%chk=000014337.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000014337

0 1
 S   -2.774800      0.2557000      0.1907000    
 O  -0.8016000      -1.392400     -0.2663000    
 N  -0.1235000      0.7704000      0.3264000    
 C    1.296300      0.5278000      0.2393000    
 C    1.726100     -0.5423000       1.246200    
 C    1.687300      0.1386000      -1.188400    
 C    3.216200     -0.8537000       1.133600    
 C    3.177200     -0.1754000      -1.298000    
 C    3.604200      -1.239500     -0.2909000    
 C  -0.5135000       2.130700      0.7106000    
 C   -1.078200     -0.2397000      5.8400001E-02
 C  -0.6798000       3.023500     -0.5017000    
 C   -3.615500      -1.289400     -0.2195000    
 C   -5.120200      -1.114300     -0.1405000    
 H    1.834800       1.453000      0.4841000    
 H    1.173500      -1.477500       1.107200    
 H    1.501700     -0.2040000       2.265500    
 H    1.437300      0.9525000      -1.880000    
 H    1.131500     -0.7379000      -1.537900    
 H    3.476500      -1.667100       1.820300    
 H    3.796400      2.3800001E-02   1.444700    
 H    3.755900      0.7409000      -1.127600    
 H    3.409500     -0.5143000      -2.313900    
 H    4.688000      -1.389600     -0.3502000    
 H    3.133900      -2.196000     -0.5502000    
 H   -1.426500       2.133100       1.311000    
 H   0.2549000       2.545500       1.374500    
 H   0.2608000       3.112300      -1.055300    
 H   -1.434100       2.639000      -1.194600    
 H  -0.9832000       4.028800     -0.1931000    
 H   -3.334900      -1.599500      -1.231200    
 H   -3.302600      -2.071900      0.4792000    
 H   -5.440000     -0.8291000      0.8675000    
 H   -5.474700     -0.3554000     -0.8464000    
 H   -5.618600      -2.056700     -0.3908000    


%chk=000014337-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000014337

0 1
S -2.943218 0.403491 0.798242
O -0.963078 -1.395087 0.076857
N -0.207176 0.775773 0.528245
C 1.224920 0.446404 0.211717
C 1.828552 -0.562259 1.222201
C 1.436892 -0.021307 -1.250815
C 3.332684 -0.787097 0.931287
C 2.944127 -0.241097 -1.531509
C 3.563684 -1.244383 -0.529017
C -0.500037 2.170674 0.941174
C -1.173304 -0.195559 0.410170
C -0.657348 3.136734 -0.251895
C -3.845752 -1.227496 0.459211
C -4.610577 -1.200094 -0.871272
H 1.766991 1.407861 0.331695
H 1.280347 -1.518267 1.139745
H 1.685510 -0.184221 2.253254
H 1.018342 0.732609 -1.945468
H 0.883934 -0.963882 -1.411065
H 3.739707 -1.535970 1.637590
H 3.890929 0.156377 1.109850
H 3.483162 0.727329 -1.458292
H 3.078710 -0.602367 -2.569158
H 4.647204 -1.360784 -0.725448
H 3.098979 -2.240402 -0.677224
H -1.414142 2.181155 1.560108
H 0.327831 2.503366 1.595816
H 0.256269 3.159647 -0.873424
H -1.505138 2.829528 -0.888098
H -0.849630 4.163204 0.111099
H -3.051842 -1.994844 0.456059
H -4.510519 -1.382371 1.324734
H -5.358699 -0.388179 -0.897381
H -3.915997 -1.058245 -1.716843
H -5.142016 -2.160340 -1.019443


