%chk=000100198.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100198

0 1
 S    4.483500     -0.5671000      0.3355000    
 O    2.597400      -2.048500     -0.7616000    
 O  -0.4739000       1.496000      -1.088500    
 O   -4.186200      -1.249600      0.9690000    
 N   0.6491000     -0.1650000      8.5299999E-02
 N   -5.296100      0.3940000     -0.1973000    
 C    1.981000      0.2547000     -0.2422000    
 C    2.575500       1.171300      0.8210000    
 C    4.079800       1.179700      0.6192000    
 C    2.883200     -0.9547000     -0.2994000    
 C  -0.4758000      0.5002000     -0.3719000    
 C   -1.732000     -0.1359000      0.1147000    
 C   -2.916500      0.3811000     -0.2347000    
 C   -4.169100     -0.2560000      0.2509000    
 H    1.994300      0.7416000      -1.224600    
 H    2.334100      0.8078000       1.829900    
 H    2.162100       2.183400      0.7479000    
 H    4.357900       1.763100     -0.2639000    
 H    4.610200       1.571100       1.491000    
 H   0.5413000     -0.9744000      0.6908000    
 H   -1.652100      -1.013700      0.7471000    
 H   -2.999500       1.258500     -0.8673000    
 H   -5.260400       1.215900     -0.7922000    
 H   -6.220700      6.3900001E-02  5.9300002E-02


%chk=000100198-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100198

0 1
S 4.695567 -0.424826 0.333994
O 2.704472 -2.262892 -0.178938
O -0.321189 1.624317 -0.596317
O -4.355416 -1.426540 0.544712
N 0.663941 -0.364029 0.099036
N -5.351744 0.548336 -0.176877
C 2.014147 0.116635 -0.179907
C 2.532842 1.248733 0.735561
C 4.045610 1.366473 0.463254
C 3.006668 -1.059239 -0.057467
C -0.442086 0.428297 -0.171899
C -1.756963 -0.231381 0.079768
C -2.925732 0.423506 -0.145619
C -4.245034 -0.240022 0.107005
H 2.058725 0.485580 -1.229551
H 2.348970 0.978529 1.791182
H 2.007572 2.192045 0.513967
H 4.262545 1.870885 -0.491926
H 4.594385 1.856383 1.280305
H 0.558016 -1.359725 0.320853
H -1.792799 -1.263901 0.453373
H -2.889258 1.456192 -0.518945
H -5.265873 1.499756 -0.530259
H -6.280265 0.154287 -0.027306


