%chk=000115773.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115773

0 1
 S   -1.983200      3.3199999E-02 -0.9189000    
 O   0.8066000     -0.9843000     -0.1275000    
 O    1.007300      0.5464000       1.557800    
 N    2.456600      0.6203000     -0.2594000    
 N   -4.075700       1.756700     -4.1400000E-02
 C  -0.2949000      -1.580400      0.5676000    
 C   -1.434200     -0.5712000      0.7079000    
 C  -0.7410000      -2.791800     -0.2407000    
 C    1.390200      9.6699998E-02  0.4791000    
 C    3.223100       1.773900      0.2010000    
 C    2.867700      4.6900000E-02  -1.532900    
 C   -3.222600       1.053500     -0.3928000    
 H   3.8500000E-02  -1.916300       1.557300    
 H   -1.187000      0.2919000       1.327500    
 H   -2.285100      -1.062500       1.195500    
 H   -1.654400      -3.236400      0.1665000    
 H  -0.8883000      -2.566900      -1.301800    
 H   4.4700000E-02  -3.556100     -0.2124000    
 H    3.140500       2.571700     -0.5425000    
 H    4.270400       1.479600      0.3133000    
 H    2.847700       2.137800       1.160800    
 H    3.911000     -0.2721000      -1.449600    
 H    2.787700      0.8196000      -2.303600    
 H    2.265000     -0.8106000      -1.837300    


%chk=000115773-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115773

0 1
S -1.997290 0.315154 -1.003230
O 0.746117 -0.794986 -0.183230
O 1.438859 0.319169 1.772827
N 2.607378 0.574920 -0.252728
N -4.892683 0.650525 -0.610060
C -0.376339 -1.382022 0.606661
C -1.494832 -0.341101 0.743964
C -0.769680 -2.675741 -0.106387
C 1.606412 0.071717 0.545153
C 3.590624 1.494931 0.341516
C 2.762361 0.259291 -1.681842
C -3.708749 0.502555 -0.738664
H -0.001022 -1.581639 1.629941
H -1.159499 0.529509 1.325986
H -2.398618 -0.783498 1.191174
H -1.583118 -3.179416 0.446356
H -1.117283 -2.474143 -1.133432
H 0.094769 -3.358503 -0.153044
H 3.557152 2.477605 -0.166657
H 4.612838 1.082037 0.244555
H 3.354508 1.630404 1.407201
H 3.746412 -0.214126 -1.864552
H 2.703265 1.184926 -2.286340
H 1.969017 -0.427968 -2.001669


