%chk=000104386.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104386

0 1
 S    6.920100      -1.372800     -2.2200000E-02
 O    1.957400     -0.1865000     -4.0700000E-02
 O    3.403500       1.607700      7.6800004E-02
 C   -4.238800      0.7771000      2.9000000E-03
 C   -2.958800     -6.5600000E-02 -3.9000001E-02
 C   -5.561900     -1.0300000E-02  5.0799999E-02
 C   -1.676900      0.7689000     -2.0199999E-02
 C  -0.4361000     -0.1215000     -6.8499997E-02
 C   -5.568100     -0.9349000       1.271700    
 C   -5.800400     -0.8293000      -1.218100    
 C   0.8455000      0.6975000     -6.6999998E-03
 C    3.193500      0.4044000      8.0000004E-03
 C    4.260700     -0.6668000     -3.6699999E-02
 C    5.660300     -6.7900002E-02  4.2100001E-02
 H   -4.254800       1.440900     -0.8710000    
 H   -4.194900       1.433900      0.8817000    
 H   -2.961300     -0.6891000     -0.9404000    
 H   -2.930200     -0.7450000      0.8197000    
 H   -6.380900      0.7122000      0.1546000    
 H   -1.655500       1.383600      0.8878000    
 H   -1.672600       1.454800     -0.8758000    
 H  -0.4380000     -0.7273000     -0.9833000    
 H  -0.4483000     -0.8359000      0.7642000    
 H   -5.316800     -0.3854000       2.184900    
 H   -4.870500      -1.771600       1.165200    
 H   -6.566400      -1.365000       1.410800    
 H   -5.056300      -1.622600      -1.341000    
 H   -6.787500      -1.303200      -1.187700    
 H   -5.765300     -0.1882000      -2.105100    
 H   0.8731000       1.281600      0.9206000    
 H   0.8953000       1.380600     -0.8628000    
 H    4.136900      -1.221200     -0.9743000    
 H    4.090700      -1.343400      0.8091000    
 H    5.832800      0.6240000     -0.7890000    
 H    5.788300      0.4958000      0.9723000    
 H    7.984100     -0.5610000      6.3699998E-02


%chk=000104386-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000104386

0 1
S 7.028501 -1.444201 -0.034842
O 2.019777 -0.178982 -0.015736
O 3.455894 1.658018 0.000192
C -4.268314 0.754372 0.058370
C -2.986924 -0.110681 0.011520
C -5.615442 -0.025006 0.040696
C -1.699020 0.744621 0.017523
C -0.412917 -0.115035 -0.005346
C -5.774205 -0.953932 1.269423
C -5.823595 -0.810782 -1.277108
C 0.846275 0.750688 -0.001036
C 3.279271 0.417291 -0.013445
C 4.368394 -0.645644 -0.030276
C 5.769793 -0.020212 -0.010357
H -4.254924 1.455339 -0.802794
H -4.236626 1.383684 0.972843
H -2.992249 -0.747182 -0.895840
H -2.964783 -0.798647 0.880045
H -6.418562 0.740768 0.099122
H -1.696988 1.394489 0.917503
H -1.708729 1.425953 -0.858737
H -0.407946 -0.761210 -0.904170
H -0.395036 -0.787408 0.873880
H -5.623988 -0.398699 2.214713
H -5.044258 -1.784331 1.243201
H -6.785111 -1.401982 1.295640
H -5.096408 -1.638793 -1.373029
H -6.836293 -1.253944 -1.314784
H -5.707769 -0.152648 -2.159006
H 0.916419 1.385925 0.901491
H 0.909444 1.406098 -0.889509
H 4.229374 -1.275725 -0.929352
H 4.220013 -1.314121 0.838894
H 5.927861 0.617846 -0.893026
H 5.919767 0.579666 0.900119
H 8.161205 -0.647092 -0.022382


