%chk=000039583.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039583

0 1
 S   -3.140100       3.126800     -0.8485000    
 O  -0.5903000      -4.482200      0.1127000    
 O   -2.556400      -3.186500     -0.3847000    
 O  -0.1730000       3.068100     -0.9207000    
 N   0.2023000      0.9534000     -0.2169000    
 N    4.338800      0.6242000     -0.1370000    
 C    2.082800     -0.2522000      0.1157000    
 C    1.578800       1.014700     -7.7299997E-02
 C    2.435400       2.239500     -9.4800003E-02
 C    3.534500     -0.5210000      0.3457000    
 C   0.9956000      -1.158500      7.1000002E-02
 C    3.851200       1.902900      0.4200000    
 C  -0.1684000     -0.3999000     -0.1747000    
 C   0.9148000      -2.565700      0.1972000    
 C   -1.415900      -1.031900     -0.3708000    
 C    5.748800      0.4226000      0.1961000    
 C  -0.3273000      -3.148200      3.7000000E-02
 C  -0.6491000       2.067900     -0.3911000    
 C   -1.445100      -2.409600     -0.2436000    
 C   -2.054900       2.146400      3.8899999E-02
 C   -2.007300      -4.498400     -0.1502000    
 C   -2.666400       1.520800       1.100000    
 C   -4.049700       1.850800       1.187300    
 C   -4.439200       2.716000      0.1886000    
 H    2.502700       2.611700      -1.124200    
 H    2.007100       3.030300      0.5304000    
 H    3.699000     -0.6964000       1.416700    
 H    3.828300      -1.426100     -0.1988000    
 H    4.517500       2.725500      0.1319000    
 H    3.847400       1.861400       1.517900    
 H    1.796500      -3.166400      0.3947000    
 H   -2.312000     -0.4881000     -0.6386000    
 H    6.119800     -0.5080000     -0.2477000    
 H    5.916400      0.3805000       1.278400    
 H    6.360700       1.232300     -0.2165000    
 H   -2.193700      -5.120300      -1.033200    
 H   -2.519400      -4.945400      0.7098000    
 H   -2.156800      0.8708000       1.800000    
 H   -4.723800       1.476300       1.946500    
 H   -5.424200       3.127400      1.9099999E-02


%chk=000039583-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039583

0 1
S -3.206218 3.221789 -0.908434
O -0.649880 -4.592930 0.242255
O -2.620269 -3.331795 -0.258153
O -0.177242 2.966678 -1.385937
N 0.146167 0.917801 -0.300422
N 4.338369 0.672317 -0.031451
C 2.069801 -0.263938 0.104840
C 1.568713 0.996611 -0.160773
C 2.400965 2.244833 -0.205876
C 3.534243 -0.517225 0.342769
C 0.966002 -1.204765 0.102162
C 3.757826 1.940540 0.475495
C -0.235561 -0.456265 -0.158901
C 0.928143 -2.621750 0.254292
C -1.497118 -1.080168 -0.340013
C 5.758889 0.502968 0.320157
C -0.322096 -3.215028 0.102314
C -0.655921 2.041438 -0.664202
C -1.491635 -2.467517 -0.193301
C -2.017043 2.117293 -0.104647
C -2.039336 -4.698355 -0.268077
C -2.544939 1.586994 1.074160
C -3.886674 2.015977 1.348875
C -4.389688 2.880252 0.382535
H 2.561035 2.562354 -1.251865
H 1.901981 3.089838 0.305081
H 3.695460 -0.802544 1.418677
H 3.881989 -1.377004 -0.264763
H 4.469450 2.755417 0.250594
H 3.617594 1.915087 1.587824
H 1.825080 -3.210224 0.461017
H -2.412891 -0.538668 -0.576262
H 6.150696 -0.416065 -0.152736
H 5.940511 0.424315 1.423039
H 6.343091 1.357879 -0.063609
H -2.013982 -5.071199 -1.310938
H -2.622629 -5.340613 0.407778
H -1.978491 0.915162 1.722874
H -4.456241 1.699696 2.225478
H -5.372749 3.346314 0.334444


