%chk=000021721.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021721

0 1
 S   -2.014400       1.966300     -0.7800000    
 O   -1.806200       2.864500      0.5722000    
 O   -1.246500       2.559500      -1.860100    
 O   -3.437100       1.707100     -0.9225000    
 C   -2.447600      -3.089000      0.2423000    
 C    4.408600     -0.1803000      0.1045000    
 C   -1.545700      -1.915300      5.8800001E-02
 C    2.932500     -1.5400000E-02 -3.0800000E-02
 C   0.6979000     -0.9759000      1.6400000E-02
 C   0.1528000      0.2947000     -0.2860000    
 C  -0.1651000      -2.070900      0.1858000    
 C   -1.239200      0.4329000     -0.4101000    
 C    2.090000      -1.114100      0.1406000    
 C   -2.081700     -0.6658000     -0.2386000    
 C   -2.296700      -3.700400       1.669700    
 C   -2.126900      -4.215600     -0.7883000    
 C   -3.975300      -2.794400      7.4800000E-02
 C    2.396500       1.234000     -0.3282000    
 C    4.976200      0.7210000       1.244500    
 C    5.145000      0.2100000      -1.214500    
 C    4.894400      -1.629800      0.4389000    
 C    1.015900       1.389500     -0.4553000    
 C   -2.323500       4.185800      0.6103000    
 C   -2.004100       4.801700       1.955700    
 H   0.2583000      -3.045800      0.4184000    
 H    2.476600      -2.101900      0.3731000    
 H   -3.151500     -0.5348000     -0.3344000    
 H   -2.980600      -4.544500       1.816100    
 H   -1.282300      -4.071800       1.851400    
 H   -2.517200      -2.951200       2.439200    
 H   -1.108100      -4.600700     -0.6710000    
 H   -2.808600      -5.066500     -0.6740000    
 H   -2.223300      -3.842700      -1.814900    
 H   -4.570100      -3.704000      0.2232000    
 H   -4.327300      -2.060900      0.8097000    
 H   -4.206400      -2.423600     -0.9307000    
 H    3.029700       2.107300     -0.4565000    
 H    4.811000       1.785500       1.045600    
 H    4.497000      0.4852000       2.202100    
 H    6.056500      0.5789000       1.364700    
 H    4.983100       1.261100      -1.477900    
 H    6.227600      6.2300000E-02  -1.125600    
 H    4.789700     -0.3996000      -2.053600    
 H    4.607500      -2.341000     -0.3445000    
 H    5.987400      -1.670000      0.5218000    
 H    4.488800      -1.979400       1.395500    
 H   0.6775000       2.401700     -0.6384000    
 H   -1.869100       4.778400     -0.1904000    
 H   -3.407600       4.158500      0.4591000    
 H   -2.388900       5.823400       2.019200    
 H   -2.441700       4.208000       2.765100    
 H  -0.9222000       4.820200       2.123800    


%chk=000021721-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021721

0 1
S -2.116796 2.025501 -0.945994
O -1.884874 2.849946 0.716927
O -1.311000 2.909654 -2.044626
O -3.694993 1.740550 -1.189090
C -2.516007 -3.173784 0.254651
C 4.533435 -0.207747 0.116267
C -1.595892 -1.948529 0.038069
C 3.003775 -0.063525 -0.044108
C 0.691645 -0.962125 -0.014343
C 0.165829 0.342131 -0.373606
C -0.203701 -2.060783 0.179548
C -1.253279 0.406697 -0.498096
C 2.109909 -1.121705 0.142400
C -2.121124 -0.661954 -0.306222
C -2.335796 -3.697187 1.711770
C -2.119661 -4.296462 -0.751079
C -4.012367 -2.831213 0.039241
C 2.453685 1.217610 -0.408012
C 5.027422 0.773977 1.222299
C 5.225197 0.146861 -1.235510
C 4.954588 -1.644367 0.516417
C 1.086329 1.423294 -0.569178
C -2.381510 4.252994 0.731860
C -2.009864 4.791282 2.116323
H 0.237131 -3.028743 0.447939
H 2.477695 -2.115607 0.416819
H -3.195540 -0.501830 -0.430804
H -2.978880 -4.581325 1.878702
H -1.291073 -3.994743 1.913546
H -2.616363 -2.921366 2.447233
H -1.068509 -4.611054 -0.621268
H -2.760046 -5.185255 -0.598865
H -2.245559 -3.954231 -1.794369
H -4.623664 -3.736981 0.203423
H -4.365359 -2.059077 0.747432
H -4.210887 -2.477275 -0.989127
H 3.131192 2.063465 -0.568855
H 4.788863 1.824244 0.976967
H 4.559377 0.538944 2.195652
H 6.124679 0.695114 1.336425
H 4.990994 1.176110 -1.560403
H 6.323538 0.066810 -1.131573
H 4.901485 -0.542820 -2.036291
H 4.658524 -2.386705 -0.247922
H 6.053977 -1.691813 0.618840
H 4.514985 -1.944554 1.485623
H 0.708428 2.405681 -0.865146
H -1.888753 4.829638 -0.074462
H -3.476975 4.258435 0.574309
H -2.354476 5.837958 2.210411
H -2.486918 4.192318 2.910282
H -0.917215 4.765744 2.265776


