%chk=000059228.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059228

0 1
 S   -1.572300       2.435000      0.4117000    
 O    1.392000      -1.064900      0.9738000    
 O    2.601100     -0.4570000     -0.9460000    
 C    1.889500      3.8500000E-02  0.1996000    
 C   0.7069000      0.8783000     -0.2666000    
 C  -0.1661000       1.386500      0.8970000    
 C    2.849700      0.8592000       1.051400    
 C    1.172900       2.011000      -1.187400    
 C    2.058100      -2.209500      0.4418000    
 C    2.275900      -1.845600      -1.001100    
 C   -2.477200       1.215800     -0.5677000    
 C   -2.884000     -1.6300000E-02  0.2402000    
 C   -3.692200      -1.039200     -0.5629000    
 C   -4.154200      -2.191700      0.3161000    
 H   8.8500001E-02  0.2119000     -0.8820000    
 H  -0.5058000      0.5738000       1.544100    
 H   0.4355000       2.035700       1.541600    
 H    2.398600       1.198800       1.987900    
 H    3.706100      0.2368000       1.340500    
 H    3.269700       1.712800      0.5117000    
 H    1.639700       2.826700     -0.6256000    
 H    1.888900       1.664700      -1.939600    
 H   0.3336000       2.437800      -1.746300    
 H    1.450900      -3.108000      0.5760000    
 H    3.007200      -2.330300      0.9751000    
 H    3.080200      -2.413100      -1.475500    
 H    1.358100      -1.957900      -1.588400    
 H   -1.902800      0.9358000      -1.455500    
 H   -3.381500       1.712900     -0.9365000    
 H   -2.003300     -0.5425000      0.6203000    
 H   -3.473900      0.2982000       1.110700    
 H   -4.568700     -0.5530000      -1.006400    
 H   -3.083300      -1.427900      -1.387300    
 H   -4.727800      -2.912100     -0.2753000    
 H   -4.794200      -1.834000       1.129000    
 H   -3.300200      -2.716600      0.7559000    


%chk=000059228-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059228

0 1
S -1.652584 2.334236 -0.095848
O 1.231386 -1.031790 0.630383
O 2.898204 -0.326787 -0.916027
C 2.001918 0.167523 0.168668
C 0.966353 1.170070 -0.412941
C -0.102611 1.530000 0.644207
C 2.897899 0.690203 1.291596
C 1.641123 2.423527 -1.007559
C 1.859393 -2.219206 0.012379
C 2.402665 -1.661343 -1.313197
C -2.525028 0.792561 -0.776290
C -3.144033 -0.105787 0.307823
C -3.848468 -1.348178 -0.291181
C -4.467560 -2.255350 0.794573
H 0.464167 0.619393 -1.234824
H -0.424852 0.635813 1.201237
H 0.274877 2.278939 1.362735
H 2.291832 1.090294 2.122143
H 3.524358 -0.131292 1.677040
H 3.562779 1.486348 0.916669
H 2.118661 3.037192 -0.220760
H 2.411255 2.140922 -1.745741
H 0.879999 3.048631 -1.506779
H 1.073707 -2.983122 -0.102173
H 2.677124 -2.605270 0.652623
H 3.260308 -2.217932 -1.722724
H 1.603386 -1.575796 -2.076330
H -1.797617 0.234778 -1.394116
H -3.300080 1.199464 -1.450458
H -2.356623 -0.441445 1.011676
H -3.869285 0.484595 0.901104
H -4.639196 -1.018212 -0.995509
H -3.118753 -1.930782 -0.890239
H -4.966867 -3.135896 0.349916
H -5.220158 -1.704050 1.389020
H -3.692077 -2.621651 1.493204


