%chk=000132448.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000132448

0 1
 S    2.281300     -0.4589000      -1.236500    
 O   -2.735700       1.866300     -0.3880000    
 O   -4.308300      -2.437000      0.1684000    
 O   0.1134000       2.653600       1.182400    
 O    1.363600       2.554600     -0.7300000    
 N   -1.131300      0.3663000      0.4763000    
 N    5.549900      -1.328700      0.9964000    
 C   -1.382900      -1.084100      0.3291000    
 C   -2.748200     -0.6884000     -0.2959000    
 C  -0.1848000      -1.597500     -0.4774000    
 C   -2.304200      0.7763000     -8.5699998E-02
 C   0.1170000      0.6722000      1.3300000E-02
 C   0.7243000     -0.3952000     -0.5199000    
 C   -4.000900      -1.078900      0.4512000    
 C   0.6117000       2.043200      8.4600002E-02
 C    3.285700     -0.8561000      0.2135000    
 C    4.749300      -1.007800     -0.1814000    
 H   -1.459400      -1.566700       1.312700    
 H   -2.824700     -0.9258000      -1.365900    
 H  -0.4814000      -1.910300      -1.484000    
 H   0.2941000      -2.438100      3.5599999E-02
 H   -4.848800     -0.4692000      0.1222000    
 H   -3.887200     -0.9593000       1.533700    
 H   -5.121900      -2.652800      0.6551000    
 H    3.172300     -5.7000000E-02  0.9550000    
 H    2.914700      -1.785900      0.6599000    
 H    4.876000      -1.808300     -0.9189000    
 H    5.134100     -8.2300000E-02 -0.6241000    
 H   0.4261000       3.580000       1.262300    
 H    5.199400      -2.184100       1.426100    
 H    5.436800     -0.5970000       1.697100    


%chk=000132448-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000132448

0 1
S 2.601904 0.559513 -0.082821
O -3.095157 1.368158 -1.431524
O -3.597742 -2.777101 0.805825
O -0.911248 3.625472 0.090359
O 1.365928 3.273101 -0.291731
N -1.412947 0.857475 0.285355
N 5.374451 -2.550312 0.279906
C -1.320270 -0.603761 0.670937
C -2.564273 -0.885353 -0.239419
C 0.124660 -1.004943 0.263355
C -2.494617 0.631184 -0.633318
C -0.091149 1.391615 0.103136
C 0.830661 0.353817 0.117664
C -3.838769 -1.368866 0.439705
C 0.216121 2.809920 -0.054370
C 3.237140 -1.213420 0.271470
C 4.769349 -1.239033 0.027528
H -1.506096 -0.769732 1.744348
H -2.339581 -1.532608 -1.105508
H 0.163274 -1.553793 -0.699885
H 0.595548 -1.647599 1.025230
H -4.690361 -1.275808 -0.265184
H -4.053163 -0.754860 1.340173
H -4.414480 -3.157031 1.217042
H 3.005377 -1.465409 1.320987
H 2.725659 -1.918270 -0.405945
H 4.980601 -0.941203 -1.016236
H 5.260364 -0.489333 0.675446
H -0.640964 4.570626 -0.062733
H 5.136439 -3.295407 -0.376957
H 5.413340 -2.853939 1.254367


