%chk=000103262.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103262

0 1
 S   -2.820900      -3.499800      0.1421000    
 S   -2.602200       3.328100     -0.1793000    
 O   -3.699500      -3.750100      -1.210200    
 O   -2.188000       3.456100      -1.752600    
 O   -1.692100      -4.412300      9.8200001E-02
 O   -3.724300      -3.477800       1.277900    
 O   -3.702000       4.247300      5.3300001E-02
 O   -1.392000       3.388500      0.6195000    
 O    2.961300       2.215600      0.1767000    
 N    1.134400     -0.3757000     -0.6167000    
 N    1.740500     -0.2913000      0.4772000    
 N    7.252500      0.1480000     -0.4198000    
 C   -2.417500      0.5536000     -9.2000000E-02
 C   -3.004100     -0.7259000      5.4800000E-02
 C   -2.190600      -1.867900     -2.6400000E-02
 C   -3.231000       1.695500     -1.1000000E-02
 C   -1.034500      0.6535000     -0.3156000    
 C   -4.387000     -0.8259000      0.2783000    
 C  -0.8184000      -1.750000     -0.2490000    
 C  -0.2415000     -0.4917000     -0.3934000    
 C   -4.603100       1.577600      0.2116000    
 C   -5.180100      0.3193000      0.3560000    
 C    3.122900     -0.1750000      0.2524000    
 C    5.271700      -1.227500     -4.5800000E-02
 C    3.898700      -1.328700      0.1775000    
 C    3.709600       1.078900      0.1057000    
 C    5.863900      2.6900001E-02 -0.1934000    
 C    5.082700       1.180100     -0.1176000    
 C    6.084900      -2.478700     -0.1226000    
 C    2.805400       2.809000       1.464000    
 H  -0.5267000       1.595200     -0.4862000    
 H   -4.920200      -1.765400      0.3514000    
 H  -0.1724000      -2.620700     -0.3192000    
 H   -5.258900       2.440600      0.2734000    
 H   -6.250500      0.2282000      0.5174000    
 H    3.429600      -2.302800      0.2945000    
 H    5.538300       2.161000     -0.2327000    
 H   -3.195300      -3.708900      -2.056700    
 H   -2.928400       3.351600      -2.395500    
 H    6.848300      -2.489600      0.6625000    
 H    5.468100      -3.373800      1.3600000E-02
 H    6.566900      -2.564300      -1.102100    
 H    7.843700     -0.6690000     -0.4803000    
 H    7.663900       1.066300     -0.5249000    
 H    3.776400       3.118500       1.863300    
 H    2.319300       2.112900       2.154700    
 H    2.172300       3.694200       1.358100    


%chk=000103262-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000103262

0 1
S -3.642194 -2.332902 -2.284279
S -1.842486 1.924854 3.096181
O -4.450325 -0.876246 -3.112692
O -1.471303 3.258629 1.853536
O -2.670765 -3.081190 -3.336696
O -4.809053 -3.178933 -1.544626
O -2.801559 2.519469 4.254857
O -0.433168 1.244882 3.515210
O 3.529380 -0.998340 -2.584395
N 1.014837 -0.598954 -0.932152
N 1.806879 -0.023419 -0.044937
N 7.426545 -0.238379 0.068261
C -2.275254 0.159862 0.836290
C -3.203316 -0.601763 -0.000608
C -2.600484 -1.299289 -1.096408
C -2.880794 0.874906 1.921408
C -0.879922 0.167466 0.549184
C -4.602947 -0.607897 0.297720
C -1.249770 -1.290667 -1.391538
C -0.363531 -0.548524 -0.545195
C -4.238026 0.878171 2.211321
C -5.108749 0.112869 1.380979
C 3.188123 -0.016632 -0.256464
C 5.281239 0.424101 1.048820
C 3.896263 0.468458 0.897584
C 3.992434 -0.512837 -1.361623
C 6.048241 -0.144685 -0.031243
C 5.388014 -0.584563 -1.210892
C 5.969665 0.924356 2.303808
C 2.608217 -0.164997 -3.386538
H -0.177629 0.718390 1.179853
H -5.280555 -1.198399 -0.324512
H -0.840926 -1.845658 -2.242254
H -4.619427 1.455234 3.059926
H -6.180457 0.098177 1.598864
H 3.265274 0.848730 1.708343
H 5.961815 -0.974883 -2.058444
H -5.086119 -1.237134 -3.797505
H -0.828060 3.894911 2.283274
H 6.681232 1.746790 2.087445
H 5.233278 1.312198 3.025843
H 6.533909 0.118132 2.814851
H 7.916484 0.093513 0.894391
H 7.974478 -0.655505 -0.679936
H 3.049616 0.836577 -3.548081
H 1.629214 -0.097234 -2.881256
H 2.515780 -0.697945 -4.344574


