%chk=000113081.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113081

1 1
 S    4.079700      0.6641000      0.3867000    
 S   -2.805300      -1.770800      0.3504000    
 S  -0.3107000      -3.171800     -0.6721000    
 O    5.355900      0.7773000     -0.6227000    
 O    4.227900     -0.5333000       1.193900    
 O    3.847300       1.963100      0.9916000    
 N  -0.8749000     -0.5037000     -0.6285000    
 C   0.4017000     -0.1866000      -1.235200    
 C    1.501000      4.5499999E-02 -0.2023000    
 C   -1.788100      0.4699000     -0.2918000    
 C    2.842200      0.3784000     -0.8391000    
 C   -1.250200      -1.734800     -0.3591000    
 C   -2.944500     -5.0900001E-02  0.2755000    
 C   -1.633700       1.851700     -0.4727000    
 C   -3.991900      0.7863000      0.6844000    
 C   -2.676000       2.690400     -6.6399999E-02
 C   -3.835700       2.165000      0.5027000    
 C  -0.1449000      -3.839800       1.004900    
 H   0.3002000      0.6932000      -1.880900    
 H   0.7017000     -0.9787000      -1.931200    
 H    1.602400     -0.8423000      0.4328000    
 H    1.201900      0.8585000      0.4708000    
 H    2.772800       1.278300      -1.458100    
 H    3.180600     -0.4568000      -1.461000    
 H  -0.7421000       2.296600     -0.9016000    
 H   -4.897400      0.3853000       1.128200    
 H   -2.579400       3.765500     -0.1937000    
 H   -4.632500       2.836900      0.8116000    
 H    5.644800     -6.9100000E-02  -1.038200    
 H   -1.110300      -4.184000       1.384500    
 H   0.2654000      -3.083900       1.680400    
 H   0.5392000      -4.692500      0.9825000    


%chk=000113081-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000113081

1 1
S 4.173203 1.251731 0.190648
S -2.688854 -1.758414 0.949963
S -0.158244 -3.345486 -0.061009
O 5.205526 1.797443 -1.238625
O 5.009089 0.280234 1.172654
O 3.320880 2.486237 0.798895
N -0.712181 -0.670938 -0.410779
C 0.578931 -0.490325 -1.140324
C 1.691005 0.007400 -0.184538
C -1.591730 0.423365 -0.151363
C 2.998539 0.231158 -0.951609
C -1.119427 -1.863221 0.102195
C -2.743788 0.027198 0.575907
C -1.417595 1.770323 -0.538671
C -3.751383 0.938446 0.932575
C -2.423470 2.690714 -0.183626
C -3.575515 2.284181 0.540168
C -1.287416 -4.621941 0.758696
H 0.398019 0.229997 -1.956563
H 0.848509 -1.453567 -1.607547
H 1.845342 -0.725067 0.628456
H 1.378244 0.961717 0.280740
H 2.899372 0.878912 -1.836892
H 3.576801 -0.676058 -1.181765
H -0.533900 2.106326 -1.087830
H -4.637929 0.628928 1.492702
H -2.309706 3.740540 -0.468676
H -4.338587 3.022433 0.802797
H 6.016127 2.277395 -0.901023
H -2.236686 -4.690675 0.208208
H -1.434428 -4.364579 1.817629
H -0.731651 -5.567407 0.674907


