%chk=000125932.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125932

0 1
 S    3.918000      0.2398000      9.6299998E-02
 O    5.011800     -0.8724000     -0.3807000    
 O    3.927900      0.3117000       1.546200    
 O    4.074200       1.427900     -0.7233000    
 O   -2.360100      -3.029000     -0.8504000    
 O   -3.352500       2.503700     -0.8760000    
 O   -2.311200      -2.372000       1.324100    
 O   -2.705900       2.237900       1.285900    
 N   -1.244200      3.0600000E-02  3.1199999E-02
 C  -4.4100001E-02 -0.6569000     -0.4305000    
 C    1.205300      8.3499998E-02  3.9900001E-02
 C    2.469800     -0.6239000     -0.4244000    
 C   -2.446300     -0.6880000     -0.3953000    
 C   -1.273000       1.407400     -0.4655000    
 C   -2.379100      -2.094100      0.1334000    
 C   -2.490600       2.093700      8.9100003E-02
 H  -3.3599999E-02 -0.7432000      -1.525400    
 H   1.9900000E-02  -1.672500     -2.3900000E-02
 H    1.202400      0.1729000       1.133400    
 H    1.261800       1.096700     -0.3680000    
 H    2.504100     -0.7004000      -1.515800    
 H    2.517800      -1.630500      4.1000000E-03
 H   -2.541900     -0.7088000      -1.488300    
 H   -3.370500     -0.2603000      8.8000000E-03
 H   -1.280400       1.451900      -1.561500    
 H  -0.4457000       2.027400     -0.1093000    
 H    5.039600      -1.698300      0.1574000    
 H   -2.296100      -3.938800     -0.4891000    
 H   -4.149900       2.931200     -0.4967000    


%chk=000125932-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000125932

0 1
S 3.855346 0.069382 0.687061
O 5.178703 -0.329396 -0.576527
O 4.161537 -0.743748 2.051344
O 3.628787 1.670565 0.752387
O -3.428805 -2.939946 0.346740
O -2.528958 3.404005 -0.417168
O -1.294234 -2.396435 1.086701
O -3.204670 1.573043 0.845754
N -1.303025 -0.080339 -0.632365
C 0.021925 -0.599484 -1.015221
C 1.101049 -0.202002 0.032596
C 2.463905 -0.758940 -0.368662
C -2.428754 -1.010392 -0.652181
C -1.578012 1.296781 -1.029647
C -2.274363 -2.146071 0.356316
C -2.513493 2.044598 -0.079199
H 0.329650 -0.240024 -2.026076
H -0.034746 -1.700496 -1.067384
H 0.775923 -0.592404 1.010956
H 1.156287 0.901460 0.101199
H 2.774184 -0.499236 -1.394128
H 2.610720 -1.831258 -0.166181
H -2.619066 -1.482542 -1.648099
H -3.351386 -0.473010 -0.372970
H -2.019923 1.397480 -2.053580
H -0.631995 1.865703 -1.059539
H 6.064143 -0.085762 -0.181086
H -3.330361 -3.676581 1.008942
H -3.152869 3.892252 0.185717


