%chk=000051193.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051193

0 1
 S    2.935900     -0.6969000     -0.8570000    
 O  -0.6295000       2.627900     -0.5885000    
 O   -1.179600       1.726300       1.452500    
 O   -2.786200      -1.986400      -1.137200    
 N   -1.552800     -0.7609000      0.4113000    
 C   -1.089400      0.2750000     -0.4779000    
 C   0.2576000     -9.8099999E-02  -1.110700    
 C    1.361100     -0.2578000     -6.4700000E-02
 C  -0.9752000       1.609300      0.2483000    
 C   -2.365100      -1.807200      2.6000000E-03
 C   -2.679500      -2.760200       1.124400    
 C  -0.5046000       3.918200      1.8800000E-02
 C    3.953100     -0.7484000      0.5283000    
 C    5.254400      -1.040700      0.4500000    
 H   -1.840300      0.4008000      -1.267400    
 H   0.5457000      0.6705000      -1.839300    
 H   0.1402000      -1.037000      -1.668000    
 H    1.104400      -1.045700      0.6510000    
 H    1.505400      0.6747000      0.4905000    
 H   -1.252800     -0.7246000       1.381600    
 H   -3.477600      -3.441300      0.8165000    
 H   -1.785800      -3.340000       1.370800    
 H   -3.011800      -2.208800       2.008700    
 H   0.2821000       3.903500      0.7791000    
 H   -1.459700       4.225500      0.4553000    
 H  -0.2275000       4.634400     -0.7592000    
 H    3.524200     -0.5369000       1.502600    
 H    5.862500      -1.063300       1.348400    
 H    5.744900      -1.262200     -0.4923000    


%chk=000051193-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000051193

0 1
S 2.982940 -0.732029 -0.932221
O -0.750770 2.671417 -0.611572
O -1.214041 1.799815 1.497904
O -2.246486 -2.168854 -1.187868
N -1.608896 -0.698228 0.486651
C -1.110826 0.300016 -0.466904
C 0.267781 -0.079770 -1.096669
C 1.389593 -0.192238 -0.054789
C -1.044690 1.641893 0.263608
C -2.179619 -1.881959 0.047941
C -2.712594 -2.805035 1.138026
C -0.628715 4.025643 -0.010446
C 4.065504 -0.916179 0.521107
C 5.405201 -1.112632 0.451871
H -1.826769 0.379980 -1.307892
H 0.519574 0.685984 -1.852372
H 0.125411 -1.042436 -1.618591
H 1.147293 -0.954536 0.705384
H 1.588853 0.774128 0.440320
H -1.630266 -0.422060 1.472961
H -3.784134 -2.995510 0.955380
H -2.194075 -3.777243 1.073789
H -2.588394 -2.400082 2.156985
H 0.167211 4.030877 0.752464
H -1.584264 4.318864 0.454584
H -0.377512 4.681738 -0.854467
H 3.538407 -0.884187 1.483193
H 5.988761 -1.251825 1.368034
H 5.949623 -1.145849 -0.497911


