%chk=000082602.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082602

0 1
 S   -1.075400       1.793500      9.3999997E-02
 O   -1.372100       2.134700       1.472200    
 O  -0.9613000       2.834900     -0.9090000    
 O   -1.708400      -1.976200      -1.393800    
 N   -2.188400      0.6199000     -0.4411000    
 N   -2.309600     -0.5788000      0.3570000    
 N   -2.204000      -2.848600      0.6716000    
 C   0.4444000      0.8893000      7.3700003E-02
 C   0.8359000      0.2019000       1.209000    
 C    1.212900      0.8869000      -1.077000    
 C    2.822400     -0.5254000      4.1900001E-02
 C    2.034700     -0.5111000       1.192900    
 C    2.411600      0.1737000      -1.093000    
 C    4.103900      -1.287800      2.4800001E-02
 C   -2.046600      -1.806800     -0.2233000    
 H   0.2336000      0.1958000       2.112200    
 H   0.9063000       1.417300      -1.973100    
 H    2.342600      -1.054500       2.082400    
 H    3.014900      0.1672000      -1.997100    
 H   -2.396000      0.5316000      -1.443100    
 H    4.559400      -1.317400       1.020600    
 H    3.925700      -2.314500     -0.3101000    
 H    4.832700     -0.8211000     -0.6467000    
 H   -2.592000     -0.4681000       1.324400    
 H   -2.481500      -2.684700       1.633500    
 H   -2.044700      -3.810800      0.3925000    


%chk=000082602-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000082602

0 1
S -1.060564 1.050107 -0.233223
O -1.699598 0.658949 1.257802
O -1.036386 2.623831 -0.694917
O -1.923269 -2.554097 0.270847
N -2.613452 -0.368611 -1.348994
N -3.299083 -0.736716 -0.243865
N -3.485385 -1.802967 1.865017
C 0.745943 0.478486 -0.207444
C 1.047181 -0.822654 0.227782
C 1.720276 1.395822 -0.633339
C 3.432623 -0.319976 -0.171557
C 2.406170 -1.210085 0.243723
C 3.070389 0.983285 -0.604176
C 4.885490 -0.760055 -0.177112
C -2.825447 -1.759997 0.660432
H 0.259246 -1.514504 0.548461
H 1.422921 2.398792 -0.957341
H 2.669010 -2.218692 0.583141
H 3.851493 1.684286 -0.921057
H -1.925290 -1.147504 -1.528118
H 5.074083 -1.549275 0.570920
H 5.169618 -1.168750 -1.166246
H 5.564816 0.083969 0.035026
H -4.029466 -0.082777 0.050404
H -3.910710 -0.961711 2.254961
H -3.209609 -2.538259 2.514272


