%chk=000034642.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034642

0 1
 S  -0.2674000     -0.8413000     -0.6286000    
 S    1.095200      -2.228000      3.3799998E-02
 O   -2.651600       2.069000     -0.7524000    
 O   -1.748300       2.006900       1.326100    
 O    4.513300      -2.374800     -0.1567000    
 O    1.775600       2.544800      -1.238800    
 O    2.477900       2.367900      0.9085000    
 O   -4.983400      -1.899900      0.2647000    
 N   -3.507000     -0.3837000     -0.7304000    
 N    2.619000      0.5671000     -0.5625000    
 C   -2.739600     -1.8200001E-02  0.4339000    
 C    3.200500     -0.4023000      0.3282000    
 C   -1.554500     -0.9609000      0.6577000    
 C    2.162100      -1.221100       1.091900    
 C   -2.319100       1.441800      0.4011000    
 C    4.165900      -1.242300     -0.4820000    
 C    2.311200       1.860100     -0.1935000    
 C   -4.549700      -1.285100     -0.7010000    
 H   -3.415800     -0.1101000       1.294100    
 H    3.814000      0.1471000       1.053100    
 H   -1.910100      -1.996600      0.6971000    
 H   -1.087900     -0.7238000       1.620500    
 H    2.677700      -1.913800       1.766800    
 H    1.545200     -0.5745000       1.726200    
 H   -3.256100      3.2499999E-02  -1.622800    
 H    2.397700      0.2839000      -1.512800    
 H    4.645500     -0.7435000      -1.342700    
 H   -4.982900      -1.407600      -1.707500    
 H   -2.376900       3.010700     -0.7503000    
 H    1.549600       3.467300     -0.9935000    


%chk=000034642-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000034642

0 1
S -0.484224 -1.479395 -1.073490
S 1.286285 -2.427572 0.020440
O -1.305033 1.796926 0.091869
O -0.807971 0.551218 1.992360
O 4.699872 -1.239723 1.503885
O 1.620258 1.704391 -2.422129
O 1.244323 2.359351 -0.202470
O -5.043988 -1.234148 -0.507105
N -3.270721 0.269508 -0.697718
N 2.469162 0.429406 -0.745764
C -2.558391 -0.244896 0.478399
C 2.759772 0.011583 0.631051
C -1.886010 -1.624973 0.218054
C 1.818984 -1.065001 1.220193
C -1.489681 0.740629 0.958018
C 4.249621 -0.377246 0.720997
C 1.744546 1.546025 -1.042354
C -4.481940 -0.260614 -1.086568
H -3.288473 -0.410511 1.295860
H 2.646449 0.922348 1.259709
H -2.636730 -2.329690 -0.170237
H -1.436890 -2.016954 1.143625
H 2.360604 -1.613627 2.013028
H 0.911760 -0.615314 1.648498
H -2.865195 1.085200 -1.164595
H 2.670203 -0.218698 -1.511581
H 4.912632 0.205652 0.032972
H -4.918080 0.259948 -1.968234
H -0.392471 2.241023 0.206283
H 1.071427 2.506754 -2.614797


