%chk=000025723.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025723

0 1
 S   -4.611900      -2.363100       1.474100    
 O   -8.876400       2.021700     -5.5799998E-02
 O   -8.939900      0.6036000       1.618700    
 N   0.2723000     -0.1467000     -0.2832000    
 N   -8.372900       1.082700      0.6069000    
 C    5.277100      0.2611000      9.8200001E-02
 C    6.635000     -0.3228000     -0.2992000    
 C    4.094300     -0.4553000     -0.5627000    
 C    7.819500      0.4002000      0.3510000    
 C    2.732300      7.6899998E-02 -0.1034000    
 C    9.208600     -0.1244000     -2.5800001E-02
 C    1.555700     -0.6823000     -0.7210000    
 C    10.35270      0.6698000      0.6077000    
 C  -0.8307000     -0.8776000     -0.8913000    
 C    11.71220      0.1603000      0.1274000    
 C   -2.168100     -0.2999000     -0.4308000    
 C   -3.340700      -1.042200      -1.076900    
 C   -4.668000     -0.5077000     -0.6034000    
 C    12.85460      0.9240000      0.7781000    
 C   -5.315500      -1.025000      0.5186000    
 C   -5.248100      0.5364000      -1.323900    
 C   -6.543200     -0.4983000      0.9200000    
 C   -6.475800       1.062900     -0.9225000    
 C   -7.123300      0.5456000      0.1993000    
 H    5.169500      0.2039000       1.188400    
 H    5.246400       1.324600     -0.1681000    
 H    6.669000      -1.383800     -2.3300000E-02
 H    6.742600     -0.2753000      -1.389800    
 H    4.174300     -0.3569000      -1.652100    
 H    4.153800      -1.526900     -0.3354000    
 H    7.764600       1.464000      8.6400002E-02
 H    7.709000      0.3476000       1.441600    
 H    2.658800       1.141000     -0.3619000    
 H    2.672300      1.1300000E-02  0.9905000    
 H    9.286800      -1.177500      0.2709000    
 H    9.310200     -9.5500000E-02  -1.117800    
 H    1.631400     -0.6159000      -1.813300    
 H    1.633500      -1.741800     -0.4474000    
 H    10.24900       1.731300      0.3523000    
 H    10.28950      0.5921000       1.699700    
 H  -0.7803000      -1.938500     -0.6173000    
 H  -0.7683000     -0.8088000      -1.984200    
 H   0.2054000     -0.1995000      0.7329000    
 H   -2.219400      0.7665000     -0.6879000    
 H   -2.238400     -0.3613000      0.6626000    
 H    11.78500      0.2618000     -0.9616000    
 H    11.81420     -0.9058000      0.3617000    
 H   -3.279900     -0.9291000      -2.168300    
 H   -3.261300      -2.122600     -0.9136000    
 H    12.82980      0.8145000       1.867100    
 H    13.81680      0.5443000      0.4204000    
 H    12.79990       1.990800      0.5384000    
 H   -4.754700      0.9521000      -2.198700    
 H   -7.040400     -0.9109000       1.795400    
 H   -6.897300       1.876200      -1.507700    
 H   -5.289500      -2.136100       2.609200    


%chk=000025723-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000025723

0 1
S -4.464759 -2.154414 1.599964
O -9.000265 2.172381 -0.000246
O -8.900640 0.879410 1.876486
N 0.277065 -0.349053 -0.362566
N -8.431726 1.280191 0.740282
C 5.297806 0.176351 0.135314
C 6.696946 -0.295058 -0.320791
C 4.142377 -0.572114 -0.566608
C 7.854002 0.448378 0.383807
C 2.744875 -0.089466 -0.118442
C 9.253144 -0.020645 -0.075354
C 1.596538 -0.846222 -0.813066
C 10.410929 0.722468 0.628480
C -0.885245 -1.024433 -0.971842
C 11.810047 0.252406 0.168906
C -2.202554 -0.369847 -0.510647
C -3.445350 -1.068010 -1.136693
C -4.753916 -0.483088 -0.641787
C 12.960582 1.001397 0.875632
C -5.332407 -0.874610 0.604434
C -5.428653 0.503734 -1.407655
C -6.534619 -0.295023 1.057938
C -6.630185 1.097226 -0.978142
C -7.165500 0.680210 0.258053
H 5.206770 0.043443 1.233876
H 5.197904 1.265375 -0.054902
H 6.795018 -1.385291 -0.134618
H 6.789165 -0.158452 -1.418823
H 4.239327 -0.444469 -1.665199
H 4.239519 -1.660525 -0.369995
H 7.754990 1.538778 0.199605
H 7.763723 0.310085 1.481791
H 2.630996 0.992477 -0.325038
H 2.652676 -0.212926 0.982233
H 9.352389 -1.111136 0.108813
H 9.343432 0.117780 -1.173384
H 1.663499 -0.689925 -1.908844
H 1.724013 -1.946440 -0.640256
H 10.313835 1.813068 0.444027
H 10.322368 0.584858 1.726732
H -0.923078 -2.122791 -0.747529
H -0.793064 -0.932637 -2.073282
H 0.211879 -0.348053 0.666124
H -2.189090 0.700561 -0.786999
H -2.271325 -0.416889 0.594653
H 11.897295 0.388954 -0.928559
H 11.906878 -0.836988 0.354621
H -3.390656 -0.971532 -2.237500
H -3.399887 -2.151224 -0.904538
H 12.913187 0.856564 1.971642
H 13.949233 0.646541 0.530399
H 12.904452 2.088980 0.679581
H -4.991842 0.805162 -2.366261
H -7.002003 -0.572204 2.007581
H -7.150999 1.854936 -1.568151
H -5.446995 -2.282549 2.565945


