%chk=000125979.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125979

0 1
 S   -3.788600      0.5598000      0.2150000    
 O   -1.493100      -1.186800       1.107600    
 O   -4.996200      0.6866000     -0.8736000    
 O   -3.237300       1.879400      0.4583000    
 O   -4.227600     -0.2943000       1.302500    
 N   0.9246000      -1.463700     -0.3541000    
 C  -0.3569000      -1.326200      -1.008400    
 C   -1.301800     -0.5041000     -0.1320000    
 C   -2.662700     -0.3501000     -0.8002000    
 C    1.412800      -2.809000     -5.0299998E-02
 C    1.687100     -0.3427000     -7.9999998E-04
 C    1.616000      0.8297000     -0.7621000    
 C    2.729300      -3.059500     -0.7604000    
 C    2.527600     -0.3839000       1.117700    
 C    2.375200       1.945500     -0.4097000    
 C    3.286600      0.7320000       1.470100    
 C    3.210400       1.896600      0.7065000    
 C    2.294600       3.190700      -1.226100    
 H  -0.8060000      -2.313000      -1.177700    
 H  -0.2444000     -0.8777000      -2.002100    
 H  -0.8942000      0.4844000      9.9299997E-02
 H   -3.127700      -1.325100     -0.9825000    
 H   -2.562100      0.1871000      -1.748700    
 H    1.507600      -2.966800       1.029500    
 H   0.6967000      -3.566400     -0.3912000    
 H   0.9864000      0.8926000      -1.645500    
 H    2.635900      -2.880500      -1.837200    
 H    3.543100      -2.432300     -0.3863000    
 H    3.034800      -4.101800     -0.6200000    
 H    2.603800      -1.261200       1.752600    
 H   -1.899700     -0.5641000       1.733500    
 H    3.933400      0.6961000       2.341900    
 H    3.805200       2.759600      0.9939000    
 H    3.173900       3.826400      -1.076900    
 H    2.247500       2.953500      -2.294400    
 H    1.403300       3.763200     -0.9507000    
 H   -4.827800       1.303200      -1.624500    


%chk=000125979-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125979

0 1
S -3.903896 0.622084 -0.191056
O -1.772718 -1.713375 0.584874
O -5.257938 -0.136546 -1.251759
O -3.934777 2.237107 -0.289720
O -3.917087 -0.053364 1.298680
N 1.085366 -1.304079 -0.240032
C -0.102761 -1.149525 -1.067987
C -1.333603 -0.607261 -0.261058
C -2.442699 -0.175357 -1.221044
C 1.279861 -2.616299 0.421189
C 1.955587 -0.220173 -0.006137
C 1.669924 1.090285 -0.503230
C 2.205444 -3.567039 -0.372308
C 3.166199 -0.397851 0.734933
C 2.542625 2.181831 -0.282337
C 4.030992 0.689705 0.956094
C 3.735865 1.977232 0.453606
C 2.177656 3.564309 -0.799871
H -0.396508 -2.136600 -1.467437
H 0.106402 -0.487328 -1.928049
H -0.995745 0.255665 0.350326
H -2.941550 -1.023698 -1.714671
H -2.175002 0.632642 -1.920632
H 1.674393 -2.453528 1.440866
H 0.282033 -3.067807 0.550142
H 0.749306 1.283909 -1.064793
H 1.789044 -3.774399 -1.375101
H 3.211648 -3.133253 -0.507744
H 2.310325 -4.531329 0.159071
H 3.442861 -1.381953 1.121736
H -2.504589 -1.376908 1.182199
H 4.955505 0.525297 1.521833
H 4.421029 2.813653 0.630579
H 3.071546 4.204471 -0.897974
H 1.684313 3.514834 -1.787422
H 1.479406 4.076181 -0.109429
H -6.138757 0.215667 -0.933335


