%chk=000005127.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005127

0 1
 S    3.308200      0.5861000      0.1047000    
 O   0.7045000      -1.420000       1.464100    
 O   0.9995000      -2.332900     -0.5916000    
 N    4.564600       1.165000     -0.5538000    
 N    3.652800     -0.8238000      0.5950000    
 C   0.6537000      7.5099997E-02 -0.4056000    
 C    1.967100      0.5412000      -1.042000    
 C  -0.5852000      0.2100000      -1.315200    
 C   -1.921100      0.2524000     -0.6105000    
 C   0.8040000      -1.349600      0.1111000    
 C    2.770900       1.601400       1.440200    
 C   -2.597600     -0.9317000     -0.3683000    
 C   -2.443300       1.474800     -0.2207000    
 C   -3.831100     -0.8925000      0.2820000    
 C   -3.676700       1.514000      0.4295000    
 C   -4.370500      0.3303000      0.6810000    
 H   0.4616000      0.7146000      0.4650000    
 H    2.261500     -0.1169000      -1.867100    
 H    1.856800       1.556200      -1.439200    
 H  -0.4913000       1.128100      -1.911700    
 H  -0.5966000     -0.6031000      -2.053900    
 H    3.634700       1.843700       2.064100    
 H    2.338800       2.519500       1.037300    
 H    2.034700       1.065600       2.040900    
 H   -2.186800      -1.889000     -0.6756000    
 H   -1.909100       2.401500     -0.4095000    
 H    4.880400      0.6514000      -1.381500    
 H    3.907700      -1.478000     -0.1503000    
 H   -4.371400      -1.814100      0.4777000    
 H   -4.096500       2.466000      0.7409000    
 H   0.8063000      -2.339400       1.790500    
 H   -5.330700      0.3608000       1.187500    


%chk=000005127-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000005127

0 1
S 3.550714 0.423628 0.008986
O 0.645100 -0.948825 1.692133
O 0.598848 -2.183632 -0.280995
N 4.765540 1.404558 -0.748461
N 3.650587 -1.137750 0.761258
C 0.549882 0.288509 -0.377971
C 1.860326 0.572115 -1.121647
C -0.648132 0.324640 -1.393632
C -2.002922 0.252231 -0.702786
C 0.607264 -1.080333 0.305003
C 3.127627 1.477791 1.479396
C -2.663672 -0.990571 -0.523421
C -2.617866 1.428698 -0.201481
C -3.908525 -1.054585 0.142695
C -3.861611 1.367932 0.465450
C -4.511058 0.123615 0.640613
H 0.379989 1.055454 0.397733
H 2.068192 -0.158076 -1.922979
H 1.946099 1.607596 -1.487998
H -0.565655 1.261965 -1.975811
H -0.521071 -0.520489 -2.094654
H 4.053676 1.524731 2.066434
H 2.845063 2.467810 1.098197
H 2.321481 0.963690 2.018442
H -2.199452 -1.906978 -0.906978
H -2.124847 2.399244 -0.343941
H 5.228408 0.798278 -1.472955
H 4.003331 -1.798712 0.022789
H -4.408151 -2.021559 0.270079
H -4.325945 2.286429 0.841992
H 0.834084 -1.834730 2.104743
H -5.477406 0.074026 1.154769


