      0.9119000    
 O   -2.347400       1.218800       2.079000    
 N   0.9161000       1.314000     -0.3335000    
 N   -3.359200     -0.3600000      0.7349000    
 N   -2.551200     -0.8404000      -1.432400    
 C    1.770100      0.6210000      0.4848000    
 C  -0.3587000       1.849600      0.1190000    
 C    2.904900      0.2220000     -0.1803000    
 C    4.072000     -0.5382000      0.3092000    
 C   -1.432900      0.8317000     -8.3200000E-02
 C    1.312800       1.474200      -1.571300    
 C    1.385100      0.4042000       1.887100    
 C    3.921500      -2.060400      0.1529000    
 C   -2.406800      0.6004000       1.020700    
 C   -1.583200      0.1037000      -1.201000    
 C   -3.394000      -1.034800     -0.4669000    
 C   -4.493800      -2.046200     -0.6133000    
 H  -0.2805000       2.191900       1.154400    
 H  -0.6015000       2.750100     -0.4613000    
 H    4.234000     -0.3047000       1.368900    
 H    4.984000     -0.2213000     -0.2120000    
 H   0.7607000       2.004100      -2.335500    
 H    1.301600       1.352400       2.427100    
 H   0.4391000     -0.1389000       1.965200    
 H    2.131500     -0.1899000       2.423000    
 H    4.816900      -2.578100      0.5108000    
 H    3.755200      -2.338100     -0.8927000    
 H  -0.9224000      0.2381000      -2.047900    
 H   -4.053700     -0.5657000       1.447300    
 H   -5.127700      -2.093300      0.2757000    
 H   -4.052400      -3.031500     -0.7902000    
 H   -5.109800      -1.782800      -1.478100    
 H    2.997100      -2.323800       1.847700    


%chk=000008682-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000008682

1 1
S 2.656801 -0.189098 -1.940520
O 3.414383 -1.803793 2.128289
O -0.961099 -0.896538 1.341750
N 0.881668 0.899881 -0.415430
N -3.006196 -1.137935 0.205069
N -3.786122 0.429054 -1.410825
C 1.946228 0.605149 0.484665
C -0.397815 1.598503 -0.006674
C 3.022289 0.020178 -0.170488
C 4.343325 -0.451951 0.372799
C -1.626637 0.773530 -0.292573
C 1.091151 0.541600 -1.696749
C 1.824598 0.893271 1.950581
C 4.298995 -1.878419 0.963830
C -1.789107 -0.453716 0.487680
C -2.624486 1.153470 -1.183526
C -3.955563 -0.701680 -0.710802
C -5.194434 -1.533630 -0.894011
H -0.309233 1.794136 1.072609
H -0.433535 2.564330 -0.539169
H 4.673882 0.237332 1.170757
H 5.115998 -0.420448 -0.416589
H 0.363579 0.688457 -2.490889
H 0.928358 0.385166 2.350532
H 2.689198 0.471161 2.481269
H 1.761653 1.977188 2.158794
H 5.328722 -2.169117 1.254046
H 3.920193 -2.600744 0.211053
H -2.544649 2.083567 -1.760770
H -3.168999 -1.999003 0.741931
H -4.948064 -2.568103 -1.196226
H -5.818684 -1.074510 -1.672437
H -5.781598 -1.588392 0.041613
H 3.357201 -2.680398 2.582710


