%chk=000100136.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100136

0 1
 S    2.679900      -3.318700      0.2106000    
 O   0.2941000       1.309100       1.666500    
 O   -1.980000      -1.841700     -0.9468000    
 O   -3.815000      -1.405000      0.2922000    
 O    4.022500       2.238700      -1.200500    
 N  -0.6588000      0.2711000     -0.1765000    
 N    2.734600       1.395100      0.5603000    
 C   -2.766200       1.513600     -2.3800001E-02
 C   -2.007900      0.2178000      0.3359000    
 C    1.718600      0.7201000     -0.2053000    
 C    2.108200     -0.7274000     -0.5347000    
 C   0.3928000      0.8202000      0.5429000    
 C   -4.121800       1.606200      0.6820000    
 C   -2.940000       1.711800      -1.532800    
 C   -2.706800      -1.064800     -0.1063000    
 C    2.227500      -1.627000      0.6977000    
 C    3.783800       2.086200     -9.3999999E-03
 C    1.034500      -3.905300     -0.2520000    
 H   -2.166100       2.359600      0.3397000    
 H   -1.928300      0.1442000       1.428600    
 H    1.598000       1.266100      -1.150200    
 H  -0.4957000     -7.2400004E-02  -1.118200    
 H    3.069000     -0.7167000      -1.067300    
 H    1.375600      -1.146200      -1.233900    
 H   -4.849400      0.9004000      0.2706000    
 H   -4.543000       2.610800      0.5634000    
 H   -4.020100       1.415400       1.755200    
 H   -3.540400      0.9104000      -1.975900    
 H   -3.445600       2.661200      -1.740300    
 H   -1.973400       1.736600      -2.045700    
 H    1.303300      -1.650900       1.282900    
 H    3.020000      -1.255500       1.355400    
 H    2.688400       1.347000       1.574400    
 H    4.433300       2.514900      0.7714000    
 H   -2.454200      -2.666300      -1.186400    
 H   0.3384000      -3.802000      0.5845000    
 H   0.6543000      -3.359600      -1.118600    
 H    1.096300      -4.964300     -0.5173000    


%chk=000100136-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100136

0 1
S 2.880958 -3.347245 0.621686
O 0.194461 1.322360 1.522595
O -2.262552 -1.490113 -1.508143
O -3.922189 -1.429791 0.116267
O 4.281187 1.690849 -1.145826
N -0.696850 0.219403 -0.316373
N 2.651268 1.487874 0.513247
C -2.817526 1.556281 0.027191
C -2.059094 0.188343 0.241032
C 1.729514 0.689610 -0.302361
C 2.209229 -0.788365 -0.480822
C 0.345817 0.779740 0.378793
C -4.073512 1.654627 0.919771
C -3.142239 1.818511 -1.459936
C -2.852189 -0.976887 -0.334677
C 2.280801 -1.567491 0.841822
C 3.846652 1.949925 0.015099
C 1.334510 -4.101954 -0.144838
H -2.087247 2.313649 0.373070
H -1.980336 0.038755 1.334729
H 1.679935 1.138405 -1.315514
H -0.544746 -0.233267 -1.220466
H 3.204827 -0.755407 -0.956609
H 1.529986 -1.301607 -1.190033
H -4.825538 0.891966 0.652012
H -4.537608 2.650997 0.805252
H -3.819161 1.520365 1.987262
H -3.919129 1.124393 -1.833042
H -3.528345 2.845622 -1.586331
H -2.247650 1.715332 -2.100829
H 1.302618 -1.608281 1.354603
H 3.010867 -1.108572 1.529775
H 2.283627 1.790285 1.425023
H 4.401214 2.582748 0.744112
H -2.828135 -2.221309 -1.875581
H 0.462721 -3.919010 0.504954
H 1.153086 -3.702688 -1.155412
H 1.521166 -5.185353 -0.209202


