%chk=000002616.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002616

0 1
 S  -0.3675000      -1.439400       2.518300    
 S    5.109300      0.8298000      0.3335000    
 O  -1.1800000E-02  -3.003500      -1.847600    
 O   -3.870400       1.430700       1.252700    
 O   -3.807400      -2.264600     -0.9699000    
 O   -2.547100      -1.028800      -2.424200    
 O    3.485200      -1.397000       1.844100    
 O   -3.778400       1.863900      -1.014800    
 N  -0.6972000      -1.559600     -0.1136000    
 N    2.486400      -1.727100     -0.2256000    
 N    1.269500       2.933300      -1.031700    
 C   0.2879000      -1.130800      0.8626000    
 C    1.206300      -2.223600      0.2734000    
 C   0.1141000      -2.373200     -0.8238000    
 C   -1.989400      -1.142300     -0.1163000    
 C   -2.534500     -0.5222000      0.9572000    
 C   -1.796200     -0.3289000       2.279900    
 C   -3.933900      4.2599998E-02   1.002200    
 C   -2.788000      -1.452000      -1.311500    
 C    3.532200      -1.350600      0.6158000    
 C    4.766000     -0.8868000     -0.1206000    
 C   -3.794900       2.241700      0.1489000    
 C    3.610300       1.651800     -0.1998000    
 C   -3.734500       3.680200      0.5651000    
 C    3.228800       1.609900      -1.536200    
 C    2.822700       2.333700      0.7212000    
 C    2.060200       2.260700      -1.897800    
 C    1.672300       2.952300      0.2586000    
 H   0.6235000     -0.1014000      0.6895000    
 H    1.325600      -3.139000      0.8654000    
 H   -2.474700     -0.5222000       3.117500    
 H   -1.451500      0.7080000       2.359900    
 H    2.633700      -1.649600      -1.229000    
 H   -4.485100     -0.4216000       1.828500    
 H   -4.530600     -0.1571000      0.1072000    
 H    4.661100     -0.9828000      -1.204700    
 H    5.605500      -1.517800      0.1875000    
 H   -4.369200      -2.496100      -1.740000    
 H   -4.637400       3.942500       1.122200    
 H   -3.676800       4.313500     -0.3247000    
 H   -2.842800       3.851400       1.173400    
 H    3.815200       1.094800      -2.289700    
 H    3.084400       2.387900       1.772700    
 H    1.719200       2.258600      -2.927800    
 H    1.022500       3.495200      0.9369000    


%chk=000002616-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002616

0 1
S -0.278215 -1.335532 2.822826
S 4.943161 1.039122 -0.103345
O -0.023442 -3.592360 -1.188479
O -3.624326 1.592416 1.045095
O -4.020026 -1.744827 -1.240531
O -2.016542 -1.398347 -2.365341
O 4.127862 -2.100756 1.244653
O -3.437025 1.455742 -1.277974
N -0.682175 -1.623287 0.107637
N 2.446876 -1.565828 -0.283071
N 0.605260 2.825957 -0.236615
C 0.317253 -1.083708 1.049471
C 1.351767 -2.126651 0.483125
C 0.155641 -2.662972 -0.390515
C -2.039769 -1.257895 0.062146
C -2.610970 -0.634382 1.150358
C -1.934109 -0.454180 2.502544
C -3.928884 0.110697 1.066473
C -2.656543 -1.448945 -1.294604
C 3.761625 -1.543731 0.172277
C 4.707098 -0.751066 -0.730949
C -3.339637 2.130016 -0.228016
C 3.232434 1.706816 -0.197580
C -2.872319 3.558395 -0.118965
C 2.438821 1.656514 -1.370370
C 2.699983 2.347392 0.946966
C 1.137238 2.209650 -1.337671
C 1.399254 2.897465 0.874977
H 0.555596 -0.021311 0.888405
H 1.747961 -2.837642 1.225237
H -2.602155 -0.855901 3.287947
H -1.802257 0.624068 2.704213
H 2.215601 -1.085806 -1.155514
H -4.528367 -0.006598 1.982972
H -4.512513 -0.158469 0.176224
H 4.389902 -0.727476 -1.786421
H 5.721366 -1.172905 -0.660810
H -4.367446 -1.803310 -2.171455
H -3.224508 4.027119 0.812256
H -3.218388 4.130191 -0.994565
H -1.762243 3.556937 -0.126860
H 2.820051 1.220557 -2.300389
H 3.273500 2.398770 1.876743
H 0.491914 2.167415 -2.221706
H 0.964298 3.403147 1.744102


