%chk=000019675.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019675

0 1
 S   -2.996900      0.9942000       2.091000    
 O    7.276400     -0.3405000       1.069000    
 O    2.159600       4.341100     -0.6904000    
 N    1.034900      -1.850800      1.0000000E-03
 N   -1.980300     -9.9500000E-02 -0.6359000    
 C    3.963400      -1.828500      0.1364000    
 C    3.201900      -1.882500      -1.192400    
 C    3.085300      -1.177100       1.210100    
 C    1.831500      -2.541400      -1.022100    
 C    1.719000      -1.859700       1.301000    
 C    5.285200      -1.081700     -1.8800000E-02
 C  -0.2900000      -2.460000      0.1155000    
 C   -1.092500      -2.333900      -1.183200    
 C    6.070900      -1.062300       1.279900    
 C   -1.302200     -0.8987000      -1.664600    
 C   -1.295200       1.036500     -0.1350000    
 C   -3.294000     -0.4866000     -0.2693000    
 C   -1.678300       1.638000       1.080200    
 C   -3.875100     -3.6100000E-02  0.9326000    
 C  -0.2290000       1.637400     -0.8392000    
 C   -4.091200      -1.305400      -1.098900    
 C   -1.000100       2.768800       1.568800    
 C   0.4385000       2.764200     -0.3514000    
 C   -5.181300     -0.4172000       1.287900    
 C   5.4699998E-02   3.328600      0.8556000    
 C   -5.390700      -1.677100     -0.7433000    
 C   -5.935000      -1.235300      0.4529000    
 C    1.541400       3.340300      -1.104600    
 C    1.969100       2.725300      -2.432600    
 H    4.179900      -2.860300      0.4464000    
 H    3.070200     -0.8678000      -1.591000    
 H    3.784800      -2.441900      -1.934100    
 H    3.550500      -1.248000       2.198500    
 H    2.947400     -0.1100000      0.9911000    
 H    1.358700      -2.493100      -2.007000    
 H    1.960900      -3.602200     -0.7704000    
 H    1.842600      -2.886100       1.671400    
 H    1.117200      -1.316600       2.040100    
 H    5.112600     -5.1700000E-02 -0.3571000    
 H    5.891700      -1.551500     -0.8037000    
 H  -0.8515000      -1.983600      0.9283000    
 H  -0.2080000      -3.522500      0.3812000    
 H  -0.6383000      -2.918100      -1.991300    
 H   -2.046600      -2.842400      -1.011400    
 H    5.541500     -0.5438000       2.081800    
 H    6.320400      -2.072200       1.620200    
 H   -1.865700     -0.8783000      -2.605300    
 H  -0.3094000     -0.5498000      -1.948500    
 H    7.785700     -0.8115000      0.3875000    
 H   4.8799999E-02   1.275500      -1.820300    
 H   -3.740800      -1.661900      -2.063400    
 H   -1.287700       3.226300       2.513400    
 H   -5.626500     -7.9099998E-02   2.221500    
 H   0.5565000       4.202200       1.262100    
 H   -5.975200      -2.306800      -1.407800    
 H   -6.943600      -1.521800      0.7342000    
 H    1.158500       2.797300      -3.162300    
 H    2.284400       1.688700      -2.287600    
 H    2.825800       3.283400      -2.824300    


%chk=000019675-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000019675

0 1
S -2.758997 0.556083 2.322947
O 7.638896 -0.562546 0.945170
O 1.567853 4.953895 -0.681980
N 1.161960 -2.153781 -0.079751
N -1.895625 -0.142282 -0.532038
C 4.114025 -2.060089 0.233748
C 3.422871 -2.459522 -1.093817
C 3.156552 -1.150039 1.044498
C 2.032467 -3.078010 -0.848015
C 1.775244 -1.808054 1.228918
C 5.490857 -1.401620 -0.032203
C -0.228865 -2.655402 0.057874
C -1.074246 -2.422981 -1.214635
C 6.313816 -1.132919 1.241636
C -1.169728 -0.920371 -1.566379
C -1.341888 1.083727 -0.051508
C -3.262314 -0.455740 -0.257475
C -1.683705 1.570134 1.242960
C -3.837323 -0.136093 1.003406
C -0.450638 1.859547 -0.835689
C -4.095659 -1.079482 -1.226058
C -1.149873 2.781122 1.733420
C 0.123367 3.057078 -0.335758
C -5.191678 -0.399849 1.283533
C -0.234440 3.516504 0.959333
C -5.443761 -1.380284 -0.934831
C -6.002121 -1.039374 0.316953
C 1.091856 3.873664 -1.143112
C 1.498514 3.383529 -2.530821
H 4.277092 -2.991040 0.823459
H 3.309181 -1.558771 -1.729597
H 4.052255 -3.182468 -1.650020
H 3.577413 -0.924498 2.042989
H 3.029368 -0.186663 0.511520
H 1.548133 -3.306176 -1.815580
H 2.153350 -4.053606 -0.304201
H 1.889707 -2.719325 1.874824
H 1.094915 -1.114037 1.755910
H 5.351991 -0.445772 -0.575472
H 6.079985 -2.066845 -0.701394
H -0.706750 -2.111258 0.893757
H -0.251312 -3.742236 0.321966
H -0.624923 -2.945518 -2.081932
H -2.077424 -2.862433 -1.063236
H 5.833843 -0.369222 1.874707
H 6.411754 -2.068663 1.836445
H -1.613788 -0.776711 -2.573760
H -0.132486 -0.548530 -1.591892
H 8.121831 -1.180717 0.339638
H -0.208183 1.528131 -1.848564
H -3.692545 -1.324672 -2.212893
H -1.444789 3.132004 2.727829
H -5.603998 -0.120975 2.259029
H 0.210749 4.446326 1.325596
H -6.059773 -1.871192 -1.696151
H -7.049441 -1.264344 0.541800
H 0.620983 3.318150 -3.201439
H 1.954987 2.377228 -2.481199
H 2.225258 4.089492 -2.960067


