%chk=000078441.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078441

0 1
 S    1.758000      0.8014000     -5.4000001E-03
 O    1.272200       1.508900      -1.175200    
 O    2.848800       1.377800      0.7631000    
 N    2.224600     -0.7925000     -0.4674000    
 N   0.4709000      0.5107000       1.099900    
 C  -0.8495000      0.2333000      0.6000000    
 C    2.692800      -1.712500      0.5977000    
 C    1.460500      -1.492700      -1.527000    
 C   -1.393200      -1.034700      0.7637000    
 C   -1.565800       1.237200     -4.0100001E-02
 C   -2.673400      -1.303400      0.2794000    
 C   -2.846000      0.9685000     -0.5242000    
 C   -3.399800     -0.3019000     -0.3644000    
 H   0.7199000     -5.9000002E-03   1.953600    
 H    3.343100      -1.188300       1.303200    
 H    3.280100      -2.522400      0.1538000    
 H    1.844600      -2.143300       1.136800    
 H    1.121500     -0.7941000      -2.296000    
 H   0.5989000      -2.016900      -1.108200    
 H    2.110900      -2.222700      -2.019600    
 H  -0.8354000      -1.821300       1.264400    
 H   -1.153300       2.235200     -0.1587000    
 H   -3.104600      -2.292400      0.4038000    
 H   -3.413200       1.749200      -1.022600    
 H   -4.397000     -0.5107000     -0.7407000    


%chk=000078441-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000078441

0 1
S 1.890133 0.775382 0.253863
O 1.574250 1.792085 -0.962028
O 3.022208 1.045202 1.376215
N 2.420519 -0.836151 -0.602469
N 0.251156 0.735904 1.342184
C -0.954423 0.285082 0.747750
C 2.697873 -1.913582 0.368377
C 1.577859 -1.186234 -1.766157
C -1.658107 -0.843435 1.263232
C -1.504623 1.020296 -0.342562
C -2.908187 -1.205348 0.720487
C -2.735736 0.623547 -0.899793
C -3.447022 -0.482607 -0.370817
H 0.537585 0.228947 2.199541
H 3.231131 -1.489630 1.236037
H 3.377669 -2.633054 -0.124901
H 1.791644 -2.464385 0.704476
H 1.316819 -0.263282 -2.309300
H 0.653950 -1.742770 -1.502927
H 2.194896 -1.814083 -2.436584
H -1.233373 -1.414383 2.099276
H -0.959615 1.888756 -0.724248
H -3.455765 -2.056998 1.139099
H -3.153388 1.190433 -1.738996
H -4.411852 -0.773191 -0.799854


