%chk=000102556.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102556

0 1
 S    1.497000      -1.553900     -0.5574000    
 O    2.399300      -2.181500      0.3940000    
 O    1.148800      -2.246200      -1.786900    
 O    1.568600       3.040400      0.9578000    
 O   0.6622000       2.287400     -0.9798000    
 O    5.202700     -0.4622000     -0.7376000    
 N    2.093200     -2.7000001E-03 -0.9460000    
 N   -4.620000      0.4529000      0.3897000    
 N    5.162700     -9.0899996E-02   1.531700    
 C  -4.6000001E-03  -1.173200      0.2726000    
 C   -1.127400     -0.6481000     -0.3878000    
 C   -2.299400     -0.3692000      0.3549000    
 C    2.381300      0.9643000      0.1229000    
 C   -3.422200      0.1556000     -0.3056000    
 C  -3.7000000E-02  -1.419500       1.645400    
 C   -1.112800     -0.3943000      -1.768900    
 C   -2.314100     -0.6234000       1.736000    
 C    3.856900       1.358100      9.1399997E-02
 C   -1.189400      -1.145300       2.375800    
 C   -3.390100      0.4017000      -1.678500    
 C   -2.237600      0.1272000      -2.408700    
 C    1.447500       2.139500     -5.2499998E-02
 C   -5.649400     -0.5534000      0.5294000    
 C   -4.815600       1.760300      0.9764000    
 C    4.799300      0.1764000      0.2317000    
 H    2.157500      0.5147000       1.096800    
 H    2.039900      0.3496000      -1.909200    
 H   0.8170000      -1.820800       2.182600    
 H  -0.2475000     -0.5399000      -2.402500    
 H    4.073900       2.088000      0.8811000    
 H    4.098100       1.859000     -0.8553000    
 H   -3.190700     -0.4228000       2.346900    
 H   -1.213600      -1.335800       3.444900    
 H   -4.258200      0.8101000      -2.190000    
 H   -2.211000      0.3283000      -3.475800    
 H   -5.331800      -1.338600       1.223100    
 H   -5.874300      -1.017900     -0.4371000    
 H   -6.584500     -0.1283000      0.9094000    
 H   -5.062700       2.490900      0.1991000    
 H   -3.912900       2.102100       1.494600    
 H   -5.629200       1.758700       1.709500    
 H   0.9597000       3.801000      0.8436000    
 H    5.793700     -0.8548000       1.750300    
 H    4.812500      0.4493000       2.316300    


%chk=000102556-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000102556

0 1
S 1.615370 -1.530580 -0.195351
O 2.624187 -1.869339 1.050152
O 1.505572 -2.504326 -1.482818
O 1.693838 2.973311 1.304711
O 0.721698 2.320894 -0.705590
O 6.449858 1.400647 0.010770
N 2.366187 0.033308 -0.835580
N -4.777710 0.330433 0.414982
N 5.170856 -0.425087 0.659260
C -0.084482 -1.169572 0.592430
C -1.227977 -0.889515 -0.227541
C -2.437540 -0.510194 0.493150
C 2.662756 1.061672 0.179994
C -3.624494 -0.135528 -0.263898
C -0.083117 -1.195244 1.983135
C -1.252721 -1.002239 -1.654147
C -2.450654 -0.591185 1.922852
C 4.055807 1.701089 -0.096676
C -1.311095 -0.931664 2.657122
C -3.611147 -0.300437 -1.663934
C -2.441228 -0.740850 -2.340069
C 1.582785 2.150654 0.186245
C -6.082896 0.214162 -0.254456
C -4.686394 1.517128 1.297387
C 5.315261 0.857945 0.190073
H 2.689651 0.588321 1.180770
H 1.816173 0.379483 -1.643290
H 0.832351 -1.447598 2.527745
H -0.368027 -1.350597 -2.193841
H 4.160567 2.615216 0.516207
H 4.116141 2.014543 -1.154468
H -3.397996 -0.427449 2.443972
H -1.354321 -1.011252 3.747459
H -4.498773 -0.049975 -2.251763
H -2.469327 -0.849795 -3.429734
H -6.182462 -0.777268 -0.726275
H -6.250584 0.997061 -1.029734
H -6.880830 0.316378 0.502726
H -5.027508 2.430699 0.762233
H -3.648486 1.686890 1.618355
H -5.319426 1.389367 2.195997
H 1.013246 3.698895 1.263819
H 6.033784 -0.939261 0.841927
H 4.278908 -0.936342 0.733993


