%chk=000160728.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000160728

0 1
 S   0.6166000     -0.1287000      3.2499999E-02
 O   -2.614100      -1.886900     -0.3269000    
 O   -2.800500     -0.4281000       1.400200    
 N   -3.063000       1.411000     -0.8834000    
 N    4.294400     -0.7884000      -1.086800    
 C   -2.005900      0.4102000     -0.7247000    
 C  -0.7271000       1.076100     -0.2131000    
 C    1.857300       1.002900      0.6986000    
 C   -2.521700     -0.6520000      0.2280000    
 C    3.167700      0.2945000       1.029600    
 C    3.796300     -0.3106000     -0.1540000    
 H   -1.817300     -4.8700001E-02  -1.703000    
 H  -0.3858000       1.833500     -0.9277000    
 H  -0.9152000       1.572000      0.7464000    
 H    2.038400       1.796900     -3.4499999E-02
 H    1.461800       1.464900       1.609400    
 H   -3.877100      0.9812000      -1.321600    
 H   -2.749700       2.140700      -1.522500    
 H    3.000500     -0.4733000       1.794700    
 H    3.860400       1.023100       1.467300    
 H   -2.934300      -2.554300      0.3168000    


%chk=000160728-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000160728

0 1
S 0.979352 0.504277 -1.008050
O -3.030155 -1.304590 0.440767
O -1.284075 -0.225753 1.515003
N -3.148884 1.091704 -1.032155
N 5.005841 0.425678 -0.526124
C -1.874495 0.361820 -0.846183
C -0.702158 1.360964 -0.845750
C 1.662557 0.778580 0.742554
C -1.977878 -0.381191 0.489408
C 2.876924 -0.146611 0.977558
C 4.048082 0.169751 0.137761
H -1.679508 -0.413149 -1.626246
H -0.790668 2.033787 -1.715496
H -0.706577 1.969147 0.072504
H 1.945776 1.838148 0.849165
H 0.856385 0.520490 1.447008
H -3.981530 0.501981 -0.938507
H -3.166949 1.680792 -1.869705
H 2.584010 -1.199097 0.802361
H 3.182892 -0.068084 2.039012
H -3.117243 -1.762646 1.320417


