%chk=000002669.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002669

0 1
 S   -1.380300     -0.5499000       2.180400    
 O   -1.063000       3.334300     -0.3546000    
 O   -5.201700      -1.871000     -0.2098000    
 O    2.477300     -0.3006000       1.219700    
 O   -4.027600       1.624300      -1.926300    
 O   -4.466100       2.873300     -6.1299998E-02
 O    8.139000      0.6395000      0.4307000    
 O    7.907500      -1.483500       1.192100    
 O   -7.510400      -1.821700     -0.1408000    
 N   -1.810800       1.168400      0.2027000    
 N    1.400000       1.291100     -7.8599997E-02
 N    6.977600      -2.393400      -1.189800    
 C  -0.8318000      0.1818000      0.6215000    
 C   0.1620000       1.353200      0.7179000    
 C  -0.9540000       2.202200      5.4900002E-02
 C   -3.136600      0.9071000      7.0000000E-02
 C   -3.693500     -0.2095000      0.5967000    
 C   -2.922100      -1.206900       1.458200    
 C    2.459900      0.4559000      0.2523000    
 C   -5.138800     -0.6103000      0.4229000    
 C    3.621700      0.6067000     -0.7153000    
 C   -3.951400       1.922200     -0.6142000    
 C    4.812800     -0.2953000     -0.3889000    
 C    5.962800     -0.1207000      -1.393400    
 C    7.217600     -0.9541000      -1.089500    
 C    7.778700     -0.6640000      0.2915000    
 C   -6.458500      -2.371600     -0.4375000    
 C   -6.370600      -3.707300      -1.111500    
 H  -0.6031000     -0.5436000     -0.1690000    
 H   0.3806000       1.708300       1.733900    
 H    1.497800       1.881700     -0.9013000    
 H   -2.680500      -2.095300      0.8646000    
 H   -3.542000      -1.526500       2.302500    
 H   -5.696400      0.1176000     -0.1758000    
 H   -5.617200     -0.6649000       1.408800    
 H    3.253600      0.3810000      -1.723500    
 H    3.938900       1.656600     -0.7026000    
 H    4.483500      -1.341400     -0.3802000    
 H    5.161000     -6.7699999E-02  0.6255000    
 H    5.600900     -0.3678000      -2.400000    
 H    6.241600      0.9407000      -1.421400    
 H    7.998500     -0.6996000      -1.816300    
 H   -4.565100       2.277800      -2.422600    
 H    6.612500      -2.614500      -2.115400    
 H    7.860800      -2.895300      -1.104700    
 H   -5.831000      -4.409700     -0.4713000    
 H   -5.868900      -3.602200      -2.076600    
 H   -7.379000      -4.094900      -1.282500    
 H    8.501200      0.8248000       1.323300    


%chk=000002669-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002669

0 1
S -1.500507 -0.806666 1.784966
O -1.067543 3.355660 -0.258687
O -5.643424 -1.777710 -0.462165
O 2.746250 0.923178 1.536911
O -3.165429 2.433785 -2.168818
O -5.141724 2.328234 -0.951542
O 8.071344 -0.110236 1.095249
O 7.428793 -2.339884 1.047104
O -6.268422 -2.583190 1.642955
N -1.842304 1.028454 -0.273978
N 1.411626 1.135136 -0.353602
N 6.653774 -2.181213 -1.598983
C -0.873511 0.012265 0.200583
C 0.179194 1.162848 0.399439
C -0.947371 2.133050 -0.096535
C -3.242070 0.882881 -0.361215
C -3.882493 -0.193170 0.220964
C -3.153764 -1.287850 0.984702
C 2.655052 1.052750 0.281636
C -5.374045 -0.415163 0.120615
C 3.872085 1.144535 -0.638090
C -3.964957 1.936969 -1.139897
C 4.903236 0.028393 -0.347416
C 6.224591 0.255055 -1.106155
C 7.202317 -0.960573 -1.001562
C 7.560500 -1.243398 0.458863
C -6.141158 -2.760128 0.410279
C -6.501760 -4.009673 -0.360168
H -0.628358 -0.757877 -0.547034
H 0.439263 1.317585 1.462709
H 1.378683 1.260408 -1.366940
H -2.964152 -2.153051 0.323698
H -3.786362 -1.642576 1.816928
H -5.875694 0.294740 -0.547984
H -5.838531 -0.380708 1.124705
H 3.572196 1.124719 -1.704371
H 4.344457 2.130525 -0.452920
H 4.492214 -0.956249 -0.639506
H 5.081916 0.003310 0.744078
H 6.020749 0.405932 -2.184758
H 6.736576 1.161434 -0.729680
H 8.154708 -0.646197 -1.486342
H -3.631249 3.194453 -2.609676
H 6.931367 -2.369888 -2.561395
H 6.659349 -2.997270 -0.981276
H -5.753148 -4.217832 -1.141239
H -7.474308 -3.861357 -0.863789
H -6.588033 -4.861217 0.330327
H 8.277476 -0.327923 2.044415


