%chk=000002626.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002626

0 1
 S   0.5764000     -0.2720000      -2.149900    
 S   -4.000700     -0.1907000     -0.6933000    
 S    6.361900       1.462800     -0.3964000    
 O    2.410900      -2.519700      -1.221300    
 O    1.330700      -2.589200       1.810000    
 O  -0.7819000     -0.5159000       2.951200    
 O   -2.437600      -1.629600       1.833900    
 O    4.633000     -0.6806000      -1.846800    
 N   0.5137000     -0.8526000      0.4401000    
 N    3.664100      -1.014000      0.2353000    
 N   -6.731700      0.2507000     -0.6479000    
 N   -5.600300       1.868300      0.2498000    
 N   -7.648400       1.144600     -0.2519000    
 N   -6.950600       2.131500      0.2968000    
 N    5.346200       4.949600      0.3404000    
 C    1.405100     -0.2657000     -0.5438000    
 C    2.350100      -1.452400     -0.2543000    
 C    1.371600      -1.785200      0.9081000    
 C  -0.7593000     -0.4305000      0.6523000    
 C   -1.394500      0.3738000     -0.2332000    
 C  -0.7914000      0.7895000      -1.573100    
 C   -2.775400      0.9501000     -3.0999999E-02
 C   -1.439100     -0.9382000       1.853200    
 C    4.702200     -0.6625000     -0.6188000    
 C    2.846000      -3.774200     -0.7188000    
 C    5.952900     -0.2258000      0.1056000    
 C   -5.487500      0.6996000     -0.3382000    
 C    5.191600       2.349000      0.6599000    
 C   -7.137800     -0.9700000      -1.297300    
 C    5.279900       3.799300      0.4793000    
 H    1.786700      0.7162000     -0.2368000    
 H    3.830400     -0.9591000       1.237300    
 H  -0.4322000       1.822200      -1.503200    
 H   -1.552000      0.7559000      -2.359900    
 H   -2.856500       1.927400     -0.5207000    
 H   -2.969900       1.118900       1.034100    
 H    3.126800      -4.402000      -1.569000    
 H    2.031100      -4.269600     -0.1843000    
 H    3.717500      -3.669300     -6.6399999E-02
 H    6.764200     -0.8947000     -0.1989000    
 H    5.859000     -0.2943000       1.192900    
 H   -1.203100     -0.8330000       3.778500    
 H    4.174700       2.018300      0.4265000    
 H    5.397100       2.098300       1.705500    
 H   -6.796300      -1.814900     -0.6944000    
 H   -8.227600     -0.9941000      -1.381000    
 H   -6.691600     -0.9985000      -2.294300    


%chk=000002626-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002626

0 1
S -0.110262 -0.830323 -2.437616
S -3.985976 0.461340 0.781865
S 5.098906 1.934976 0.774550
O 2.171579 -2.581344 -1.730045
O 1.479474 -2.235256 1.539475
O 0.734310 0.526796 2.676164
O -1.570477 0.835825 2.689175
O 3.931547 0.559035 -2.263347
N 0.744744 -0.359741 0.143368
N 3.629161 -1.006155 -0.543973
N -6.152704 -0.333742 -0.800834
N -4.499591 0.539666 -2.012430
N -6.569996 -0.376295 -2.155683
N -5.561985 0.157998 -2.862863
N 3.573011 2.451690 4.195912
C 1.266284 -0.326578 -1.250352
C 2.266790 -1.462027 -0.851606
C 1.468287 -1.513416 0.526492
C -0.412787 0.307966 0.595140
C -1.349836 0.763581 -0.315708
C -1.227255 0.571439 -1.818491
C -2.551036 1.569471 0.108539
C -0.518945 0.567582 2.057306
C 4.318999 0.028161 -1.187900
C 2.828497 -3.815334 -1.252637
C 5.545484 0.515257 -0.414506
C -4.898370 0.225051 -0.746550
C 4.122697 0.938886 2.085083
C -7.014695 -0.834462 0.270691
C 3.837016 1.780899 3.244967
H 1.697606 0.633762 -1.559678
H 4.044599 -1.404444 0.302698
H -0.875503 1.516409 -2.276900
H -2.231624 0.371074 -2.238816
H -2.986730 2.121960 -0.737612
H -2.358488 2.235207 0.960957
H 2.608213 -4.567326 -2.023609
H 2.411637 -4.135041 -0.279908
H 3.923789 -3.675048 -1.176206
H 6.256749 0.975929 -1.116811
H 6.054545 -0.280252 0.158139
H 0.631629 0.692017 3.652328
H 3.168217 0.590292 1.657459
H 4.739827 0.077050 2.397361
H -7.184452 -0.047525 1.025253
H -7.974116 -1.123662 -0.181584
H -6.560370 -1.713648 0.758542


