%chk=000049969.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049969

0 1
 S    5.366800     -0.8397000      0.2008000    
 O    6.006400     -0.6306000       1.686900    
 O    5.800000      0.2533000     -0.6512000    
 O    5.548300      -2.225600     -0.1930000    
 C   -1.100800      6.1999999E-02  -1.176700    
 C   0.4082000     -0.1643000      -1.438800    
 C   -1.746200      -1.196800     -0.5519000    
 C    1.288800     -0.2785000     -0.1881000    
 C   -3.274800      -1.097700     -0.4596000    
 C   -1.348300       1.369300     -0.4371000    
 C    2.750700     -0.5393000     -0.5676000    
 C   -3.874700      -2.362100      0.1594000    
 C    3.676800     -0.5893000      0.6399000    
 C   -5.399300      -2.277700      0.2271000    
 C   -1.393000       2.572000      -1.142500    
 C   -1.530700       1.364900      0.9458000    
 C   -5.997700      -3.518400      0.8709000    
 C   -1.620100       3.770000     -0.4652000    
 C   -1.757900       2.562900       1.623200    
 C   -1.802500       3.765500      0.9177000    
 H   -1.570400      0.1710000      -2.166000    
 H   0.7873000      0.6621000      -2.055100    
 H   0.5278000      -1.072100      -2.044600    
 H   -1.332100      -1.411600      0.4392000    
 H   -1.495400      -2.064800      -1.176300    
 H   0.9369000      -1.092800      0.4541000    
 H    1.237300      0.6468000      0.3959000    
 H   -3.688600     -0.9518000      -1.465000    
 H   -3.581100     -0.2345000      0.1391000    
 H    2.822300      -1.483700      -1.121300    
 H    3.090600      0.2470000      -1.253100    
 H   -3.581900      -3.237800     -0.4325000    
 H   -3.468800      -2.503200       1.168500    
 H    3.624700      0.3584000       1.186600    
 H    3.387500      -1.399600       1.316800    
 H   -5.698700      -1.395000      0.8042000    
 H   -5.811000      -2.160700     -0.7821000    
 H   -1.251000       2.589200      -2.219700    
 H   -1.483700      0.4535000       1.532500    
 H   -5.743100      -4.417500      0.3009000    
 H   -7.088600      -3.437400      0.9081000    
 H   -5.631300      -3.644800       1.894600    
 H   -1.654200       4.706400      -1.014300    
 H   -1.895500       2.560500       2.700600    
 H   -1.978000       4.698400       1.445200    
 H    5.815800      -1.348400       2.335500    


%chk=000049969-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049969

0 1
S 5.451307 -0.866046 0.237530
O 5.985461 -1.108691 2.011655
O 6.071433 0.514773 -0.335154
O 5.673694 -2.236040 -0.594813
C -1.149925 0.062823 -1.155377
C 0.376602 -0.151459 -1.427942
C -1.794747 -1.174012 -0.475833
C 1.251208 -0.339439 -0.166849
C -3.339497 -1.138659 -0.457542
C -1.390935 1.394128 -0.431208
C 2.750269 -0.475188 -0.542310
C -3.966571 -2.397523 0.182398
C 3.597455 -0.651630 0.716066
C -5.512206 -2.369223 0.192782
C -1.472693 2.589710 -1.193016
C -1.484986 1.498814 0.981313
C -6.134441 -3.631637 0.827536
C -1.636645 3.847491 -0.572051
C -1.650707 2.754352 1.609692
C -1.725163 3.935415 0.836759
H -1.619618 0.154750 -2.158411
H 0.758332 0.719621 -1.997755
H 0.491392 -1.038454 -2.084549
H -1.421775 -1.293424 0.561298
H -1.461132 -2.080147 -1.023421
H 0.928762 -1.242945 0.387368
H 1.112175 0.525265 0.510591
H -3.712370 -1.032742 -1.498033
H -3.683903 -0.237492 0.087958
H 2.887356 -1.344117 -1.214603
H 3.075510 0.427778 -1.093641
H -3.621760 -3.301048 -0.363556
H -3.597255 -2.505352 1.224222
H 3.618516 0.226420 1.380534
H 3.388688 -1.574514 1.280003
H -5.855201 -1.469065 0.742566
H -5.880412 -2.255940 -0.847417
H -1.412562 2.530581 -2.287701
H -1.439371 0.595546 1.600668
H -5.834283 -4.542466 0.275561
H -7.238967 -3.584329 0.825444
H -5.803466 -3.751971 1.876471
H -1.700305 4.754705 -1.183740
H -1.723939 2.810038 2.702044
H -1.855532 4.908315 1.323642
H 6.979011 -1.219475 2.022621


