%chk=000006689.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006689

0 1
 S   0.3482000      -3.859500      0.5717000    
 S    4.926500      0.1639000      -1.617100    
 O   -1.493300       2.627100      0.5259000    
 O   -4.457100      -1.674000     -0.5969000    
 O   0.4606000      -4.370700     -0.9752000    
 O    1.703800      -3.666200       1.059000    
 O  -0.5808000      -4.728800       1.272600    
 O    5.854200     -0.9692000     -0.8931000    
 O    3.931300     -0.5407000      -2.409100    
 O    5.804300       1.148400      -2.226900    
 N   0.6382000       1.203200       1.013600    
 N   -2.495600      -3.308000     -0.1727000    
 N    6.162900       2.022500      0.4599000    
 C   -1.551000      0.2648000      0.3433000    
 C   -2.324800     -0.8600000      4.9699999E-02
 C  -0.2066000      0.1130000      0.7030000    
 C   -1.753900      -2.136700      0.1155000    
 C  -0.4136000      -2.283500      0.4741000    
 C   -2.140500       1.617700      0.2772000    
 C   -3.560400       1.763500     -0.1028000    
 C   -4.334300      0.6387000     -0.3961000    
 C   -3.744800     -0.7142000     -0.3307000    
 C   0.3583000      -1.161100      0.7673000    
 C    2.022300       1.404400      0.8693000    
 C   -4.131300       3.040200     -0.1684000    
 C   -5.679000      0.7905000     -0.7552000    
 C    2.719500      0.7739000     -0.1642000    
 C    4.092700      0.9737000     -0.3071000    
 C   -5.471700       3.187000     -0.5265000    
 C   -6.243800       2.064600     -0.8195000    
 C    2.706800       2.235800       1.759300    
 C    4.772900       1.804300      0.5833000    
 C    4.080000       2.435400       1.616500    
 H    1.391800      -1.280900       1.077400    
 H   0.1586000       1.974600       1.467900    
 H   -3.552800       3.932600      5.4699998E-02
 H   -6.304600     -6.6799998E-02 -0.9886000    
 H   -2.064800      -4.221000     -0.1519000    
 H   -3.468500      -3.244800     -0.4366000    
 H    2.181500      0.1493000     -0.8711000    
 H   -5.914000       4.177700     -0.5772000    
 H    2.178800       2.732800       2.569200    
 H   -7.287100       2.181800      -1.098100    
 H    4.597500       3.085200       2.317800    
 H    1.013900      -3.808900      -1.567400    
 H    6.699500       1.569300     -0.2660000    
 H    6.634500       2.627400       1.119600    
 H    5.362800      -1.655900     -0.3837000    


%chk=000006689-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000006689

0 1
S 1.037673 -3.328711 0.019156
S 4.621331 -0.847714 -1.020699
O -1.747327 2.906656 0.666497
O -4.347467 -1.796449 -0.654994
O 1.455346 -3.210661 -1.726963
O 2.386671 -2.972665 0.878826
O 0.269361 -4.734992 0.196217
O 4.832341 -2.011360 0.347437
O 3.413162 -1.419382 -1.971690
O 6.112373 -0.613893 -1.594734
N 0.539367 1.698358 0.800979
N -2.137624 -3.141706 -0.461334
N 6.227632 1.452910 0.521370
C -1.604404 0.520662 0.321750
C -2.276413 -0.717109 -0.006459
C -0.197764 0.527784 0.613272
C -1.547187 -1.968958 -0.095585
C -0.157484 -1.886177 0.261328
C -2.343328 1.796260 0.360178
C -3.790136 1.789422 0.057258
C -4.455996 0.570569 -0.262439
C -3.716632 -0.717513 -0.318924
C 0.468935 -0.732062 0.679550
C 1.951451 1.739743 0.658031
C -4.521142 3.005025 0.094161
C -5.846207 0.584691 -0.542465
C 2.597707 0.840750 -0.220933
C 3.988631 0.708613 -0.196238
C -5.899810 3.009101 -0.185748
C -6.564144 1.794803 -0.504542
C 2.776581 2.620522 1.416367
C 4.854995 1.565582 0.542856
C 4.176419 2.563632 1.323654
H 1.495264 -0.796069 1.046493
H -0.062241 2.549426 0.875961
H -3.982932 3.924073 0.344336
H -6.332156 -0.364461 -0.786847
H -1.608890 -4.019662 -0.434559
H -3.150020 -3.084973 -0.675245
H 2.026617 0.218429 -0.914496
H -6.462066 3.948429 -0.158473
H 2.311224 3.344606 2.093782
H -7.637535 1.800592 -0.721712
H 4.783348 3.266460 1.905580
H 2.279886 -2.590846 -1.837867
H 6.681402 0.790500 -0.115197
H 6.801999 2.042034 1.118196
H 3.926287 -2.471869 0.530609


