%chk=000153335.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153335

0 1
 S   -6.668900      -2.564300      0.2877000    
 O   -4.433300      0.9595000      0.1568000    
 O    1.368300       3.498800      0.3311000    
 O  -0.2351000      0.8247000       2.403600    
 O  -0.6471000       3.070600      -1.817600    
 O    7.177700      -2.616100      1.6600000E-02
 O    5.418500      -2.475800      -2.131100    
 O   -8.029400      -2.595800     -0.6113000    
 O   -6.991800      -1.935600       1.555300    
 O   -6.099300      -3.899200      0.2623000    
 N   -5.611900      -1.534100     -0.5865000    
 C    3.384300       1.572500     -0.2794000    
 C    2.069400       1.193900      0.4060000    
 C    4.393700      0.4561000     -0.2036000    
 C    1.008800       2.305800      0.3421000    
 C  -0.4064000       1.956400      0.2943000    
 C  -0.9793000       1.223700       1.333700    
 C   -1.186800       2.354200     -0.7914000    
 C    4.445300     -0.5067000      -1.211600    
 C    5.275800      0.3851000      0.8746000    
 C   -3.112900       1.286400      0.2019000    
 C   -2.332600      0.8886000       1.287600    
 C   -2.540000       2.019200     -0.8376000    
 C    5.379100      -1.540400      -1.141400    
 C   -5.013700      0.7782000      -1.133900    
 C    6.209500     -0.6488000      0.9448000    
 C    6.261100      -1.611500     -6.3199997E-02
 C   -6.144900     -0.2294000      -1.040900    
 C    8.042100      -2.616200       1.151100    
 H    3.197600       1.836600      -1.328400    
 H    3.805000       2.477600      0.1775000    
 H    2.250400      0.9696000       1.463700    
 H    1.655000      0.2921000     -6.1200000E-02
 H    3.755300     -0.4509000      -2.050200    
 H    5.242900       1.129000       1.666400    
 H   -2.787300      0.3172000       2.093100    
 H   -3.123900       2.369600      -1.684200    
 H   -5.405600       1.738800      -1.486900    
 H   -4.281400      0.3958000      -1.857200    
 H    6.862000     -0.6408000       1.811000    
 H   -6.887200      0.1314000     -0.3209000    
 H   -6.624400     -0.3575000      -2.016200    
 H   -5.011700      -1.991600      -1.285600    
 H  -0.8020000      0.3283000       3.018500    
 H   0.2996000       3.223100      -1.666900    
 H    4.736400      -2.267000      -2.792300    
 H    8.704400      -3.482600       1.051500    
 H    7.483700      -2.748800       2.084000    
 H    8.682400      -1.727700       1.170800    
 H   -8.772200      -3.122900     -0.2339000    


%chk=000153335-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000153335

0 1
S -7.736706 -2.202094 -0.182559
O -4.395164 0.247226 0.154615
O 1.342354 2.707845 -1.376468
O 0.241401 -0.889263 0.587205
O -1.038525 3.282308 -1.600246
O 7.959571 -2.125531 0.937584
O 6.668024 -2.619401 -1.359040
O -9.502904 -1.586625 -0.091896
O -7.206029 -2.402127 1.322843
O -7.659845 -3.364549 -1.290090
N -7.018403 -0.745823 -0.848087
C 3.646666 1.350134 -0.732394
C 2.281198 0.736104 -0.338200
C 4.803865 0.473886 -0.276326
C 1.095759 1.585375 -0.762888
C -0.301939 1.209361 -0.514755
C -0.740233 0.008846 0.144239
C -1.349797 2.113740 -0.962759
C 5.201038 -0.654487 -1.041644
C 5.493744 0.732386 0.928549
C -3.080920 0.636236 -0.107510
C -2.096219 -0.279838 0.347420
C -2.721302 1.829868 -0.759738
C 6.246978 -1.500397 -0.621681
C -5.478527 1.115076 -0.320084
C 6.545585 -0.109347 1.364503
C 6.933703 -1.232831 0.600804
C -6.799895 0.421318 0.022296
C 8.687097 -1.860021 2.179012
H 3.671240 1.496734 -1.828036
H 3.729413 2.358384 -0.289346
H 2.230306 0.569925 0.755354
H 2.167504 -0.279771 -0.762540
H 4.689598 -0.871137 -1.991043
H 5.216427 1.602277 1.535276
H -2.425181 -1.198109 0.845265
H -3.445587 2.563350 -1.118553
H -5.436458 2.094522 0.199084
H -5.379988 1.285624 -1.411071
H 7.061971 0.122717 2.300872
H -6.755374 0.063525 1.066255
H -7.630594 1.150117 -0.059444
H -7.284803 -0.611053 -1.830624
H -0.177171 -1.674377 1.021832
H 0.018118 3.313345 -1.654529
H 6.133720 -2.696834 -2.188807
H 9.434603 -2.663886 2.247263
H 8.015173 -1.899071 3.059321
H 9.197369 -0.877056 2.146877
H -10.071664 -2.307495 0.306491


