%chk=000153554.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153554

0 1
 S   0.2227000      1.4400000E-02   1.340300    
 O    2.810400      -1.611300      0.6058000    
 O   -1.484900      -2.533200     -0.7694000    
 O   -2.936500      -1.957100      0.9185000    
 O   -3.099500       2.259400      -1.416300    
 N   -2.769500      0.7248000      0.3032000    
 C    1.917000      0.6073000      0.9772000    
 C    2.617100     -0.3385000     -9.3999999E-03
 C    1.840400       2.037600      0.4338000    
 C    3.987900      0.2061000     -0.4214000    
 C    3.219500       2.559200      3.4800000E-02
 C    3.901500       1.627800     -0.9614000    
 C  -0.4540000      0.1638000     -0.3266000    
 C   -1.936800     -0.2063000     -0.4183000    
 C    3.428100      -2.527600     -0.2850000    
 C   -2.188200      -1.651800     -4.4000000E-03
 C   -3.280900       1.882300     -0.2615000    
 C   -4.137200       2.659200      0.7024000    
 C   -1.657100      -3.916000     -0.4422000    
 H    2.455500      0.6023000       1.932500    
 H    2.042600     -0.4645000     -0.9304000    
 H    1.236800       2.129200     -0.4692000    
 H    1.407600       2.710000       1.184700    
 H    4.674400      0.1736000      0.4349000    
 H    4.447700     -0.4105000      -1.201700    
 H    3.125000       3.560400     -0.4009000    
 H    3.844900       2.659200      0.9305000    
 H    4.907700       2.000400      -1.183800    
 H    3.343800       1.628800      -1.906000    
 H  -0.3832000       1.186100     -0.6957000    
 H   8.3099999E-02 -0.4916000      -1.013500    
 H   -2.240300     -0.1446000      -1.472200    
 H    3.002200      -2.477700      -1.292300    
 H    4.512100      -2.384600     -0.3072000    
 H    3.248800      -3.535400      0.1023000    
 H   -2.978200      0.5188000       1.276100    
 H   -4.364300       3.643200      0.2831000    
 H   -5.071200       2.118500      0.8785000    
 H   -3.610000       2.795800       1.651100    
 H   -1.322600      -4.106700      0.5820000    
 H   -1.042700      -4.506200      -1.127300    
 H   -2.703900      -4.207800     -0.5688000    


%chk=000153554-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153554

0 1
S 0.122519 0.428043 1.197456
O 2.640681 -1.491477 0.952228
O -1.161064 -2.235275 -1.049514
O -2.612064 -2.074465 0.765006
O -3.282278 2.420596 -1.045347
N -3.020983 0.583434 0.342578
C 1.951027 0.822468 0.804275
C 2.662555 -0.322903 0.058603
C 2.089299 2.179839 0.078795
C 4.126994 0.054468 -0.288569
C 3.567576 2.527069 -0.221487
C 4.232961 1.399845 -1.041887
C -0.655033 0.619054 -0.521771
C -2.049440 -0.055184 -0.549735
C 2.816960 -2.765071 0.263099
C -1.985585 -1.541168 -0.179597
C -3.591341 1.801185 0.022315
C -4.600479 2.345751 1.026223
C -0.990182 -3.679896 -0.748738
H 2.390643 0.889761 1.818089
H 2.107577 -0.557806 -0.880457
H 1.534141 2.151294 -0.879513
H 1.617244 2.965065 0.697342
H 4.688407 0.116915 0.664932
H 4.586680 -0.758869 -0.882473
H 3.618415 3.488748 -0.766888
H 4.120430 2.664819 0.730126
H 5.296213 1.635299 -1.238778
H 3.735199 1.321146 -2.030955
H -0.784168 1.683161 -0.770417
H -0.005563 0.126435 -1.263978
H -2.414560 0.037935 -1.593128
H 2.066182 -2.890420 -0.546991
H 3.832079 -2.877991 -0.172185
H 2.666890 -3.545636 1.026603
H -3.299109 0.055284 1.174614
H -4.225903 3.301428 1.432448
H -5.547859 2.561245 0.503359
H -4.798960 1.656652 1.864634
H -0.497003 -3.797964 0.230240
H -0.361959 -4.063780 -1.564324
H -1.971341 -4.182237 -0.729434


