%chk=000049229.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049229

0 1
 S    1.751600     -0.1498000      0.3265000    
 O  -0.4679000      0.3611000      -2.010600    
 O  -0.5019000      -1.075000       2.392100    
 O   -3.628100       1.961700      0.9955000    
 N   -2.189800       1.071500     -0.6141000    
 N   -2.099600      0.3941000       1.649400    
 C  -0.8626000     -0.9127000      1.5000000E-03
 C   -1.846300      -2.043300     -0.3508000    
 C   0.5751000      -1.428200     -0.1690000    
 C   -1.120400      0.2349000     -0.9729000    
 C   -1.097400     -0.5423000       1.456600    
 C   -1.657800      -2.498200      -1.780300    
 C   -2.718800       1.187200      0.6858000    
 C    3.285200      -1.055500      1.1700000E-02
 C    4.535200     -0.2675000      0.4028000    
 C   -2.687200       2.001900      -1.620700    
 C    4.711000       1.036000     -0.3808000    
 C    6.019600       1.724200     -2.2600001E-02
 H   -2.885000      -1.714200     -0.2187000    
 H   -1.708700      -2.897100      0.3252000    
 H   0.8104000      -1.679600      -1.206800    
 H   0.7467000      -2.320600      0.4438000    
 H   -1.831100      -1.708100      -2.515100    
 H  -0.6812000      -2.952800      -1.963100    
 H   -2.395900      -3.279500      -1.998900    
 H   -2.378000      0.5631000       2.612000    
 H    3.332100      -1.314000      -1.051600    
 H    3.264300      -1.988700      0.5846000    
 H    4.517900     -5.2700002E-02   1.478900    
 H    5.409000     -0.9085000      0.2296000    
 H   -3.759200       2.173200      -1.485800    
 H   -2.507000       1.621200      -2.630000    
 H   -2.159600       2.952700      -1.496100    
 H    4.699100      0.8269000      -1.456900    
 H    3.890200       1.730500     -0.1742000    
 H    6.128000       2.652400     -0.5925000    
 H    6.876500       1.082900     -0.2529000    
 H    6.052600       1.973400       1.042800    


%chk=000049229-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049229

0 1
S 1.872424 -1.248741 1.088905
O 0.133272 -0.415054 -1.903166
O -1.364824 -1.528703 2.558742
O -1.948008 2.730322 0.838350
N -0.974608 1.130687 -0.587019
N -1.663010 0.564728 1.626700
C -0.831248 -1.288148 0.171776
C -2.076380 -2.108385 -0.379352
C 0.403561 -2.202034 0.352866
C -0.492962 -0.174538 -0.833217
C -1.273755 -0.779286 1.553006
C -1.845405 -2.865877 -1.701894
C -1.557007 1.553336 0.631675
C 3.004840 -1.129095 -0.445245
C 4.101967 -0.075213 -0.213489
C -0.743381 2.154304 -1.635539
C 3.583974 1.381195 -0.159974
C 4.722702 2.405165 0.032256
H -2.928838 -1.409076 -0.494084
H -2.352372 -2.820055 0.421913
H 0.724652 -2.609775 -0.616516
H 0.163778 -3.017245 1.052530
H -1.494412 -2.197595 -2.505908
H -1.103940 -3.675643 -1.587266
H -2.794906 -3.329776 -2.025514
H -2.030039 0.894517 2.525673
H 2.363615 -0.863233 -1.302575
H 3.440439 -2.130924 -0.601817
H 4.660259 -0.307929 0.716167
H 4.833125 -0.167527 -1.043803
H -1.260307 3.074648 -1.330345
H -1.131596 1.787831 -2.598421
H 0.337513 2.344450 -1.743810
H 3.036124 1.600813 -1.099820
H 2.849123 1.477196 0.662473
H 4.333203 3.438978 0.069273
H 5.455205 2.349087 -0.795407
H 5.268223 2.217195 0.976275


