%chk=000094124.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094124

0 1
 S   -3.109300      0.1705000     -7.1999997E-02
 O   -1.129700      -2.049400     -3.5500001E-02
 O   -3.508900     -0.3969000       1.407100    
 O   -3.668200       1.508900     -0.1813000    
 O   -3.430400     -0.8531000      -1.052800    
 N    3.455300       2.004400      1.8100001E-02
 C   0.8506000     -0.6845000     -9.8000001E-03
 C    1.427600      0.6076000     -6.6999998E-03
 C   -1.365600      0.3180000     -4.7600001E-02
 C  -0.5477000     -0.8122000     -3.0400001E-02
 C   0.5892000       1.734300     -2.4300000E-02
 C    2.826100      0.7352000      1.3800000E-02
 C  -0.7981000       1.588800     -4.4700000E-02
 C    1.689100      -1.811100      7.4999998E-03
 C    3.643900     -0.3949000      3.0900000E-02
 C    3.076300      -1.665700      2.7700000E-02
 H   0.9725000       2.750000     -2.2399999E-02
 H   -1.406700       2.488300     -5.5399999E-02
 H    1.302400      -2.826100     -1.1100000E-02
 H    4.726700     -0.2990000      4.5800000E-02
 H    3.714000      -2.545000      3.7000000E-02
 H    2.931700       2.866000      5.7999999E-03
 H    4.466200       2.052200      3.2699998E-02
 H  -0.5851000      -2.675000      0.4678000    
 H   -3.270900      0.1894000       2.163600    


%chk=000094124-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000094124

0 1
S -3.209940 0.408979 0.021895
O -1.300279 -1.872183 0.334907
O -3.548148 -0.607551 1.522809
O -3.775999 1.880735 0.353801
O -3.707228 -0.389180 -1.291096
N 3.582318 1.948875 -0.249454
C 0.849466 -0.623262 0.143215
C 1.477083 0.674792 -0.015823
C -1.332210 0.500511 0.071556
C -0.589742 -0.673764 0.163976
C 0.661821 1.851458 -0.083913
C 2.928041 0.734993 -0.080093
C -0.730407 1.777971 -0.034701
C 1.642328 -1.807420 0.274957
C 3.676421 -0.457464 0.034141
C 3.036540 -1.709073 0.217129
H 1.115206 2.843894 -0.167867
H -1.363559 2.669268 -0.070177
H 1.185241 -2.787968 0.450913
H 4.770638 -0.412435 -0.012880
H 3.650949 -2.609581 0.320462
H 3.082034 2.822812 -0.370006
H 4.597534 1.977915 -0.281428
H -0.775341 -2.665190 0.067700
H -3.071765 -1.476431 1.343777


