%chk=000048204.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048204

0 1
 S   0.6196000       1.419900       1.322600    
 O   -1.148700      5.0900001E-02  -1.648100    
 N   -1.961300     -0.1399000      0.5004000    
 C   0.4747000     -3.1800002E-02  0.1849000    
 C    1.564200      8.8000000E-02 -0.9157000    
 C   0.7232000      -1.330100       1.000500    
 C  -0.9414000     -3.4600001E-02 -0.4376000    
 C    3.010900      6.3500002E-02 -0.4261000    
 C   0.7024000      -2.632200      0.2021000    
 C   0.3115000       2.703400      9.4700001E-02
 C   -3.355000     -0.1571000      0.1225000    
 H    1.412600      0.9788000      -1.535100    
 H    1.443400     -0.7365000      -1.631400    
 H  -3.7400000E-02  -1.429400       1.786100    
 H    1.677200      -1.276700       1.539800    
 H    3.270300     -0.8842000      5.2800000E-02
 H    3.683300      0.1781000      -1.283600    
 H    3.233200      0.8801000      0.2655000    
 H  -0.2298000      -2.742500     -0.3597000    
 H   0.7836000      -3.485600      0.8836000    
 H    1.540800      -2.694800     -0.4969000    
 H   -1.736900     -0.1291000       1.490300    
 H   0.1457000       3.643600      0.6305000    
 H  -0.5803000       2.520100     -0.5073000    
 H    1.180500       2.860400     -0.5480000    
 H   -3.936500     -0.5647000      0.9523000    
 H   -3.494100     -0.7710000     -0.7712000    
 H   -3.671000      0.8683000     -8.5600004E-02


%chk=000048204-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048204

0 1
S 0.610194 1.344602 1.411296
O -1.130130 -0.757118 -1.589053
N -1.971102 0.132765 0.391780
C 0.499037 -0.138342 0.159556
C 1.522993 0.035362 -0.988674
C 0.777200 -1.387739 1.059127
C -0.937509 -0.258721 -0.434033
C 3.001915 0.046725 -0.556376
C 0.793150 -2.727646 0.288758
C 0.273243 2.810262 0.276529
C -3.380253 -0.019483 0.018045
H 1.284985 0.965635 -1.539563
H 1.336261 -0.778469 -1.713134
H 0.006922 -1.429695 1.853636
H 1.748936 -1.239676 1.566996
H 3.312391 -0.922871 -0.126338
H 3.649814 0.243214 -1.430016
H 3.194834 0.828973 0.200375
H -0.147014 -2.889246 -0.266059
H 0.927796 -3.565133 0.997190
H 1.621866 -2.766980 -0.440286
H -1.706889 0.580507 1.277842
H 0.133908 3.682178 0.934925
H -0.644757 2.634611 -0.306869
H 1.129041 2.985287 -0.392115
H -3.909429 -0.694268 0.716723
H -3.412807 -0.456316 -0.993382
H -3.899899 0.956480 0.005420


