%chk=000167682.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000167682

0 1
 S  -0.5196000      -1.375600     -7.1800001E-02
 O   -4.039000      0.3287000      0.1246000    
 N    2.000000     -0.5302000     -0.1771000    
 N   0.2757000       1.084100     -6.8999998E-02
 C   -1.104000       1.090800     -3.4000000E-03
 C   -1.713000     -0.1465000      4.9999999E-03
 C   0.6634000     -0.1535000     -0.1078000    
 C    3.094500      0.3979000     -0.2132000    
 C   -1.789300       2.398800      5.1300000E-02
 C   -3.092800     -0.4981000      6.4999998E-02
 C   -3.508600      -1.974300      6.0300000E-02
 C    4.376600     -0.3628000     -0.2845000    
 C    5.356200     -0.2593000      0.6208000    
 H    2.216400      -1.523800     -0.2011000    
 H    3.015800       1.038900      -1.098900    
 H    3.068300       1.046600      0.6702000    
 H   -1.068200       3.222400      3.0400001E-02
 H   -2.459900       2.521700     -0.8050000    
 H   -2.374600       2.492000      0.9716000    
 H   -3.184700      -2.457400     -0.8654000    
 H   -4.600300      -2.041600      0.1107000    
 H   -3.099800      -2.487000      0.9351000    
 H    4.525300      -1.023800      -1.135000    
 H    6.270300     -0.8320000      0.5084000    
 H    5.266300      0.3916000       1.483300    


%chk=000167682-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000167682

0 1
S -0.564130 -1.604290 0.344534
O -3.991778 0.487245 -0.381756
N 2.055605 -0.653977 0.579104
N 0.314854 0.929299 0.143464
C -1.063254 0.991164 -0.049142
C -1.753279 -0.234643 0.012707
C 0.748036 -0.317398 0.359377
C 3.149209 0.345626 0.588346
C -1.697970 2.331148 -0.303966
C -3.186830 -0.476745 -0.151843
C -3.695222 -1.913420 -0.041455
C 4.217664 0.002511 -0.429927
C 5.524519 -0.193485 -0.124614
H 2.304108 -1.634551 0.711806
H 2.675922 1.316521 0.358588
H 3.589634 0.410298 1.602130
H -0.920485 3.110924 -0.294826
H -2.230728 2.337931 -1.270759
H -2.467787 2.553844 0.455117
H -3.223535 -2.559517 -0.806087
H -4.786541 -1.921319 -0.184571
H -3.454727 -2.343721 0.949176
H 3.873295 -0.075595 -1.471086
H 6.267249 -0.419426 -0.897230
H 5.891174 -0.120825 0.907413


