%chk=000067392.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000067392

0 1
 S    5.228000      0.3530000     -9.0099998E-02
 O    3.664800      0.6601000      0.2910000    
 O    6.065500       1.251100      0.9837000    
 O    5.490200      -1.042600      0.2089000    
 O    5.497000      0.8773000      -1.416300    
 C    1.226800      0.3062000      0.1801000    
 C   0.4346000     -0.8986000     -0.3661000    
 C   -1.033300     -0.8642000      5.8200002E-02
 C   -1.690100      0.4252000     -0.5217000    
 C    2.627000     -5.5100001E-02 -0.3510000    
 C   0.6216000       1.584000     -0.4138000    
 C    1.297400      -2.096200      2.1700000E-02
 C  -0.8875000       1.692800     -0.1223000    
 C    2.739700      -1.572200     -0.1029000    
 C   -1.815500      -2.084200     -0.4319000    
 C    1.250400      0.4219000       1.725900    
 C   -3.182000      0.4771000     -0.2038000    
 C   -3.228200      -2.058800      0.1440000    
 C   -3.899300     -0.7091000      6.6100001E-02
 C   -3.896000       1.687200     -0.2589000    
 C   -5.280300     -0.6495000      0.3236000    
 C   -5.269600       1.731000     -1.0300000E-02
 C   -5.961300      0.5637000      0.2859000    
 H   0.4494000     -0.8580000      -1.468300    
 H   -1.098200     -0.8498000       1.153800    
 H   -1.636400      0.3601000      -1.619700    
 H    2.684000      0.1418000      -1.430000    
 H   0.7642000       1.594100      -1.502300    
 H    1.136500       2.472300     -2.8600000E-02
 H    1.128400      -2.953200     -0.6382000    
 H    1.093800      -2.422900       1.047600    
 H   -1.048600       1.914200      0.9396000    
 H   -1.257400       2.564600     -0.6742000    
 H    3.277700      -1.813500      0.8197000    
 H    3.258000      -2.062700     -0.9341000    
 H   -1.327400      -3.017300     -0.1292000    
 H   -1.858900      -2.087700      -1.528700    
 H    1.834500       1.295700       2.037600    
 H   0.2529000      0.5402000       2.156800    
 H    1.702100     -0.4527000       2.204400    
 H   -3.188200      -2.353400       1.200500    
 H   -3.834200      -2.805800     -0.3828000    
 H   -3.400600       2.621800     -0.5041000    
 H   -5.832600      -1.557700      0.5537000    
 H   -5.797300       2.679400     -5.2800000E-02
 H   -7.028700      0.5962000      0.4819000    
 H    5.760200       2.183500       1.082100    


%chk=000067392-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000067392

0 1
S 5.399569 0.467024 -0.264193
O 3.682302 0.619981 0.451358
O 5.902813 2.030872 0.516920
O 6.279920 -0.688285 0.404316
O 5.309973 0.595747 -1.864030
C 1.245742 0.232447 0.280864
C 0.436914 -0.967603 -0.322105
C -1.051689 -0.911295 0.064385
C -1.657338 0.420894 -0.480969
C 2.653585 -0.171177 -0.262023
C 0.667465 1.549948 -0.281195
C 1.283594 -2.220167 0.031068
C -0.855668 1.663931 0.004591
C 2.764538 -1.707271 -0.026848
C -1.868805 -2.102854 -0.479411
C 1.258944 0.250013 1.832366
C -3.169498 0.506249 -0.209213
C -3.303922 -2.060370 0.083901
C -3.940067 -0.673106 0.020463
C -3.842945 1.756618 -0.234137
C -5.339816 -0.562924 0.217328
C -5.236043 1.855480 -0.035528
C -5.994380 0.685271 0.192810
H 0.480388 -0.847434 -1.430215
H -1.140731 -0.920619 1.171705
H -1.529315 0.376090 -1.588533
H 2.714755 0.076456 -1.341475
H 0.832146 1.580717 -1.378623
H 1.190864 2.425381 0.149403
H 1.106152 -3.049069 -0.675454
H 1.032279 -2.592914 1.041522
H -1.036499 1.817170 1.086255
H -1.226713 2.573636 -0.502648
H 3.296042 -1.897608 0.922345
H 3.342541 -2.194735 -0.831424
H -1.390044 -3.061655 -0.204393
H -1.890139 -2.054293 -1.587748
H 1.920715 1.056093 2.193525
H 0.251636 0.428770 2.243081
H 1.631486 -0.697588 2.257778
H -3.281323 -2.391527 1.143569
H -3.948395 -2.786695 -0.448017
H -3.274928 2.675086 -0.414738
H -5.922369 -1.477311 0.389715
H -5.724969 2.835806 -0.061703
H -7.077818 0.745016 0.344979
H 5.052153 2.541101 0.665074


