%chk=000130498.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130498

0 1
 S   -5.232800      -1.033000     -0.3915000    
 O    2.263200       1.548300     -0.8120000    
 O   -3.025200       1.929200     -0.4873000    
 O   -2.828900      0.9770000       1.562300    
 N    1.126200     -0.3230000     -8.3300002E-02
 N   -1.167300     -0.8443000     -3.7999999E-02
 C    3.576500     -0.2683000      0.1378000    
 C    2.272100      0.4259000     -0.3054000    
 C    3.756200      -1.588800     -0.6262000    
 C    3.503900     -0.5784000       1.643800    
 C    4.777000      0.6563000     -0.1151000    
 C  -0.1929000      0.1600000     -0.4339000    
 C   -2.517900     -0.4240000     -0.3845000    
 C   -3.519300      -1.517300     -7.7999998E-03
 C   -2.790800      0.8803000      0.3412000    
 H    3.736000      -1.417000      -1.708600    
 H    4.714300      -2.060000     -0.3793000    
 H    2.967300      -2.313300     -0.3980000    
 H    2.723700      -1.309300       1.881700    
 H    3.285200      0.3286000       2.219400    
 H    4.453300     -0.9869000       2.008600    
 H    4.673400       1.601500      0.4302000    
 H    4.869800      0.8999000      -1.179700    
 H    5.715300      0.1876000      0.2023000    
 H  -0.2055000      0.3398000      -1.515000    
 H  -0.3186000       1.115300      8.5600004E-02
 H    1.188500      -1.246100      0.3321000    
 H   -2.579000     -0.2499000      -1.467300    
 H  -0.9506000      -1.724300     -0.5050000    
 H   -3.300900      -2.444300     -0.5491000    
 H   -3.474400      -1.739300       1.064500    
 H   -5.810300      -2.162600      4.3200001E-02
 H   -3.212700       2.753500      1.0200000E-02


%chk=000130498-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000130498

0 1
S -4.985084 -1.459950 -0.293460
O 2.385136 0.900712 -1.677077
O -1.152043 -1.173429 1.514839
O -1.846426 -2.823310 0.034815
N 0.771599 0.640588 -0.028190
N -1.261477 0.111612 -1.380513
C 3.154130 -0.010919 0.475712
C 2.074459 0.541666 -0.497005
C 2.595961 -0.471349 1.845273
C 4.193498 1.128505 0.688038
C 3.844549 -1.207171 -0.238799
C -0.327544 1.126631 -0.891387
C -2.313165 -0.426712 -0.502299
C -3.527133 -0.861861 -1.343818
C -1.796762 -1.611056 0.340194
H 1.862401 -1.294031 1.735583
H 3.424351 -0.856691 2.466983
H 2.126714 0.359085 2.406976
H 3.743003 1.992478 1.211028
H 4.578051 1.475302 -0.286015
H 5.040885 0.759178 1.295107
H 4.218041 -0.892141 -1.227384
H 3.141469 -2.048224 -0.387197
H 4.695046 -1.570223 0.367386
H 0.161743 1.602979 -1.757230
H -0.909509 1.885960 -0.338082
H 0.524298 0.288623 0.898511
H -2.617549 0.372952 0.196076
H -0.870435 -0.554128 -2.055034
H -3.901339 0.006066 -1.906901
H -3.257216 -1.664832 -2.048492
H -4.481155 -2.728853 -0.059486
H -0.813695 -1.964356 2.017747


