%chk=000051584.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051584

0 1
 S   0.7730000      -1.855600     -0.9791000    
 O    1.561100       1.247800      0.6622000    
 O    2.120800     -0.7344000       1.698300    
 C  -0.7086000     -0.9235000     -0.6170000    
 C   -1.034800      0.2079000      -1.373900    
 C   -1.552700      -1.315300      0.4286000    
 C    2.058600     -0.5827000     -0.7320000    
 C   -2.189000      0.9375000      -1.089000    
 C   -2.706900     -0.5856000      0.7134000    
 C    3.445600      -1.177300     -0.9888000    
 C   -3.025000      0.5407000     -4.5499999E-02
 C  -0.1589000      0.6611000      -2.502000    
 C   -1.238900      -2.519200       1.263900    
 C   -2.552700       2.151100      -1.881100    
 C   -3.621000     -0.9855000       1.825500    
 C    1.939000     -6.5300003E-02  0.6889000    
 C    4.562100     -0.1666000     -0.7527000    
 C    1.370700       1.861200       1.941000    
 C   0.9575000       3.303600       1.739500    
 H    1.960400      0.2487000      -1.425700    
 H    3.512400      -1.533700      -2.024400    
 H    3.626100      -2.041000     -0.3359000    
 H   -3.925200       1.109400      0.1756000    
 H   0.4420000     -0.1258000      -2.963100    
 H  -0.7698000       1.015600      -3.341000    
 H   0.4737000       1.497600      -2.189900    
 H   -1.066600      -3.394500      0.6275000    
 H  -0.3460000      -2.332800       1.870500    
 H   -2.029500      -2.822500       1.953100    
 H   -1.713000       2.851800      -1.937400    
 H   -2.868800       1.871100      -2.891000    
 H   -3.383100       2.698000      -1.420100    
 H   -4.073600      -1.962200       1.625500    
 H   -3.089200      -1.004000       2.782600    
 H   -4.446100     -0.2733000       1.942100    
 H    4.613200      0.1440000      0.2952000    
 H    4.421800      0.7253000      -1.371800    
 H    5.528700     -0.6096000      -1.013800    
 H   0.5876000       1.325200       2.488900    
 H    2.306700       1.819600       2.509000    
 H   0.8014000       3.803800       2.699200    
 H    1.722400       3.848300       1.176300    
 H   3.2600001E-02   3.360500       1.155800    


%chk=000051584-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051584

0 1
S 0.806096 -1.727258 -1.292863
O 1.522935 1.313880 0.504279
O 2.049321 -0.609314 1.714136
C -0.688061 -0.772056 -0.733619
C -1.081729 0.401771 -1.437011
C -1.417141 -1.291850 0.378974
C 2.269541 -0.582697 -0.752833
C -2.244986 1.095957 -0.989220
C -2.589875 -0.594579 0.797492
C 3.539162 -1.455825 -0.752614
C -2.969259 0.583274 0.110059
C -0.287249 0.942579 -2.609902
C -0.951050 -2.544485 1.103896
C -2.712346 2.369300 -1.675206
C -3.437561 -1.075228 1.966582
C 1.956720 -0.007122 0.618205
C 4.821101 -0.622358 -0.528001
C 1.056813 1.965305 1.769037
C 0.531012 3.344386 1.385585
H 2.331826 0.234210 -1.489255
H 3.603187 -1.986942 -1.721721
H 3.438791 -2.220090 0.039278
H -3.867670 1.118375 0.443965
H 0.321858 0.148925 -3.073920
H -0.947406 1.374241 -3.382164
H 0.399487 1.746821 -2.277864
H -0.961916 -3.424913 0.435639
H 0.090248 -2.428439 1.453909
H -1.586940 -2.771240 1.973486
H -1.909870 3.129990 -1.721234
H -3.030882 2.180058 -2.718790
H -3.570291 2.812926 -1.141435
H -3.828700 -2.096337 1.799412
H -2.863578 -1.100281 2.912309
H -4.302654 -0.407215 2.118662
H 4.805142 -0.122982 0.457732
H 4.940764 0.154436 -1.306223
H 5.713175 -1.273323 -0.558838
H 0.275316 1.323497 2.213711
H 1.910801 2.011595 2.469018
H 0.177574 3.874088 2.289085
H 1.321102 3.953274 0.913283
H -0.314810 3.255047 0.682381


