%chk=000125449.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125449

0 1
 I    5.583800     -0.7250000      -1.462500    
 S  -0.2526000      0.5183000       1.387400    
 O  -0.5732000     -0.6039000       2.252600    
 O  -0.2736000       1.884800       1.883900    
 O   -1.565200      -2.278000      0.8110000    
 O   -3.103800      -2.587100     -0.7240000    
 N   -1.805100       1.657500     -0.5801000    
 N   -3.055900      3.1900000E-02  -1.431400    
 N   -2.308200      -1.823900     -0.1054000    
 C   -1.485200      0.5256000      8.3200000E-02
 C    1.288800      0.1903000      0.6364000    
 C   -2.249900     -0.4642000     -0.4377000    
 C   -2.763800       1.312200      -1.491500    
 C   -1.265600       2.984000     -0.3953000    
 C    2.079500       1.243800      0.1778000    
 C    1.729000      -1.125700      0.4937000    
 C    3.310300      0.9816000     -0.4238000    
 C    2.960000      -1.388000     -0.1078000    
 C    3.750800     -0.3343000     -0.5664000    
 H   -3.211400       2.027300      -2.168400    
 H  -0.1799000       2.955000     -0.4577000    
 H   -1.631800       3.624400      -1.204200    
 H   -1.627200       3.389600      0.5516000    
 H    1.772600       2.277800      0.2930000    
 H    1.134500      -1.964000      0.8425000    
 H    3.912800       1.817400     -0.7705000    
 H    3.284200      -2.420700     -0.2090000    


%chk=000125449-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125449

0 1
I 5.790466 -1.641041 -1.106240
S -0.092094 0.820167 1.242258
O -0.571771 -0.062853 2.515805
O 0.202961 2.423994 1.411827
O -0.659236 -1.987210 -0.020262
O -2.251695 -2.532579 -1.571862
N -2.212327 1.887603 -0.436980
N -3.082977 0.148869 -1.630243
N -1.637575 -1.693178 -0.824590
C -1.460426 0.755000 -0.102510
C 1.490684 0.083085 0.512393
C -2.035288 -0.296575 -0.843808
C -3.168539 1.464457 -1.362257
C -2.117847 3.278621 0.064365
C 2.267480 0.916595 -0.306713
C 1.878236 -1.200685 0.921283
C 3.501758 0.413787 -0.777521
C 3.121220 -1.688669 0.459680
C 3.913617 -0.883359 -0.391269
H -3.893859 2.145987 -1.800362
H -1.128926 3.704261 -0.154626
H -2.907634 3.862080 -0.435191
H -2.262719 3.306724 1.154254
H 1.946158 1.933986 -0.549995
H 1.239902 -1.797113 1.578082
H 4.130893 1.031802 -1.423242
H 3.453437 -2.687057 0.755122


