%chk=000139311.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000139311

0 1
 S   -3.018800      -1.077300      7.5999998E-02
 N  -8.9000002E-02   1.747200     -0.3929000    
 C   0.1127000     -0.4510000      0.6958000    
 C    1.630300     -0.5796000      0.4356000    
 C  -0.6671000      0.3993000     -0.3313000    
 C    2.326300      0.7805000      0.3660000    
 C    1.865800      -1.346200     -0.8695000    
 C   -2.160200      0.5271000      2.0400001E-02
 H  -0.2964000      -1.466700      0.7372000    
 H  -2.9300001E-02 -2.5300000E-02   1.699000    
 H    2.062700      -1.155600       1.263300    
 H  -0.5894000     -4.9500000E-02  -1.328100    
 H    2.350700       1.233000     -0.6268000    
 H    1.992000       1.475200       1.141000    
 H    3.389800      0.6117000      0.5891000    
 H    2.935200      -1.542800      -1.003900    
 H    1.523200     -0.7899000      -1.747600    
 H    1.352000      -2.313100     -0.8544000    
 H   -2.668300       1.143500     -0.7298000    
 H   -2.293000       1.015200      0.9925000    
 H   0.6522000       1.826500      -1.076600    
 H   0.1884000       2.102000      0.5153000    
 H   -2.493500      -1.501300       1.234500    


%chk=000139311-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000139311

0 1
S -2.955483 -1.287948 -0.214316
N -0.326348 1.959222 -0.390440
C 0.178236 -0.255537 0.779099
C 1.666047 -0.574625 0.442324
C -0.657080 0.516303 -0.280531
C 2.586164 0.669033 0.357933
C 1.798586 -1.442562 -0.833363
C -2.177523 0.433107 0.016046
H -0.324148 -1.225416 0.975507
H 0.135218 0.318515 1.731317
H 2.035396 -1.186725 1.293654
H -0.498455 0.061882 -1.276505
H 2.380934 1.268620 -0.547507
H 2.460468 1.327605 1.237945
H 3.647261 0.358222 0.315851
H 2.843872 -1.775375 -0.973761
H 1.507827 -0.878537 -1.739677
H 1.157343 -2.341800 -0.777565
H -2.712168 1.072237 -0.703539
H -2.409223 0.786344 1.036592
H 0.349657 2.197298 -1.119331
H -0.103137 2.408662 0.503046
H -2.507146 -1.845626 0.972022


