%chk=000105868.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105868

0 1
 S   -3.716300       1.580600       0.000000    
 O    1.488900      0.9034000      6.0000003E-04
 O    1.214400      -1.487000      1.2000001E-03
 N   -3.679900     -0.9986000     -7.9999998E-04
 C    2.155800     -0.3849000      9.9999997E-05
 C    3.023200     -0.4911000      -1.264000    
 C    3.024800     -0.4908000       1.263000    
 C    4.170400      0.5172000      -1.264700    
 C    4.171600      0.5180000       1.262900    
 C    5.018900      0.4032000     -1.2000001E-03
 C   0.1769000      0.5332000      1.4000000E-03
 C   2.1400001E-02 -0.8287000      1.4000000E-03
 C  -0.8959000       1.405400      7.9999998E-04
 C   -1.224000      -1.431000      6.0000003E-04
 C   -2.171600      0.8110000      3.0000001E-04
 C   -2.356000     -0.5818000       0.000000    
 C   -4.472500      4.7400001E-02 -6.0000003E-04
 C   -5.950000     -2.5400000E-02 -1.1000000E-03
 H    2.405000     -0.3268000      -2.155500    
 H    3.424400      -1.508900      -1.352700    
 H    3.426500      -1.508500       1.351100    
 H    2.407600     -0.3271000       2.155200    
 H    3.769100       1.534700      -1.345200    
 H    4.800700      0.3550000      -2.146300    
 H    4.802600      0.3562000       2.144200    
 H    3.770000       1.535400       1.343300    
 H    5.542600     -0.5608000     -1.1000000E-03
 H    5.788000       1.183800     -1.8000000E-03
 H  -0.7642000       2.481200      6.9999998E-04
 H   -1.331500      -2.510200      3.9999999E-04
 H   -6.367800      0.4570000      0.8885000    
 H   -6.367300      0.4575000     -0.8906000    
 H   -6.283100      -1.068500     -1.4000000E-03


%chk=000105868-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000105868

0 1
S -3.812185 1.724345 -0.000427
O 1.514549 0.902355 -0.000433
O 1.217919 -1.489518 -0.000273
N -3.749472 -0.968870 -0.000112
C 2.275272 -0.413384 -0.000413
C 3.099486 -0.506194 -1.285023
C 3.099641 -0.506037 1.284106
C 4.255057 0.525444 -1.276488
C 4.255223 0.525584 1.275299
C 5.121120 0.387938 -0.000644
C 0.146232 0.574063 -0.000379
C -0.031805 -0.836049 -0.000275
C -0.925473 1.470728 -0.000389
C -1.289729 -1.431613 -0.000150
C -2.211857 0.876620 -0.000315
C -2.404603 -0.545508 -0.000190
C -4.603554 0.029523 -0.000031
C -6.097795 -0.085835 0.000193
H 2.432615 -0.357115 -2.152977
H 3.505205 -1.534477 -1.347116
H 3.505345 -1.534317 1.346293
H 2.432878 -0.356815 2.152117
H 3.826760 1.545364 -1.322078
H 4.873127 0.389604 -2.183373
H 4.873417 0.389838 2.182114
H 3.826947 1.545517 1.320836
H 5.623710 -0.601585 -0.000626
H 5.919096 1.154156 -0.000732
H -0.766299 2.550704 -0.000494
H -1.436015 -2.513005 -0.000057
H -6.539822 0.395802 0.891533
H -6.540044 0.395483 -0.891209
H -6.372247 -1.152644 0.000413


