%chk=000052896.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052896

0 1
 S    2.159500      -1.968300     -0.3082000    
 O   0.1016000      -1.116000       1.719200    
 N    3.583600      0.1916000      0.4378000    
 N    1.841800      0.6022000     -0.9719000    
 C    3.690200       1.612000      0.2889000    
 C    2.517100       1.902300     -0.6628000    
 C    2.537200     -0.2710000     -0.2935000    
 C   0.3693000      -1.861800     -0.5668000    
 C   -1.572800     -0.3698000      0.2559000    
 C  -0.3549000      -1.105000      0.5574000    
 C   -2.413400     -0.8029000     -0.7695000    
 C   -1.900200      0.7688000      0.9920000    
 C   -3.581500     -9.7400002E-02  -1.058700    
 C   -3.068400       1.474300      0.7029000    
 C   -3.908900       1.041000     -0.3226000    
 H    4.647600       1.898000     -0.1562000    
 H    3.566000       2.126000       1.246400    
 H    1.796200       2.583800     -0.1987000    
 H    2.871200       2.358300      -1.593300    
 H    4.205100     -0.3667000       1.009300    
 H   0.1841000      -1.389400      -1.535900    
 H  -3.3900000E-02  -2.879100     -0.5971000    
 H   -2.192900      -1.694700      -1.349300    
 H   -1.255200       1.125200       1.791100    
 H   -4.238100     -0.4365000      -1.854700    
 H   -3.323000       2.361500       1.275200    
 H   -4.818700       1.590000     -0.5475000    


%chk=000052896-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052896

0 1
S 1.936131 -1.657742 0.345265
O -0.246567 -0.255199 1.966246
N 4.171348 -0.023743 0.342039
N 2.420426 0.769296 -0.936329
C 4.684066 1.302907 -0.089532
C 3.537324 1.768913 -1.070102
C 2.868333 -0.168088 -0.134398
C 0.260331 -1.095341 -0.282128
C -2.064542 -0.175467 0.384487
C -0.650125 -0.492780 0.795425
C -2.525204 -0.301746 -0.954496
C -2.965898 0.276917 1.387079
C -3.860703 0.017344 -1.281343
C -4.299469 0.590764 1.060261
C -4.750813 0.461216 -0.275953
H 5.660789 1.213345 -0.596793
H 4.794759 1.987708 0.774363
H 3.165293 2.779307 -0.827157
H 3.885319 1.777359 -2.119447
H 4.523001 -0.512389 1.164380
H 0.494234 -0.325678 -1.048351
H -0.209301 -1.965144 -0.769732
H -1.847371 -0.634105 -1.747513
H -2.590075 0.373433 2.411147
H -4.207279 -0.077127 -2.316198
H -4.987567 0.935997 1.839631
H -5.787840 0.706443 -0.531450


