%chk=000012811.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012811

0 1
 S   -2.461800      -1.584200      0.3916000    
 O   0.6405000       1.856000      7.1800001E-02
 O    2.576000     -0.4053000      -1.406700    
 N  -0.1809000     -0.3009000      0.5355000    
 N   -2.113200      0.8888000     -0.2759000    
 C    2.147800      0.2018000      0.8859000    
 C   0.7798000      0.6981000      0.4560000    
 C    2.998200     -0.3150000     -0.2549000    
 C   -1.527500     -0.1743000      0.1834000    
 C    4.401500     -0.7351000      9.5700003E-02
 C   -3.818600     -0.7107000     -0.1892000    
 C   -3.441800      0.5807000     -0.4933000    
 H    2.044200     -0.5951000       1.630300    
 H    2.672500       1.038500       1.360600    
 H   8.6700000E-02  -1.222900      0.8696000    
 H    4.945900      0.1166000      0.5109000    
 H    4.919100      -1.080000     -0.8037000    
 H    4.368600      -1.552200      0.8205000    
 H   -4.793800      -1.167500     -0.2785000    
 H   -4.103700       1.344100     -0.8795000    


%chk=000012811-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000012811

0 1
S -2.220971 -1.539232 -0.911865
O 0.457016 2.015791 0.878873
O 2.110199 -1.774267 -0.196391
N -0.054130 -0.217538 0.277408
N -2.254538 0.832910 0.361228
C 2.241443 0.358862 0.999479
C 0.790117 0.819291 0.699909
C 2.830512 -0.814470 0.214793
C -1.421137 -0.128953 0.021918
C 4.322816 -0.786534 -0.041178
C -3.760712 -0.627436 -0.741535
C -3.560995 0.563068 -0.066066
H 2.265353 0.071750 2.073330
H 2.884558 1.249977 0.910154
H 0.438433 -1.111282 0.073018
H 4.553033 -0.002867 -0.789512
H 4.666260 -1.759078 -0.424744
H 4.878496 -0.521407 0.877036
H -4.683898 -1.036783 -1.144574
H -4.342353 1.289600 0.158819


