%chk=000119474.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000119474

0 1
 S   0.1154000     -0.6705000      0.8288000    
 O   -3.374600      -2.073300      0.6813000    
 O   -2.293300      -2.717500      -1.204500    
 O    2.533200      -2.533500      0.6093000    
 O    3.715300       2.742800     -0.4714000    
 O   -3.312100       2.324200     -0.9694000    
 N   -2.920900      0.4663000      0.3785000    
 C   -2.283500     -0.3666000     -0.6104000    
 C  -0.7722000     -0.1306000     -0.6700000    
 C    1.800400     -0.2490000      0.4046000    
 C   -2.632700      -1.834200     -0.4265000    
 C    2.798000      -1.221900      0.3462000    
 C    2.107900       1.083400      0.1298000    
 C   -3.382400       1.746100      0.1120000    
 C    3.413900       1.442900     -0.2032000    
 C    4.103900     -0.8623000      1.3300000E-02
 C    4.411800      0.4700000     -0.2615000    
 C   -4.028100       2.383800       1.313000    
 H   -2.711700     -8.3899997E-02  -1.581100    
 H  -0.5798000      0.9341000     -0.8383000    
 H  -0.3504000     -0.6816000      -1.518300    
 H   -3.022400      9.4300002E-02   1.318700    
 H    1.342500       1.854200      0.1842000    
 H    4.892500      -1.608500     -3.6100000E-02
 H    5.431000      0.7441000     -0.5203000    
 H   -4.210000       3.443600       1.114600    
 H   -4.979900       1.888000       1.522000    
 H   -3.372800       2.297900       2.184500    
 H   -3.594300      -3.024500      0.7775000    
 H    3.351800      -3.050500      0.5169000    
 H    2.908100       3.278600     -0.3861000    


%chk=000119474-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000119474

0 1
S -0.007769 -0.678753 0.514553
O -3.229124 -2.211126 -0.346361
O -2.186486 -1.898021 -2.401812
O 2.193760 -1.835871 1.973905
O 4.070239 1.973546 -1.726486
O -3.062741 2.577599 -0.039282
N -3.053204 0.304917 0.402196
C -2.365587 0.009155 -0.856561
C -0.850606 0.348099 -0.831221
C 1.744745 -0.223928 0.245001
C -2.567632 -1.437640 -1.308637
C 2.699854 -0.892686 1.056297
C 2.191731 0.739130 -0.687881
C -3.364472 1.613474 0.733060
C 3.573821 1.023383 -0.811265
C 4.075033 -0.602078 0.924272
C 4.521795 0.355929 -0.009470
C -4.078448 1.813484 2.062789
H -2.795759 0.664658 -1.640883
H -0.739234 1.421450 -0.610874
H -0.409908 0.094098 -1.809589
H -3.300791 -0.477671 1.009604
H 1.475532 1.277236 -1.318440
H 4.805113 -1.126398 1.554001
H 5.582737 0.591729 -0.123376
H -3.446906 2.434978 2.721023
H -5.015285 2.369539 1.888393
H -4.311133 0.868457 2.582414
H -3.304057 -3.151301 -0.662415
H 2.925836 -2.253236 2.490214
H 3.333544 2.393748 -2.235067


