%chk=000115774.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115774

0 1
 S    5.540200     -0.5633000      0.2197000    
 O    1.645300     -0.3441000     -8.5199997E-02
 O    2.986000      -2.131600      0.4314000    
 N   -3.187700     -0.3496000     -0.4323000    
 C   -3.247000      0.8854000      0.3728000    
 C   -4.444100       1.742500     -8.1600003E-02
 C   -4.418900      -1.145200     -0.3711000    
 C   -5.760400      0.9717000     -4.9600001E-02
 C   -5.630100     -0.3318000     -0.8276000    
 C   -2.016800      -1.170800     -0.1376000    
 C   -3.267800      0.6746000       1.894900    
 C  -0.7448000     -0.3355000     -0.2409000    
 C   0.4968000      -1.171200      4.0199999E-02
 C    2.858300     -0.9474000      0.1380000    
 C    3.960500      2.7999999E-03 -1.8900000E-02
 C    3.881000       1.316700     -0.3404000    
 C    5.177900       1.904000     -0.3978000    
 C    6.171400      0.9929000     -0.1141000    
 H   -2.386800       1.522800      0.1410000    
 H   -4.265500       2.091500      -1.107800    
 H   -4.529900       2.641600      0.5404000    
 H   -4.591500      -1.535600      0.6394000    
 H   -4.331700      -2.014100      -1.035200    
 H   -6.561100       1.583600     -0.4797000    
 H   -6.046300      0.7578000      0.9867000    
 H   -6.542500     -0.9269000     -0.7081000    
 H   -5.535300     -0.1068000      -1.897800    
 H   -2.087200      -1.634600      0.8540000    
 H   -1.955600      -1.988500     -0.8669000    
 H   -2.352300      0.1938000       2.252400    
 H   -3.341400       1.639100       2.409800    
 H   -4.116100      6.5700002E-02   2.221200    
 H  -0.6587000      0.1223000      -1.234800    
 H  -0.7138000      0.4858000      0.4822000    
 H   0.5632000      -1.996600     -0.6784000    
 H   0.4513000      -1.581900       1.055800    
 H    2.964400       1.860300     -0.5307000    
 H    5.372400       2.941900     -0.6351000    
 H    7.237900       1.167000     -8.6900003E-02


%chk=000115774-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115774

0 1
S 5.770872 -0.687493 0.032410
O 1.734509 -0.333798 -0.139271
O 3.059311 -2.238814 0.181580
N -3.213054 -0.299067 -0.292288
C -3.397473 0.967033 0.487358
C -4.592605 1.754720 -0.109376
C -4.426062 -1.156226 -0.333905
C -5.888178 0.914190 -0.156946
C -5.628922 -0.397133 -0.931098
C -1.999595 -1.077091 0.048800
C -3.535080 0.768295 2.026861
C -0.690787 -0.277963 -0.141324
C 0.523832 -1.201583 -0.047769
C 2.961567 -0.998729 -0.007499
C 4.083790 -0.060160 -0.118922
C 4.069349 1.316160 -0.337155
C 5.380828 1.899491 -0.388375
C 6.397578 0.967960 -0.209034
H -2.490742 1.577819 0.313724
H -4.324928 2.054822 -1.141241
H -4.748370 2.680239 0.478135
H -4.703587 -1.549701 0.678426
H -4.193040 -2.037504 -0.962283
H -6.699208 1.493188 -0.638180
H -6.232468 0.680718 0.870569
H -6.522567 -1.050637 -0.912020
H -5.407928 -0.159676 -1.989923
H -2.027480 -1.489228 1.091394
H -1.981040 -1.954424 -0.629705
H -2.645019 0.267445 2.450380
H -3.632258 1.750153 2.525855
H -4.420657 0.165063 2.294475
H -0.712177 0.218031 -1.128971
H -0.591545 0.510396 0.627791
H 0.558003 -1.937245 -0.872795
H 0.560332 -1.756233 0.908910
H 3.136785 1.871145 -0.455319
H 5.567045 2.963444 -0.551090
H 7.474267 1.130693 -0.200777


