%chk=000148833.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148833

0 1
 S   -1.762300       1.016100      0.1998000    
 O   -2.849900       1.897800     -0.1866000    
 O   -1.284300       1.022600       1.571000    
 O   -2.672000      -2.402000       1.029300    
 N  -0.4346000       1.319200     -0.8646000    
 N   -2.189600     -0.6064000     -0.2396000    
 N   -3.059100      -1.260400      0.7564000    
 C   0.8305000      0.7226000     -0.5184000    
 C    3.267300     -0.4288000      0.1482000    
 C    1.305200     -0.3515000      -1.258900    
 C    1.556900       1.229400      0.5506000    
 C    2.529300     -0.9300000     -0.9239000    
 C    2.781200      0.6509000      0.8856000    
 C    4.577000      -1.046500      0.5055000    
 C   -2.595600     -0.8328000      -1.654400    
 H  -0.6484000       1.323500      -1.870100    
 H   0.7388000     -0.7483000      -2.096600    
 H    1.197000       2.079200       1.123900    
 H    2.898500      -1.769300      -1.507300    
 H    3.349500       1.053600       1.719900    
 H   -3.532700     -0.3126000      -1.873600    
 H   -2.740500      -1.903900      -1.831100    
 H   -1.818700     -0.4955000      -2.343400    
 H    4.774100     -0.9613000       1.579600    
 H    4.589900      -2.114200      0.2615000    
 H    5.386700     -0.5521000     -4.0199999E-02


%chk=000148833-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000148833

0 1
S -1.716116 0.713061 0.097240
O -2.851066 1.845297 0.334111
O -1.209672 -0.121496 1.395299
O -2.435147 -1.869603 -2.943139
N 0.054802 1.159984 -1.240883
N -2.668682 -0.561774 -1.150869
N -1.847128 -1.066605 -2.110695
C 1.191317 0.631070 -0.637645
C 3.622738 -0.283059 0.555248
C 1.706593 -0.678832 -0.936801
C 1.900681 1.455446 0.299914
C 2.910625 -1.108497 -0.364904
C 3.089703 1.000884 0.881002
C 4.925511 -0.749989 1.163873
C -4.118944 -0.792322 -1.045818
H -0.320598 0.496119 -1.965536
H 1.144745 -1.327937 -1.619092
H 1.488131 2.442224 0.533141
H 3.306053 -2.100936 -0.608378
H 3.624427 1.636039 1.596104
H -4.327877 -1.818199 -0.693810
H -4.591059 -0.652507 -2.034849
H -4.519964 -0.053305 -0.332067
H 5.041151 -0.390930 2.201385
H 5.007829 -1.849900 1.162203
H 5.786148 -0.354932 0.587564


