%chk=000104154.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104154

0 1
 S    4.843600       3.132400     -1.3700000E-02
 S   -4.709200       3.264300     -0.3534000    
 O   2.7500000E-02  -2.006100       1.681900    
 O  -0.1039000      -4.109600       2.631900    
 O    4.754300       1.582100     -0.5546000    
 O   -4.672700       1.876500      0.5279000    
 O    6.277800       3.663100     -0.5847000    
 O   -6.121400       3.962000      7.5099997E-02
 O    4.942900       3.088900       1.433600    
 O    3.795600       3.913600     -0.6446000    
 O   -4.816000       2.894600      -1.752900    
 O   -3.631700       4.131400      8.6300001E-02
 C  -1.5400000E-02  -1.382100      0.3473000    
 C  -6.8899997E-02  -2.610400     -0.5128000    
 C    1.271100     -0.5832000      0.1043000    
 C   -1.271300     -0.5042000      0.3959000    
 C  -0.1165000      -3.748000      0.2720000    
 C  -7.3799998E-02  -3.368400       1.670500    
 C  -4.9400002E-02  -2.737300      -1.895900    
 C    1.415200      0.1752000      -1.059300    
 C   -1.383600      0.5049000       1.354700    
 C    2.302000     -0.6110000       1.045900    
 C   -2.306200     -0.7100000     -0.5187000    
 C  -0.1661000      -5.028000     -0.2525000    
 C  -0.1003000      -4.017200      -2.458100    
 C  -0.1609000      -5.155900      -1.640400    
 C    2.584700      0.9025000      -1.280300    
 C   -2.525600       1.304400       1.398700    
 C    3.471500      0.1162000      0.8249000    
 C   -3.448400      8.9599997E-02 -0.4746000    
 C    3.613000      0.8729000     -0.3383000    
 C   -3.558100       1.096700      0.4841000    
 H  -1.1000000E-02  -1.872800      -2.548700    
 H   0.6219000      0.2290000      -1.799100    
 H  -0.5907000      0.6802000       2.077000    
 H    2.231900      -1.189100       1.962200    
 H   -2.277900      -1.480500      -1.279300    
 H  -0.2008000      -5.904700      0.3843000    
 H  -9.3800001E-02  -4.131700      -3.538700    
 H  -0.1984000      -6.142500      -2.093700    
 H    2.687200       1.491400      -2.187700    
 H   -2.605400       2.085700       2.149700    
 H    4.269600      8.6900003E-02   1.561800    
 H   -4.250600     -7.9599999E-02  -1.187800    
 H    7.037700       3.049400     -0.4500000    
 H   -6.903000       3.361200      8.1200004E-02


%chk=000104154-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000104154

0 1
S 5.491524 3.115529 0.402488
S -5.332231 3.117028 -0.891769
O 0.056849 -1.890481 1.788060
O 0.010619 -4.040888 2.710444
O 4.844149 1.527151 -0.771076
O -4.755296 1.954776 0.732791
O 7.149319 2.844358 -0.309183
O -7.002447 3.151909 -0.162617
O 5.443567 2.665351 1.950561
O 5.022322 4.595528 -0.013840
O -5.291531 2.185500 -2.208922
O -4.805401 4.633286 -0.973740
C -0.021758 -1.268917 0.408884
C -0.079693 -2.491908 -0.518249
C 1.266465 -0.468969 0.161120
C -1.285361 -0.397339 0.418378
C -0.078828 -3.669117 0.257329
C -0.009028 -3.325088 1.698724
C -0.111178 -2.562395 -1.922602
C 1.301775 0.490684 -0.890300
C -1.273008 0.809107 1.175895
C 2.435543 -0.717721 0.927035
C -2.476605 -0.795674 -0.243315
C -0.119550 -4.949891 -0.329889
C -0.153104 -3.843497 -2.524919
C -0.159319 -5.026604 -1.739471
C 2.483875 1.189160 -1.176858
C -2.416604 1.615061 1.252998
C 3.628355 -0.031248 0.644458
C -3.635143 -0.004213 -0.165906
C 3.667049 0.912519 -0.426328
C -3.615217 1.204337 0.592873
H -0.098013 -1.659818 -2.541962
H 0.394348 0.704913 -1.465712
H -0.361011 1.105045 1.704274
H 2.391887 -1.430089 1.754709
H -2.497880 -1.723914 -0.821875
H -0.116651 -5.845761 0.299072
H -0.178334 -3.923273 -3.616950
H -0.190369 -6.002780 -2.234103
H 2.529491 1.937055 -1.974716
H -2.424622 2.547470 1.825883
H 4.534687 -0.201942 1.233739
H -4.557208 -0.292643 -0.679717
H 7.076267 1.963327 -0.785305
H -6.966200 2.477877 0.581009


