%chk=000050947.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050947

0 1
 S   -2.995000      -1.427800     -0.2349000    
 O    2.533700      0.3031000      0.8883000    
 O   -3.085900      -2.837900      0.1110000    
 O   -3.923800     -0.4741000      0.3516000    
 O   -2.298700       2.013900     -0.8873000    
 O   -2.785600       1.794900       1.351900    
 N   -3.042100      -1.269700      -1.934500    
 C    4.771500      0.4518000      4.9699999E-02
 C    3.570200     -0.4543000      0.2792000    
 C    5.921600     -0.2958000     -0.6191000    
 C   -1.364200     -0.8862000      0.1007000    
 C    1.246300     -8.9400001E-02  0.6284000    
 C   -1.082700      0.4559000      0.3556000    
 C   0.2271000      0.8558000      0.6203000    
 C  -0.3358000      -1.828500      0.1106000    
 C   0.9741000      -1.428700      0.3755000    
 C    7.103100      0.6230000     -0.8856000    
 C   -2.130600       1.468200      0.3551000    
 C   -3.303300       3.025800      -1.016500    
 H    5.098500      0.8740000       1.008200    
 H    4.466700       1.307600     -0.5659000    
 H    3.261300     -0.8530000     -0.6960000    
 H    3.846400      -1.283400      0.9410000    
 H    5.584400     -0.7280000      -1.568400    
 H    6.246300      -1.126300      1.8300001E-02
 H   0.4553000       1.899900      0.8200000    
 H  -0.5282000      -2.879400     -8.6300001E-02
 H    1.740600      -2.197100      0.4003000    
 H    6.818700       1.445700      -1.549300    
 H    7.485900       1.050000      4.6900000E-02
 H    7.915700      6.6799998E-02  -1.363200    
 H   -3.048500      -2.131100      -2.494300    
 H   -3.616300     -0.5139000      -2.327600    
 H   -4.286100       2.614200     -0.7684000    
 H   -3.314800       3.363200      -2.056100    
 H   -3.066400       3.877100     -0.3716000    


%chk=000050947-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050947

0 1
S -3.071460 -1.352923 -0.073901
O 2.685394 0.605376 -0.147588
O -2.929900 -2.967652 0.070938
O -3.936382 -0.543182 1.045555
O -3.149132 1.569777 -0.757470
O -1.804771 2.913288 0.598326
N -3.650724 -1.108702 -1.783781
C 5.101776 0.440448 -0.138603
C 3.804169 -0.365566 -0.198704
C 6.349529 -0.473788 -0.173860
C -1.311056 -0.651541 -0.196762
C 1.384641 0.113304 -0.172090
C -0.996767 0.728770 -0.114408
C 0.365638 1.094337 -0.088283
C -0.316717 -1.636164 -0.268638
C 1.042296 -1.260653 -0.267253
C 7.665235 0.331441 -0.114528
C -1.992616 1.844201 -0.020287
C -4.320979 2.450821 -0.509417
H 5.105909 1.048336 0.786040
H 5.127764 1.147191 -0.989724
H 3.738533 -0.949868 -1.139871
H 3.723571 -1.060018 0.662970
H 6.334069 -1.088372 -1.097043
H 6.313187 -1.184012 0.677168
H 0.639350 2.149358 0.001345
H -0.615631 -2.689406 -0.303487
H 1.810291 -2.035743 -0.328114
H 7.742988 1.027837 -0.970131
H 7.721403 0.931084 0.812986
H 8.545550 -0.335802 -0.140017
H -4.455662 -1.728657 -1.963701
H -3.815656 -0.101151 -1.936010
H -4.949836 1.945158 0.241467
H -4.843751 2.546896 -1.472489
H -3.980855 3.431876 -0.143035


