%chk=000159651.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159651

0 1
 S  -0.1135000       2.594100      0.2306000    
 O  -0.2845000       3.159300      -1.094000    
 O   0.2566000       3.439800       1.348900    
 O   -2.127700      0.9719000      -1.489400    
 O    4.109300      -2.265800      -1.357100    
 O    4.717000      -2.127700      0.8288000    
 N   -3.399500      0.3406000      0.3359000    
 N   -1.503900       1.689300      0.6440000    
 C   -3.971500      -1.898100     -0.5142000    
 C   -4.374600     -0.4333000     -0.3814000    
 C   -3.819900      -2.591600      0.8415000    
 C    1.104000       1.316800      0.1308000    
 C   -3.477100      -4.064000      0.6769000    
 C   -2.341700      0.9890000     -0.2810000    
 C    1.821600      0.9767000       1.264600    
 C    1.318100      0.6798000      -1.079400    
 C    3.011500     -0.6835000     -2.5500000E-02
 C    2.782800     -3.1099999E-02   1.185900    
 C    2.279200     -0.3280000      -1.158200    
 C    4.013700      -1.734200     -0.1076000    
 H   -4.732400      -2.419100      -1.107800    
 H   -3.026600      -1.972200      -1.066900    
 H   -5.323000     -0.3454000      0.1590000    
 H   -4.515100      6.0000003E-04  -1.377400    
 H   -3.030700      -2.110200       1.430000    
 H   -4.751900      -2.501600       1.411500    
 H   -3.487400      0.4110000       1.345100    
 H   -1.778100       1.683900       1.634500    
 H   -2.533200      -4.188600      0.1366000    
 H   -3.373300      -4.540800       1.656600    
 H   -4.261900      -4.590400      0.1245000    
 H    1.653100       1.466600       2.218700    
 H   0.7557000      0.9398000      -1.970800    
 H    3.341400     -0.2946000       2.080300    
 H    2.424400     -0.8105000      -2.120700    
 H    4.787200      -2.973500      -1.401800    


%chk=000159651-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000159651

0 1
S -0.075314 2.497838 0.563490
O -0.300563 3.456170 -0.716273
O 0.165325 3.120180 2.047305
O -1.566078 0.475679 -1.246952
O 4.665341 -1.805309 -1.844439
O 5.362605 -1.774941 0.371035
N -3.435335 0.237952 0.147871
N -1.554784 1.444837 0.882957
C -3.998653 -2.159174 -0.444075
C -4.157352 -0.657800 -0.778160
C -4.577773 -2.564603 0.930235
C 1.307214 1.257543 0.200890
C -4.439526 -4.076950 1.209587
C -2.165914 0.703801 -0.154162
C 2.138742 0.917791 1.280727
C 1.470481 0.793101 -1.112902
C 3.411546 -0.461951 -0.293392
C 3.208477 0.038055 1.019166
C 2.549156 -0.083756 -1.355160
C 4.560052 -1.388416 -0.511151
H -4.507330 -2.739881 -1.240597
H -2.924904 -2.425586 -0.494362
H -5.227598 -0.374565 -0.763783
H -3.761342 -0.453238 -1.787429
H -4.059342 -1.999211 1.731667
H -5.648453 -2.275423 0.977774
H -3.859460 0.451406 1.050780
H -2.025209 1.737293 1.748257
H -3.377606 -4.385597 1.194410
H -4.856705 -4.346162 2.197008
H -4.972101 -4.671301 0.443590
H 1.961836 1.341667 2.274073
H 0.773143 1.090407 -1.899513
H 3.895478 -0.267447 1.814315
H 2.725160 -0.480799 -2.357796
H 5.444887 -2.416609 -1.933488


