%chk=000044723.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044723

0 1
 S   -1.283900      -1.638600      0.9446000    
 O    4.311300     -0.3105000     -0.3732000    
 O   -1.230700      -2.986400       1.492100    
 O   -1.870600     -0.5763000       1.748600    
 N   -1.530500       1.136900      0.1650000    
 N   -2.072800      -1.684900     -0.5919000    
 C  -0.2338000       1.297400      0.8060000    
 C   0.2816000       2.695200      0.4271000    
 C   0.7568000      0.1889000      0.4811000    
 C   -2.456300       2.218900      0.4991000    
 C   -1.437700       1.153800      -1.294500    
 C    1.720300       2.881300      0.8874000    
 C   -3.550300       2.067500     -0.5476000    
 C   -2.881800       1.364300      -1.724900    
 C    2.109500      0.4788000      0.2052000    
 C    2.626900       1.895000      0.1599000    
 C   0.3573000      -1.159100      0.5351000    
 C    3.004300     -0.5676000     -7.4800000E-02
 C    1.259300      -2.190100      0.2677000    
 C    2.580800      -1.894200     -4.4399999E-02
 C   -1.536100      -2.618400      -1.614600    
 C   -3.557000      -1.639300     -0.6058000    
 C    4.633300     -0.1123000      -1.747100    
 H  -0.3471000       1.292300       1.899800    
 H  -0.2732000       3.481400      0.9500000    
 H   0.2779000       2.943600     -0.6349000    
 H   -2.080900       3.237500      0.3811000    
 H   -2.858000       2.118400       1.512500    
 H   -1.021300      0.2454000      -1.734500    
 H  -0.8711000       1.978300      -1.730600    
 H    1.787500       2.726100       1.971800    
 H    2.055300       3.906000      0.6891000    
 H   -3.967200       3.036800     -0.8410000    
 H   -4.375100       1.457100     -0.1641000    
 H   -3.398900      0.4480000      -1.995300    
 H   -2.920100       2.004000      -2.615000    
 H    3.623700       1.954000      0.6126000    
 H    2.716100       2.198100     -0.8904000    
 H   0.9588000      -3.233700      0.2898000    
 H    3.277500      -2.700500     -0.2563000    
 H  -0.5176000      -2.341000      -1.893300    
 H   -2.134100      -2.570700      -2.530400    
 H   -1.557000      -3.646900      -1.243900    
 H   -3.928300     -0.8083000     -4.6999999E-03
 H   -3.950600      -2.570800     -0.1854000    
 H   -3.945500      -1.546000      -1.623000    
 H    5.682700      0.1877000      -1.812800    
 H    4.017100      0.6747000      -2.191700    
 H    4.502200      -1.045700      -2.303800    


%chk=000044723-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044723

0 1
S -1.265081 -1.757662 0.934486
O 4.424018 -0.219279 -0.553244
O -0.977278 -3.308114 1.392201
O -1.985963 -0.785498 2.029154
N -1.354676 1.273472 -0.151347
N -2.378805 -1.848187 -0.696063
C -0.196669 1.359785 0.770873
C 0.430906 2.786683 0.868195
C 0.814585 0.263004 0.396846
C -2.570562 2.023845 0.256718
C -1.145056 1.497965 -1.597862
C 1.906550 2.757392 1.304620
C -3.456541 2.067049 -1.028391
C -2.585596 1.410907 -2.146864
C 2.175118 0.564597 0.086621
C 2.720810 1.975723 0.255866
C 0.445183 -1.104657 0.371571
C 3.057760 -0.489113 -0.287838
C 1.322326 -2.154243 0.050647
C 2.646412 -1.835540 -0.306121
C -2.198861 -3.213575 -1.266145
C -3.783041 -1.595174 -0.262275
C 4.707814 0.346689 -1.884817
H -0.603408 1.089809 1.766593
H -0.170372 3.394082 1.568722
H 0.370833 3.283715 -0.120957
H -2.338021 3.065291 0.583272
H -3.046879 1.505412 1.109203
H -0.483690 0.719365 -2.017599
H -0.698653 2.497546 -1.836257
H 2.007208 2.271429 2.295176
H 2.300114 3.786837 1.402793
H -3.709211 3.111279 -1.285344
H -4.407297 1.523675 -0.891722
H -2.846119 0.346065 -2.263420
H -2.697075 1.915496 -3.122792
H 3.787975 1.907025 0.535125
H 2.677794 2.529256 -0.706096
H 0.983155 -3.191356 0.132320
H 3.371887 -2.613855 -0.559282
H -1.145766 -3.364217 -1.555170
H -2.816631 -3.248562 -2.183482
H -2.508282 -4.034315 -0.587211
H -3.802401 -0.706267 0.387183
H -4.250178 -2.447091 0.276731
H -4.368699 -1.381624 -1.176156
H 5.799562 0.479996 -1.922223
H 4.207476 1.323460 -2.029674
H 4.386026 -0.352419 -2.680862


