%chk=000078536.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078536

0 1
 S    2.056700       1.783200     -3.2299999E-02
 O   -2.033200      8.7399997E-02  0.1863000    
 O   -1.201300      -1.853100     -0.7092000    
 N  -0.5522000       2.228500     -0.4228000    
 C    1.513100     -0.7252000      8.3099999E-02
 C   0.2715000     -6.1400000E-02 -0.1364000    
 C    2.566200      0.1596000      0.1597000    
 C   0.4231000       1.305200     -0.2189000    
 C    1.657500      -2.196700      0.2150000    
 C   -1.008900     -0.7144000     -0.2611000    
 C    4.002700     -0.1225000      0.3782000    
 C   -3.356300     -0.4557000      0.1127000    
 C   -4.338800      0.5652000      0.6457000    
 H   0.9228000      -2.598600      0.9208000    
 H    1.509400      -2.682300     -0.7552000    
 H    2.645700      -2.487500      0.5844000    
 H    4.160300     -0.5413000       1.377800    
 H    4.367100     -0.8476000     -0.3573000    
 H    4.629300      0.7715000      0.2916000    
 H   -3.595100     -0.6912000     -0.9302000    
 H   -3.408000      -1.370000      0.7140000    
 H   -1.528300       1.978600     -0.5442000    
 H  -0.3400000       3.220000     -0.4680000    
 H   -5.362300      0.1824000      0.6040000    
 H   -4.100000      0.8249000       1.682300    
 H   -4.283500       1.492100      6.5399997E-02


%chk=000078536-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000078536

0 1
S 2.140614 1.877997 0.161976
O -2.115414 0.163948 0.105580
O -1.195154 -1.981534 0.056958
N -0.575858 2.322482 0.149319
C 1.580349 -0.732767 0.111862
C 0.282390 -0.035525 0.113750
C 2.670253 0.114407 0.135063
C 0.411475 1.372344 0.140034
C 1.699882 -2.241681 0.088425
C -0.996478 -0.737624 0.088939
C 4.149889 -0.150144 0.142896
C -3.454405 -0.485767 0.080784
C -4.496734 0.626577 0.169796
H 1.189912 -2.692070 0.957786
H 1.206472 -2.663723 -0.804295
H 2.754887 -2.562085 0.093610
H 4.638721 0.257974 1.048585
H 4.346259 -1.235115 0.121594
H 4.654710 0.295814 -0.735733
H -3.542926 -1.069725 -0.853063
H -3.518100 -1.189688 0.929714
H -1.538636 1.970165 0.137846
H -0.365448 3.316213 0.166577
H -5.511221 0.188123 0.155919
H -4.384712 1.201100 1.106103
H -4.413227 1.321402 -0.684625


