%chk=000016232.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016232

0 1
 I   -1.515100       3.862300     -0.1045000    
 S    2.391800      -2.010800     -0.2864000    
 O    2.754600      -3.170700      0.5181000    
 O    2.632500      -2.036700      -1.723100    
 O    2.149200       1.972700      0.9365000    
 O   -3.989100      0.3140000      -1.402100    
 O    1.475300       3.190300     -0.8977000    
 N    3.156700     -0.6304000      0.3699000    
 N   -3.354600     -0.8186000      0.5660000    
 C   0.7004000      -1.659300     -3.5500001E-02
 C    3.433600      0.5305000     -0.4882000    
 C   7.2899997E-02  -2.059100       1.144300    
 C  -2.3600001E-02 -0.9792000      -1.014600    
 C    3.432700       1.795400      0.3506000    
 C   -2.002700      -1.098500      0.3658000    
 C   -1.278700      -1.778800       1.345000    
 C   -1.375200     -0.6986000     -0.8140000    
 C   -4.237300     -0.1527000     -0.2950000    
 C    1.247000       2.700700      0.1991000    
 C   -5.622600     -5.2299999E-02  0.2923000    
 C  -4.7899999E-02   2.779900      0.9735000    
 H    2.674300      0.6073000      -1.272400    
 H    4.413000      0.3954000     -0.9575000    
 H    3.767900     -0.7522000       1.186700    
 H   0.6195000      -2.584000       1.922600    
 H   0.4463000     -0.6523000      -1.938000    
 H    3.732000       2.665800     -0.2449000    
 H    4.153800       1.710600       1.171300    
 H   -1.754600      -2.094900       2.269800    
 H   -1.868100     -0.1660000      -1.615200    
 H   -3.738600      -1.142600       1.451300    
 H   -6.028800      -1.054600      0.4543000    
 H   -6.278000      0.4904000     -0.3945000    
 H   -5.583800      0.4851000       1.244100    
 H   0.1521000       3.273500       1.929900    
 H  -0.4003000       1.761900       1.166100    


%chk=000016232-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000016232

0 1
I -1.700887 3.570650 1.430125
S 2.502586 -2.060028 -0.290258
O 2.937168 -3.197458 0.788479
O 2.800286 -2.230744 -1.886284
O 2.377372 2.175089 1.181485
O -4.135932 -0.312759 -1.832695
O 0.893212 2.649526 -0.560991
N 3.273563 -0.506425 0.389481
N -3.370403 -0.632904 0.365005
C 0.687239 -1.629167 -0.107526
C 3.324987 0.625693 -0.563495
C 0.129263 -1.620999 1.182921
C -0.055262 -1.354256 -1.266140
C 3.473553 1.955062 0.198945
C -2.013219 -0.980448 0.154183
C -1.232351 -1.291609 1.307318
C -1.420265 -1.025150 -1.138864
C -4.346514 -0.295906 -0.588027
C 1.114662 2.454853 0.649838
C -5.683106 0.128800 0.011809
C 0.116687 2.405510 1.796327
H 2.384897 0.649745 -1.141158
H 4.154606 0.553569 -1.297915
H 4.191678 -0.802343 0.768449
H 0.737303 -1.873442 2.056898
H 0.423449 -1.404734 -2.249727
H 3.481219 2.787813 -0.527965
H 4.381648 1.979395 0.821307
H -1.697342 -1.286301 2.301241
H -2.029385 -0.799277 -2.015155
H -3.667788 -0.588347 1.342406
H -5.865484 -0.281872 1.020583
H -6.492644 -0.193542 -0.660883
H -5.718694 1.232200 0.073627
H 0.566586 2.779373 2.725729
H -0.216087 1.363930 1.934528


