%chk=000032519.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000032519

0 1
 S   -2.268400      -2.489500      0.4708000    
 O  -0.4778000     -0.1093000     -0.4803000    
 O    2.141300      0.1245000      0.2306000    
 O    4.214300     -0.5954000     -0.4655000    
 N    3.887300       1.562200      0.2590000    
 C   -1.866600      0.1614000     -0.2401000    
 C   -2.118800      0.8049000       1.132200    
 C   -2.239400       1.327100      -1.172200    
 C   -1.548500       2.214400      0.9948000    
 C   -1.673100       2.570300     -0.4855000    
 C   -2.733900      -1.061200     -0.5458000    
 C   0.1135000      -1.135200      0.3209000    
 C  -0.5073000      -2.501200      4.1200001E-02
 C    1.599300      -1.157200     -2.9400000E-02
 C    3.478200      0.2841000     -3.0700000E-02
 H   -1.656200      0.2846000       1.974000    
 H   -3.195900      0.8687000       1.333100    
 H   -3.328400       1.427500      -1.259700    
 H   -1.822100       1.216000      -2.178700    
 H  -0.4933000       2.228800       1.292100    
 H   -2.080300       2.926500       1.633300    
 H   -2.323900       3.436900     -0.6415000    
 H  -0.6877000       2.822500     -0.8935000    
 H   -3.794500     -0.8480000     -0.3758000    
 H   -2.620000      -1.357900      -1.594500    
 H   2.7600000E-02 -0.8659000       1.379400    
 H  -0.4220000      -2.763900      -1.018800    
 H  -1.2300000E-02  -3.282000      0.6271000    
 H    1.731200      -1.384000      -1.094600    
 H    2.121300      -1.911200      0.5712000    
 H    3.239400       2.255700      0.6172000    
 H    4.849800       1.852500      0.1235000    


%chk=000032519-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000032519

0 1
S -2.301939 -2.472211 0.677716
O -0.479852 -0.144487 -0.579109
O 2.280007 0.017554 0.435342
O 4.249394 -0.537947 -0.738991
N 4.089341 1.381522 0.608518
C -1.906603 0.207471 -0.267614
C -2.014674 0.911540 1.111210
C -2.232106 1.330509 -1.301670
C -1.485715 2.335399 0.827977
C -2.138912 2.688713 -0.536552
C -2.791408 -1.034256 -0.457300
C 0.167478 -1.150914 0.283923
C -0.492929 -2.533192 0.130016
C 1.631068 -1.176979 -0.153774
C 3.612466 0.225737 0.028425
H -1.478591 0.383275 1.916331
H -3.083025 0.951261 1.404871
H -3.234068 1.180537 -1.744416
H -1.492485 1.259539 -2.117078
H -0.385439 2.301847 0.726112
H -1.739134 3.055852 1.625846
H -3.150994 3.104172 -0.369383
H -1.562025 3.444179 -1.097930
H -3.844451 -0.815407 -0.212400
H -2.727217 -1.393951 -1.499345
H 0.116824 -0.842566 1.348205
H -0.452364 -2.878925 -0.918054
H -0.014468 -3.281607 0.784705
H 1.714262 -1.139122 -1.253830
H 2.147023 -2.082756 0.215668
H 3.488404 1.946845 1.202880
H 5.044932 1.665064 0.413502


