%chk=000097576.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097576

0 1
 S    4.513700       1.570700     -9.6699998E-02
 O    1.025500     -0.7574000       1.003800    
 O  -0.8068000      -2.935100      -1.191800    
 O    1.214800      -3.746700      0.4329000    
 O    3.524800      0.4086000      0.4971000    
 O    5.731800      0.9403000     -0.5716000    
 O    3.724600       2.394200     -0.9949000    
 N   -1.083300     -6.8999998E-02  0.1617000    
 N   -1.698900       2.014300     -0.3473000    
 N   -3.267500      -1.070300      0.5210000    
 N   -5.056100      0.5554000      0.1834000    
 N   -4.627100       2.829600     -0.4257000    
 N    4.905300       2.524300       1.273500    
 C   0.1778000      -1.986700     -0.8343000    
 C    1.485100      -2.621800     -0.4034000    
 C  -0.2088000      -1.211600      0.4160000    
 C    2.118000      -1.521100      0.4423000    
 C    2.994800     -0.5785000     -0.3702000    
 C   -2.449000     -5.0999999E-02  0.2199000    
 C  -0.6810000       1.195600     -0.1824000    
 C   -2.810100       1.248200     -9.9100001E-02
 C   -4.170900       1.537700     -0.1114000    
 C   -4.556700     -0.6696000      0.4770000    
 H   0.3422000      -1.314700      -1.684500    
 H    2.097800      -2.966600      -1.241200    
 H  -0.7180000      -1.841700       1.155600    
 H    2.687500      -1.921700       1.288600    
 H    2.412800     -7.5900003E-02  -1.150100    
 H    3.817100      -1.130100     -0.8381000    
 H  -0.9076000      -3.557500     -0.4516000    
 H    2.071100      -4.100500      0.7284000    
 H   0.3596000       1.464000     -0.3039000    
 H   -5.293500      -1.431500      0.7079000    
 H   -3.968700       3.564100     -0.6471000    
 H   -5.621000       3.014800     -0.4290000    
 H    4.140400       3.074000       1.685400    
 H    5.499000       2.082500       1.987100    


%chk=000097576-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000097576

0 1
S 3.557842 1.675366 0.167157
O 1.387496 -0.693547 0.714305
O -0.639293 -2.819069 -1.536856
O 1.043277 -3.856814 0.261542
O 4.254503 -0.088719 0.440401
O 4.779064 2.670625 0.463932
O 2.785965 1.630415 -1.252394
N -0.719336 0.085019 -0.130400
N -1.432478 2.063463 -1.050103
N -2.725198 -0.469753 1.235003
N -4.493737 1.225779 1.004684
N -4.267054 3.140901 -0.363304
N 2.376629 1.857446 1.459570
C 0.433019 -1.979469 -1.070338
C 1.650975 -2.771918 -0.524742
C 0.060741 -1.095166 0.154806
C 2.399574 -1.744857 0.359023
C 3.581224 -1.098108 -0.382454
C -2.013251 0.308797 0.374079
C -0.426565 1.177255 -0.982687
C -2.433561 1.527835 -0.213878
C -3.739451 1.981500 0.135273
C -3.956203 0.068299 1.497013
H 0.725368 -1.342125 -1.921453
H 2.284082 -3.178249 -1.336476
H -0.503725 -1.684340 0.902429
H 2.744053 -2.200554 1.305352
H 3.256692 -0.651587 -1.344371
H 4.364280 -1.854861 -0.584079
H -0.716125 -3.578652 -0.897258
H 1.701944 -4.563843 0.464447
H 0.546686 1.299619 -1.456070
H -4.593043 -0.495977 2.184564
H -3.720630 3.711339 -1.005303
H -5.205020 3.418186 -0.081736
H 1.751715 1.026382 1.479505
H 2.818242 2.158681 2.338115


