%chk=000018279.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018279

0 1
 S   -3.345100       1.705400      6.7800000E-02
 O   -1.973000       2.483000      0.4770000    
 O   -4.226400       1.666400       1.215400    
 O   -3.787800       2.179200      -1.226400    
 O   -2.994300      -1.664800      -1.677300    
 O   -4.835100     -0.7875000     -0.6719000    
 C  -0.2495000      -1.918500      0.3177000    
 C   0.8688000      -1.000200      0.8146000    
 C   -1.522800      -1.843900       1.166100    
 C    2.143900      -1.183200     -1.1500000E-02
 C   -2.213900     -0.4761000       1.215000    
 C    3.253100     -0.2424000      0.4622000    
 C    4.538800     -0.4480000     -0.3422000    
 C   -2.626100      9.2900001E-02 -0.1440000    
 C    5.636100      0.5172000      0.1119000    
 C    6.936100      0.3742000     -0.6826000    
 C   -3.624300     -0.8026000     -0.8401000    
 C    8.021300       1.348900     -0.2518000    
 H  -0.4733000      -1.694100     -0.7304000    
 H   0.1084000      -2.955800      0.3383000    
 H   0.5483000      4.5899998E-02  0.7510000    
 H    1.079900      -1.213100       1.869400    
 H   -1.278400      -2.141100       2.194000    
 H   -2.231100      -2.596700      0.7998000    
 H    2.484800      -2.222800      6.6000000E-02
 H    1.928000     -0.9913000      -1.069600    
 H   -3.101500     -0.5896000       1.851500    
 H   -1.562700      0.2327000       1.739800    
 H    2.918100      0.7973000      0.3628000    
 H    3.455200     -0.4168000       1.526000    
 H    4.887600      -1.481200     -0.2260000    
 H    4.334700     -0.2927000      -1.408400    
 H   -1.766900      0.2434000     -0.8074000    
 H    5.846000      0.3530000       1.176200    
 H    5.272400       1.548000      1.6799999E-02
 H    7.315600     -0.6491000     -0.5758000    
 H    6.728600      0.5263000      -1.748500    
 H    7.690200       2.383900     -0.3824000    
 H    8.925000       1.201400     -0.8512000    
 H    8.281900       1.201800      0.8010000    
 H   -1.325800       2.617600     -0.2546000    
 H   -3.626100      -2.264000      -2.128800    


%chk=000018279-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000018279

0 1
S -3.145699 1.743038 0.084540
O -1.748751 2.262221 -1.037280
O -2.836155 2.289566 1.573629
O -4.563027 2.107802 -0.599414
O -3.794301 -0.702915 -2.107810
O -4.689166 -1.545752 -0.126881
C -0.216810 -2.114441 0.353567
C 0.854186 -1.086936 0.788822
C -1.510958 -2.093032 1.203835
C 2.194626 -1.263106 0.040285
C -2.236360 -0.715591 1.289433
C 3.265480 -0.228912 0.454658
C 4.617127 -0.425698 -0.268303
C -2.620798 -0.210696 -0.089783
C 5.687987 0.610095 0.142373
C 7.045502 0.400951 -0.567052
C -3.811518 -0.893809 -0.729703
C 8.109668 1.440122 -0.152426
H -0.453824 -1.965637 -0.720526
H 0.217057 -3.132235 0.423724
H 0.485203 -0.053649 0.623478
H 1.028784 -1.184073 1.881068
H -1.264520 -2.382820 2.244188
H -2.220854 -2.854355 0.826386
H 2.583456 -2.286784 0.223360
H 2.017756 -1.188983 -1.053345
H -3.143784 -0.826699 1.908853
H -1.582139 0.022812 1.785209
H 2.885413 0.793911 0.251139
H 3.425832 -0.287721 1.551716
H 4.998242 -1.447577 -0.060073
H 4.457715 -0.371698 -1.365808
H -1.793634 -0.081471 -0.803432
H 5.840124 0.565203 1.241351
H 5.314530 1.632249 -0.077277
H 7.417838 -0.620227 -0.345493
H 6.892978 0.444111 -1.665010
H 7.773740 2.467354 -0.389609
H 9.069195 1.269482 -0.674569
H 8.304389 1.395172 0.935900
H -1.801694 3.252992 -1.164598
H -4.614136 -1.089264 -2.519720


