%chk=000130737.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130737

0 1
 S    4.046800     -0.9844000     -7.1999997E-02
 O   0.7139000       2.860500      1.5200000E-02
 O   -3.135800      -1.381700     -0.6730000    
 O   -2.929500      9.3300000E-02   1.052600    
 N    1.507300      0.7111000     -2.6500000E-02
 N  -0.7914000       1.152300     -0.2447000    
 C    1.322300     -0.7204000     -0.2447000    
 C  -7.2300002E-02  -1.147800      0.2080000    
 C   -1.091600     -0.2496000     -0.4731000    
 C    2.404400      -1.517000      0.4744000    
 C   0.4916000       1.652000     -8.7300003E-02
 C   -2.465900     -0.4682000      7.1099997E-02
 H    1.405100     -0.8774000      -1.328700    
 H  -0.1593000      -1.058600       1.299600    
 H  -0.2582000      -2.199200     -4.1600000E-02
 H   -1.093100     -0.3892000      -1.560300    
 H    2.458200       1.060100      4.7899999E-02
 H    2.296500      -2.587400      0.2722000    
 H    2.345400      -1.369500       1.558300    
 H   -1.548000       1.827400     -0.3115000    
 H    4.745800      -1.826600      0.7029000    
 H   -4.041200      -1.540600     -0.3304000    


%chk=000130737-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000130737

0 1
S 4.144817 -1.384108 -0.092754
O 0.978367 2.814151 0.270685
O -2.951330 -1.664504 -0.310724
O -3.297907 0.497176 0.475764
N 1.591611 0.591198 -0.095960
N -0.686332 1.214099 -0.077515
C 1.319894 -0.834641 -0.345778
C -0.115512 -1.172403 0.119870
C -1.099563 -0.130497 -0.470747
C 2.337714 -1.724296 0.398226
C 0.646227 1.612606 0.041841
C -2.544276 -0.358444 -0.032113
H 1.403222 -1.055660 -1.433634
H -0.172134 -1.137651 1.223827
H -0.394962 -2.183443 -0.218920
H -1.099128 -0.252485 -1.578898
H 2.560027 0.909407 -0.172830
H 2.173356 -2.785395 0.148321
H 2.252765 -1.591738 1.488844
H -1.400564 1.917706 0.118780
H 4.410690 -0.461240 0.906073
H -3.905982 -1.780739 -0.053960


