%chk=000057406.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057406

0 1
 S    3.638600      0.3402000     -0.5073000    
 N    1.037500     -0.2435000     -0.3092000    
 C  -0.3589000     -0.1353000     -0.1425000    
 C    1.925300      0.8745000     -0.2054000    
 C  -0.9342000       1.104300      0.1374000    
 C   -1.164700      -1.268200     -0.2570000    
 C   -2.315100       1.211100      0.3028000    
 C   -2.545700      -1.161300     -9.1600001E-02
 C   -3.120700      7.8299999E-02  0.1883000    
 C    3.837900     -0.8002000      0.8846000    
 H    1.410900      -1.148700     -0.5694000    
 H    1.881200       1.339400      0.7851000    
 H    1.689800       1.631700     -0.9603000    
 H  -0.3434000       2.010200      0.2348000    
 H  -0.7287000      -2.239900     -0.4745000    
 H   -2.763500       2.176000      0.5208000    
 H   -3.173200      -2.043300     -0.1807000    
 H   -4.195900      0.1613000      0.3170000    
 H    3.201000      -1.680100      0.7663000    
 H    3.605100     -0.2981000       1.827300    
 H    4.877900      -1.135900      0.9214000    


%chk=000057406-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000057406

0 1
S 3.635173 -0.043577 -0.073185
N 1.034267 -0.115835 -1.290399
C -0.164533 -0.125925 -0.548796
C 2.171154 0.734489 -1.075973
C -0.473712 0.847329 0.444999
C -1.127620 -1.140739 -0.829250
C -1.710147 0.799235 1.123939
C -2.355839 -1.177373 -0.141462
C -2.662303 -0.207152 0.842715
C 2.780109 -0.355347 1.575542
H 1.178486 -0.908198 -1.918377
H 1.879493 1.665804 -0.570947
H 2.666247 0.985272 -2.028927
H 0.239350 1.638793 0.695803
H -0.905723 -1.897405 -1.593212
H -1.927591 1.558523 1.884287
H -3.077540 -1.968270 -0.376225
H -3.617474 -0.236570 1.376565
H 1.874580 -0.962341 1.425581
H 2.524797 0.595037 2.070223
H 3.500025 -0.913252 2.194998


