%chk=000049231.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049231

0 1
 S   -1.539200     -0.6282000       1.017100    
 O   0.7237000      -2.457100     -0.4298000    
 O   0.2155000       2.152100      0.3102000    
 O    4.128500      1.6799999E-02   1.398900    
 N    2.458400      -1.200600      0.3918000    
 N    2.204200       1.101700      0.7621000    
 C   0.5598000     -4.7800001E-02 -0.6501000    
 C  -0.9666000     -0.2167000     -0.6466000    
 C    1.036800      0.2355000      -2.085800    
 C    1.217900      -1.351600     -0.2098000    
 C   0.9404000       1.164200      0.1943000    
 C   -3.310300     -0.7510000      0.6714000    
 C   0.4593000       1.534400      -2.601400    
 C   -3.894600      0.5860000      0.1920000    
 C    3.015400     -2.1400001E-02  0.8718000    
 C   -3.529700      -1.844200     -0.3719000    
 C   -3.719500       1.728000       1.185800    
 H   -1.237600      -1.007600      -1.350800    
 H   -1.458100      0.7064000     -0.9503000    
 H   0.7479000     -0.5851000      -2.755000    
 H    2.132200      0.2939000      -2.129100    
 H   -3.801200      -1.048900       1.604700    
 H  -0.6319000       1.549300      -2.638300    
 H   0.8175000       2.413500      -2.060100    
 H   0.7923000       1.673100      -3.637600    
 H   -3.519500      0.8854000     -0.7917000    
 H   -4.974400      0.4418000      4.9100000E-02
 H    2.982200      -2.052500      0.5722000    
 H    2.540800       1.946800       1.215100    
 H   -4.596000      -2.099700     -0.4042000    
 H   -2.993100      -2.767900     -0.1280000    
 H   -3.268700      -1.534100      -1.388100    
 H   -2.676400       2.046800       1.265100    
 H   -4.300200       2.596900      0.8585000    
 H   -4.075600       1.443200       2.181000    


%chk=000049231-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049231

0 1
S -1.497606 -1.380424 0.574355
O 1.632624 -2.350044 -0.708032
O -0.424436 2.044313 -0.380597
O 3.083418 0.796961 2.388820
N 2.339736 -0.747507 0.799045
N 1.376851 1.407555 0.912869
C 0.584299 -0.137555 -0.903728
C -0.815177 -0.773576 -1.091534
C 1.239499 0.199260 -2.312528
C 1.529946 -1.177917 -0.265806
C 0.440778 1.170340 -0.109188
C -3.315055 -0.741814 0.529536
C 0.382485 1.061420 -3.259970
C -3.411841 0.790353 0.685219
C 2.321760 0.506003 1.434498
C -4.055166 -1.281379 -0.707833
C -2.943379 1.309900 2.058752
H -0.744396 -1.633310 -1.775099
H -1.506171 -0.015466 -1.488883
H 1.462771 -0.775902 -2.785062
H 2.212042 0.698694 -2.129925
H -3.713808 -1.230893 1.440176
H -0.532649 0.532177 -3.578262
H 0.081309 2.013936 -2.793290
H 0.966684 1.289666 -4.169883
H -2.831583 1.288181 -0.115489
H -4.474212 1.071982 0.524975
H 2.996702 -1.432008 1.188137
H 1.315420 2.310455 1.395226
H -5.131156 -1.028947 -0.641926
H -3.957135 -2.377568 -0.786949
H -3.668755 -0.830563 -1.640499
H -1.892350 1.022767 2.241336
H -3.012033 2.411325 2.106628
H -3.559215 0.890989 2.877410


