%chk=000002675.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002675

0 1
 S    3.262000       1.504600       2.030400    
 S   -3.441600       2.964300      -1.910800    
 O    2.358200      -2.674000      0.2019000    
 O    4.357500      -1.681300      -2.030700    
 O    6.099400      -1.981800     -0.5797000    
 O  -0.7761000       1.259900       2.062100    
 O   -4.126800     -0.9829000      0.1164000    
 O   -6.637300      -3.516300     -0.1984000    
 O   -6.582500      -1.380000     -0.9863000    
 N    3.221900     -0.4795000      0.2672000    
 N   3.5900000E-02 -0.5378000      0.7895000    
 N   -2.886300     -0.9797000      0.7691000    
 N   -4.144800       1.714800      0.2402000    
 N   -5.677200       3.346100     -0.5221000    
 C    2.366900      0.5865000      0.7581000    
 C    1.422000     -0.5294000       1.253800    
 C    2.351900      -1.494100      0.4649000    
 C    4.479900     -0.2818000     -0.2087000    
 C    4.589900       2.011900      0.8831000    
 C    5.140400      0.8800000      1.7400000E-02
 C    5.091400      -1.408000     -0.9350000    
 C  -0.9120000      0.3614000       1.247300    
 C    6.455100       1.193800     -0.5105000    
 C   -2.269100      0.1544000      0.6262000    
 C    6.835500      0.8753000      -1.741800    
 C   -2.920000       1.212000     -0.1537000    
 C   -2.380800       1.765100      -1.296200    
 C   -4.516600       2.643900     -0.6121000    
 C   -4.729800      -2.251100      0.3222000    
 C   -6.066800      -2.296400     -0.3640000    
 H    1.956400       1.202400     -5.1600002E-02
 H    1.463100     -0.7369000       2.331800    
 H  -0.2625000      -1.227300      0.1032000    
 H    5.381100       2.436700       1.510900    
 H    4.209800       2.813000      0.2389000    
 H    7.154500       1.701400      0.1476000    
 H    7.837500       1.127700      -2.075300    
 H    6.188200      0.4063000      -2.473100    
 H    4.729600      -2.427100      -2.547900    
 H   -1.446100       1.533100      -1.787300    
 H   -4.089600      -3.031200     -0.1036000    
 H   -4.880200      -2.414200       1.394800    
 H   -5.926800       4.055800      -1.202900    
 H   -6.340800       3.187600      0.2291000    
 H   -7.512600      -3.573700     -0.6376000    


%chk=000002675-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002675

0 1
S 3.492069 2.556660 -0.079156
S -5.133230 3.956853 1.538425
O 2.103769 -1.317011 2.202278
O 3.966549 -2.854967 0.239688
O 5.849282 -2.063811 1.359582
O -0.799880 2.568929 1.527342
O -3.711553 -0.678163 -0.483374
O -4.527862 -3.881369 -2.011445
O -5.906346 -2.090488 -1.438587
N 3.114026 -0.166482 0.295870
N -0.051003 0.602983 0.542552
N -2.441847 -0.148790 -0.068177
N -4.889875 1.589833 0.282429
N -7.132466 2.406686 0.273732
C 2.399420 1.022874 -0.221336
C 1.323263 0.817913 0.909953
C 2.170425 -0.434531 1.332588
C 4.448637 -0.527218 0.036694
C 4.906418 1.739093 -1.052820
C 5.297791 0.324645 -0.640938
C 4.870647 -1.851836 0.616180
C -1.051243 1.491709 0.906788
C 6.642628 -0.082943 -1.099157
C -2.460462 1.057442 0.495368
C 6.951078 -1.271162 -1.689120
C -3.603204 1.944187 0.746021
C -3.531609 3.162608 1.430384
C -5.799276 2.486907 0.589941
C -3.447265 -2.019914 -1.029005
C -4.774799 -2.600603 -1.487996
H 2.041472 0.913515 -1.256990
H 1.363943 1.621172 1.667907
H -0.360315 -0.257817 0.076617
H 5.768712 2.414941 -0.911168
H 4.637741 1.770613 -2.124629
H 7.434140 0.672997 -0.987183
H 7.977735 -1.502219 -1.991686
H 6.190511 -2.036383 -1.883889
H 4.163835 -3.683804 0.754768
H -2.647222 3.621933 1.862670
H -2.751152 -1.966298 -1.886768
H -3.002143 -2.677033 -0.258822
H -7.794915 3.130126 0.533881
H -7.450432 1.578243 -0.226294
H -5.384191 -4.286519 -2.316319


