%chk=000051513.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051513

0 1
 S   -1.559300       2.487700      0.5007000    
 O    4.026300     -0.4169000      -1.155000    
 O   -2.968400       2.798300      0.6900000    
 O  -0.5925000       2.896800       1.508200    
 O   -3.538100      -3.484200     -0.2043000    
 O   -4.891200      -1.677000      5.9300002E-02
 N    1.119400      0.4854000      0.1874000    
 N    1.205100      -1.718000     -9.1399997E-02
 N   -1.061300       3.092900      -1.016600    
 C  -0.1868000      6.8000004E-02  0.1668000    
 C   -1.394500      0.7570000      0.2829000    
 C  -0.1066000      -1.310800     -8.3999997E-03
 C    1.912400     -0.6170000      2.9800000E-02
 C   -2.564100     -7.1999999E-03  0.2155000    
 C   -1.291800      -2.062800     -7.4100003E-02
 C   -2.515800      -1.392100      4.0100001E-02
 C    1.588200       1.844600      0.3481000    
 C    3.328500     -0.5805000      1.0000000E-03
 C    4.190100     -0.6948000       1.069200    
 C   -3.754700      -2.152200     -2.7899999E-02
 C   -1.785600       2.705000      -2.235500    
 C    5.497000     -0.5953000      0.5353000    
 C    5.343600     -0.4270000     -0.8211000    
 H   -3.536300      0.4735000      0.2953000    
 H   -1.216100      -3.136100     -0.2111000    
 H    2.656700       1.883900      0.1133000    
 H    1.126700       2.500900     -0.3716000    
 H    1.500400       2.131000       1.395100    
 H  -0.2232000       3.673300      -1.127000    
 H    3.917200     -0.8322000       2.106300    
 H   -1.951300       3.594700      -2.849200    
 H   -2.757800       2.259500      -2.011800    
 H   -1.184200       1.991200      -2.804300    
 H    6.433500     -0.6402000       1.072000    
 H    6.034600     -0.3057000      -1.642500    
 H   -4.378700      -3.987800     -0.2495000    


%chk=000051513-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051513

0 1
S -1.738572 2.620212 0.217936
O 4.274377 0.525870 0.185522
O -3.359988 2.791896 0.238837
O -0.827272 3.401165 1.318666
O -3.513548 -3.607428 0.303708
O -4.880372 -1.731021 0.205105
N 1.219058 0.590964 0.188272
N 1.296636 -1.713881 0.249430
N -1.031082 3.152752 -1.453046
C -0.106958 0.150861 0.203246
C -1.387752 0.754257 0.189898
C -0.035990 -1.298818 0.239888
C 2.027332 -0.575176 0.219455
C -2.545846 -0.031293 0.207228
C -1.196227 -2.094997 0.256755
C -2.453603 -1.454145 0.235878
C 1.670337 1.998948 0.127513
C 3.476044 -0.642792 0.222701
C 4.304642 -1.761960 0.261455
C -3.726424 -2.220600 0.245393
C -1.987036 2.890040 -2.565653
C 5.665277 -1.288007 0.248952
C 5.614114 0.096038 0.203050
H -3.532782 0.446128 0.209153
H -1.123439 -3.184122 0.285561
H 2.765161 2.024843 0.121477
H 1.272682 2.466211 -0.788913
H 1.278899 2.553562 0.995665
H -0.860739 4.170293 -1.313392
H 3.952910 -2.790006 0.296301
H -2.981923 3.355873 -2.428528
H -2.113266 1.801486 -2.687353
H -1.522610 3.283342 -3.487703
H 6.567266 -1.895757 0.272031
H 6.358136 0.887000 0.180189
H -4.396041 -4.065839 0.310321


