%chk=000121612.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121612

0 1
 S   -3.827600     -5.2999999E-02  0.6341000    
 S   -2.241400     -0.8693000     -0.3834000    
 O    2.546200      0.6361000     -0.6517000    
 O    2.176500      8.9999996E-03   1.526700    
 O   0.5096000      -3.200700      -1.463600    
 O  -0.5691000      -4.169300      0.2795000    
 N    1.028700     -0.9696000     -0.2361000    
 C    3.518500       1.584400     -0.2100000    
 C   -3.914300       1.604600     -8.5299999E-02
 C   0.2176000      -1.889200      0.5280000    
 C    2.832600       2.590200      0.7133000    
 C    4.074000       2.284300      -1.448400    
 C    4.627600      0.8358000      0.5276000    
 C   -2.589500       2.325100      0.1803000    
 C   -5.071200       2.358400      0.5771000    
 C   -4.158300       1.474000      -1.591400    
 C   -1.096800      -1.251000      0.9840000    
 C    1.937900     -9.9900000E-02  0.3284000    
 C  -1.1000000E-03  -3.200100     -0.2091000    
 H   0.7997000      -2.148700       1.422000    
 H    1.879000       2.925000      0.2884000    
 H    3.466100       3.474100      0.8540000    
 H    2.622000       2.215700       1.718100    
 H    4.830600       3.032100      -1.189600    
 H    4.524800       1.558600      -2.135200    
 H    3.272000       2.781300      -2.006200    
 H    4.370800      0.5274000       1.544100    
 H    5.515100       1.471900      0.6295000    
 H    4.923600     -6.6799998E-02 -1.9600000E-02
 H   -1.741500       1.903800     -0.3688000    
 H   -2.661900       3.372300     -0.1398000    
 H   -2.336700       2.339600       1.247400    
 H   -4.924900       2.459000       1.659200    
 H   -6.032500       1.858500      0.4086000    
 H   -5.159100       3.372000      0.1682000    
 H   -5.046000      0.8692000      -1.812700    
 H   -4.336200       2.464700      -2.028800    
 H   -3.309100       1.054800      -2.139900    
 H   -1.610300      -1.938100       1.666000    
 H  -0.8860000     -0.3236000       1.528500    
 H   0.9157000     -0.9490000      -1.245300    
 H   0.3636000      -4.057400      -1.918700    


%chk=000121612-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121612

0 1
S -2.957588 0.435434 -1.047392
S -1.290711 1.745173 -0.240268
O 3.172277 0.334181 -0.790136
O 2.554752 0.787007 1.464022
O -0.649057 -2.155849 -0.665090
O -1.764201 -2.066446 1.374753
N 1.166194 -0.367347 -0.014429
C 4.517311 1.047835 -0.708290
C -4.557363 1.111747 -0.159074
C 0.103862 -0.520733 0.971544
C 4.285976 2.540049 -0.396817
C 5.066124 0.845723 -2.131023
C 5.400162 0.351144 0.346196
C -4.402825 0.988328 1.366873
C -5.651287 0.161161 -0.699735
C -4.793688 2.568796 -0.594394
C -0.672203 0.796633 1.273708
C 2.326153 0.300172 0.318938
C -0.870065 -1.642230 0.614352
H 0.561964 -0.806491 1.940930
H 3.594182 2.985009 -1.133902
H 5.248407 3.080655 -0.456548
H 3.868345 2.671614 0.613701
H 6.060261 1.318818 -2.221343
H 5.165246 -0.229418 -2.359403
H 4.390285 1.299919 -2.875893
H 4.976957 0.474245 1.355502
H 6.413451 0.792901 0.328277
H 5.489960 -0.726581 0.121696
H -3.614205 1.669304 1.734591
H -5.352215 1.278109 1.858755
H -4.153266 -0.045029 1.664849
H -5.469279 -0.882878 -0.388184
H -5.714583 0.198128 -1.802344
H -6.631738 0.474292 -0.292632
H -4.923972 2.643382 -1.687926
H -5.705451 2.962894 -0.103626
H -3.942421 3.208812 -0.300431
H -1.513101 0.592456 1.953583
H 0.030872 1.506519 1.745629
H 1.021679 -0.700612 -0.967976
H -1.346502 -2.830628 -0.881644


