%chk=000154717.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154717

0 1
 S   -2.082100     -0.1730000     -0.3301000    
 O   -2.976500      -1.316200     -0.4156000    
 O   -2.049500      0.8102000      -1.401100    
 O   -3.242600       1.681600      0.8950000    
 N   0.4199000       1.444100     -0.2205000    
 N   -2.333800      0.6134000       1.176500    
 C  -0.4434000     -0.7636000     -0.1126000    
 C   0.6307000      0.1214000     -8.2199998E-02
 C    1.924700     -0.4113000      9.6100003E-02
 C  -0.2612000      -2.141600      2.7799999E-02
 C    2.108300      -1.797300      0.2373000    
 C    1.016100      -2.659500      0.2030000    
 C    3.006300      0.4792000      0.1268000    
 C    2.792200       1.842600     -1.5400000E-02
 C    1.490800       2.269800     -0.1851000    
 H   -1.095600      -2.836100      7.3000002E-03
 H    3.104000      -2.213000      0.3752000    
 H    1.162200      -3.729700      0.3133000    
 H    4.022200      0.1149000      0.2620000    
 H    3.616900       2.545200      5.9000002E-03
 H   -2.726900      2.9300001E-02   1.926400    
 H    1.262100       3.324100     -0.3014000    
 H   -3.278600       2.171600       1.733800    


%chk=000154717-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000154717

0 1
S -2.419183 -0.546272 -0.168907
O -3.145332 -2.016943 -0.051947
O -2.490939 0.293981 -1.579902
O -2.144549 2.119750 0.896486
N 0.181023 1.408369 0.234028
N -2.481058 0.923937 1.521517
C -0.534481 -0.953345 0.035143
C 0.476460 0.054279 0.110145
C 1.863276 -0.379801 0.071190
C -0.220251 -2.306321 -0.009982
C 2.168402 -1.778013 0.007450
C 1.146808 -2.726310 -0.017302
C 2.886928 0.619772 0.101619
C 2.547466 1.971456 0.183198
C 1.171402 2.322609 0.264516
H -1.044577 -3.029491 -0.051161
H 3.219076 -2.088917 -0.017099
H 1.381307 -3.794614 -0.055878
H 3.936918 0.308660 0.061775
H 3.307809 2.755946 0.202022
H -3.526606 0.989990 1.664952
H 0.859577 3.366962 0.368621
H -1.073276 1.890416 0.551916


