%chk=000027592.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027592

0 1
 S    4.195900      0.3660000     -0.1296000    
 O    4.993100     -0.8457000     -2.9000000E-03
 O    4.413200       1.259200      -1.259400    
 N   -1.540800      -1.191500      2.0700000E-02
 C    2.511500     -9.1300003E-02 -8.5699998E-02
 C  -0.1819000     -0.8232000     -1.5500000E-02
 C    2.126800      -1.276400      0.5415000    
 C    1.550400      0.7282000     -0.6779000    
 C   0.7811000      -1.642000      0.5765000    
 C   0.2048000      0.3625000     -0.6427000    
 C   -2.734100     -0.4399000      3.8100000E-02
 C    4.430100       1.331000       1.346000    
 C   -3.895200     -0.9607000     -0.5334000    
 C   -2.753100      0.8248000      0.6263000    
 C   -5.075000     -0.2170000     -0.5167000    
 C   -3.933000       1.568500      0.6431000    
 C   -5.093900       1.047500      7.1500003E-02
 H    2.857000      -1.926100       1.015600    
 H    1.827800       1.656100      -1.170100    
 H   0.4937000      -2.566700       1.070700    
 H  -0.5190000       1.009800      -1.130400    
 H   -1.691600      -2.196400      3.7099998E-02
 H    4.199000      0.7123000       2.215200    
 H    5.474800       1.647400       1.381700    
 H    3.777400       2.205100       1.306500    
 H   -3.892800      -1.944500     -0.9957000    
 H   -1.870100       1.246400       1.098700    
 H   -5.979000     -0.6224000     -0.9616000    
 H   -3.949500       2.551000       1.105500    
 H   -6.012900       1.626100      8.5699998E-02


%chk=000027592-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000027592

0 1
S 4.290920 0.391806 -0.188996
O 5.134671 -1.013057 -0.224373
O 4.432095 1.536851 -1.352725
N -1.583932 -1.167371 0.156106
C 2.468769 -0.050344 -0.042641
C -0.246021 -0.747189 0.094232
C 2.125365 -1.321312 0.451920
C 1.509956 0.865204 -0.509077
C 0.764129 -1.661832 0.525982
C 0.147790 0.517722 -0.438783
C -2.777544 -0.403019 0.056563
C 4.736329 1.247591 1.468047
C -3.949533 -1.052641 -0.420780
C -2.862328 0.952891 0.476132
C -5.175467 -0.359966 -0.484521
C -4.091842 1.640244 0.393316
C -5.254764 0.995436 -0.087563
H 2.908440 -2.028271 0.746030
H 1.828437 1.811163 -0.960476
H 0.472570 -2.643450 0.918667
H -0.602592 1.202535 -0.840473
H -1.721831 -2.174310 0.261638
H 4.549622 0.517622 2.267403
H 5.802214 1.498684 1.375013
H 4.104237 2.142455 1.547883
H -3.892081 -2.096888 -0.752669
H -1.988353 1.454945 0.900506
H -6.067321 -0.876990 -0.855391
H -4.142207 2.683792 0.723815
H -6.205027 1.535799 -0.145984


