%chk=000055282.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055282

0 1
 S  -0.1357000       1.433400     -0.6642000    
 O    1.222100      0.7920000     -8.0700003E-02
 O   -3.428800      0.2585000       1.054200    
 O  -0.4078000      0.8862000      -2.033600    
 O   -2.960700      0.7939000      -1.145100    
 N    6.301000      -1.302800     -0.7334000    
 N   -1.279900      0.9266000      0.4804000    
 C    3.580300      0.3874000     -0.1755000    
 C    4.875000      0.6431000     -0.9449000    
 C    2.388300       1.053300     -0.8485000    
 C    6.049800     -5.2000001E-02 -0.3059000    
 C    6.777000      0.6194000      0.6536000    
 C    7.854600     -4.9699999E-02   1.223500    
 C   -6.368600      -1.554400     -0.1526000    
 C   -4.741200     -9.9999998E-03  0.6515000    
 C    7.355800      -1.921300     -0.1567000    
 C   -5.059800      -1.286900      0.2488000    
 C    8.156200      -1.344500      0.8161000    
 C   -2.580800      0.6720000      1.8800000E-02
 C   -7.323400     -0.5377000     -0.1403000    
 C   -5.660600       1.013900      0.6748000    
 C  -0.8964000      0.7603000       1.881500    
 C   -6.969400      0.7465000      0.2734000    
 C   -6.747100      -2.927200     -0.5952000    
 H    3.667100      0.7532000      0.8559000    
 H    3.391300     -0.6906000     -8.7899998E-02
 H    4.770500      0.2814000      -1.975900    
 H    5.071300       1.720100      -1.017800    
 H    2.554000       2.136000     -0.9125000    
 H    2.268500      0.6523000      -1.862500    
 H    6.530900       1.628500      0.9645000    
 H    8.457900      0.4368000       1.984100    
 H   -4.306700      -2.069600      0.2425000    
 H    7.548800      -2.929300     -0.5089000    
 H    8.991200      -1.885100       1.246600    
 H   -8.345800     -0.7331000     -0.4526000    
 H   -5.384700       2.012900      0.9972000    
 H  -0.4816000     -0.2439000       2.007400    
 H  -0.1473000       1.509400       2.155000    
 H   -1.754400      0.8765000       2.548200    
 H   -7.712600       1.538400      0.2826000    
 H   -6.145700      -3.687000     -8.4600002E-02
 H   -7.796300      -3.141600     -0.3649000    
 H   -6.597200      -3.028400      -1.674700    


%chk=000055282-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000055282

0 1
S 0.223505 -1.550534 -3.543792
O 1.018392 0.165210 -3.598732
O -1.626367 -1.307524 0.009215
O 1.464191 -2.592888 -3.650378
O -2.086303 -0.439233 -2.162763
N 2.990311 -0.297110 1.179971
N -0.225178 -1.778552 -1.720308
C 2.479942 0.629399 -1.642871
C 3.873459 0.379095 -1.007075
C 2.415808 0.181535 -3.111042
C 3.835620 0.548310 0.502166
C 4.614313 1.521147 1.177836
C 4.523965 1.629482 2.584039
C -4.783475 0.553619 0.998535
C -2.753171 -0.771939 0.715027
C 2.912157 -0.182084 2.536158
C -3.725284 0.092507 0.169636
C 3.655659 0.761151 3.282477
C -1.382334 -1.105401 -1.361076
C -4.839794 0.137052 2.350714
C -2.801516 -1.191664 2.063377
C 0.658613 -2.559166 -0.851456
C -3.853499 -0.730156 2.878115
C -5.834791 1.485972 0.420269
H 2.205436 1.697396 -1.559737
H 1.737614 0.060979 -1.056952
H 4.180698 -0.662490 -1.230475
H 4.635246 1.050161 -1.445120
H 2.930229 0.881097 -3.796005
H 2.869458 -0.825746 -3.247244
H 5.277346 2.179564 0.606929
H 5.117730 2.376102 3.122277
H -3.664352 0.397787 -0.876705
H 2.226047 -0.875833 3.036201
H 3.552965 0.809764 4.370904
H -5.655552 0.490249 2.991761
H -2.025413 -1.862075 2.443657
H 0.081883 -3.348716 -0.340627
H 1.418580 -3.036181 -1.501610
H 1.169914 -1.922870 -0.106128
H -3.905293 -1.047815 3.925199
H -6.338944 1.028939 -0.451397
H -6.607614 1.735767 1.167114
H -5.381101 2.432591 0.071617


