%chk=000027236.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027236

0 1
 S    3.529900      0.2666000      8.7499999E-02
 O   -1.549300      -2.539700      3.9099999E-02
 O    4.182000     -6.7400001E-02  -1.167500    
 O    4.280600      0.9119000       1.151400    
 O  -0.9265000     -0.6071000       1.936800    
 N   -4.051100       2.426100     -0.1087000    
 C    1.867000      -1.891300     -0.2314000    
 C    1.255300      -3.175700      0.3341000    
 C    2.795100      -1.192400      0.7524000    
 C   0.3277000      -3.840600     -0.6815000    
 C  -0.7976000      -2.908800      -1.108900    
 C    2.150800       1.300300     -0.3083000    
 C    1.580700       1.212800      -1.566200    
 C    1.668200       2.177100      0.6472000    
 C   -2.160100      -1.312900      1.0300000E-02
 C   0.4933000       2.028600      -1.878800    
 C   0.5806000       2.992700      0.3348000    
 C  -6.8000001E-03   2.918600     -0.9282000    
 C   -1.844000     -0.3506000      0.9630000    
 C   -3.097500      -1.046000     -0.9817000    
 C   -2.472900      0.8939000      0.9233000    
 C   -3.726700      0.1983000      -1.021300    
 C   -3.414300       1.168300     -6.8899997E-02
 C  -0.6644000      0.4376000       2.871700    
 H    2.403000      -2.118500      -1.160500    
 H    1.065300      -1.196300     -0.4826000    
 H   0.7147000      -2.957100       1.262300    
 H    2.056400      -3.877600      0.5952000    
 H    3.619000      -1.856000       1.036200    
 H    2.261000     -0.9099000       1.665500    
 H  -9.6699998E-02  -4.739800     -0.2191000    
 H   0.8964000      -4.160000      -1.562100    
 H  -0.4251000      -2.039800      -1.662800    
 H   -1.462500      -3.456900      -1.787500    
 H    1.951200      0.5239000      -2.318900    
 H    2.108300       2.244300       1.637300    
 H   3.3799998E-02   1.968800      -2.861000    
 H   0.1891000       3.684100       1.075300    
 H  -0.8549000       3.552200      -1.170700    
 H   -3.355900      -1.795300      -1.724500    
 H   -2.276600       1.684400       1.640300    
 H   -4.459600      0.3994000      -1.798400    
 H   -3.820000       3.133400      0.5763000    
 H   -4.730100       2.626600     -0.8309000    
 H   0.1215000      7.7200003E-02   3.543700    
 H  -0.2839000       1.341600       2.397700    
 H   -1.544200      0.6423000       3.491500    


%chk=000027236-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000027236

0 1
S 3.660414 0.140812 -0.795809
O -1.246334 -2.316241 0.331070
O 3.547901 -0.274358 -2.378378
O 5.053421 0.700890 -0.136486
O -1.435261 -0.381079 2.141330
N -4.405536 2.254176 -0.788648
C 1.947419 -2.128872 -0.414988
C 1.430460 -3.296172 0.463997
C 3.113975 -1.409764 0.253554
C 0.291327 -4.102948 -0.210880
C -0.844115 -3.223636 -0.754087
C 2.315416 1.439705 -0.448555
C 1.157390 1.435850 -1.243131
C 2.563212 2.373602 0.570298
C -2.053451 -1.216255 -0.017828
C 0.168055 2.408839 -0.969244
C 1.570060 3.350227 0.819801
C 0.376081 3.358709 0.059132
C -2.162905 -0.178319 0.960021
C -2.741341 -1.070004 -1.239539
C -2.951041 0.961635 0.699537
C -3.527800 0.074614 -1.507307
C -3.641752 1.103427 -0.539631
C -1.480192 0.680235 3.147399
H 2.264151 -2.494908 -1.409906
H 1.115145 -1.417479 -0.566494
H 1.050987 -2.883342 1.416391
H 2.261823 -3.987938 0.706115
H 4.046463 -1.997377 0.302993
H 2.873759 -0.974816 1.238054
H -0.120198 -4.818794 0.525345
H 0.688517 -4.697176 -1.058437
H -0.505152 -2.628088 -1.627821
H -1.705992 -3.846057 -1.072291
H 1.045831 0.714948 -2.059618
H 3.511354 2.349655 1.118687
H -0.759486 2.419001 -1.550641
H 1.733550 4.103423 1.598201
H -0.389797 4.116786 0.258068
H -2.681434 -1.856299 -1.998382
H -3.027339 1.758039 1.447103
H -4.054041 0.160001 -2.464888
H -4.563541 2.940896 -0.057798
H -4.951590 2.331904 -1.641188
H -0.842420 0.321480 3.968777
H -1.075063 1.631087 2.747276
H -2.510731 0.841281 3.521327


