%chk=000124650.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124650

0 1
 S   -1.778200     -0.7886000      0.6834000    
 O   0.5281000      0.5027000      0.6497000    
 O   -5.368100     -8.1000002E-03 -0.7210000    
 O   -4.629500      -1.822700      0.4315000    
 N    3.404400      0.2286000      0.2332000    
 N    4.579400      -1.006400      -1.162400    
 C    2.769700       1.410600      0.8123000    
 C    1.355200       1.627400      0.2914000    
 C    3.350500      -1.026500      0.7420000    
 C  -0.7501000      0.5215000      0.2844000    
 C    4.144700      0.2067000     -0.9028000    
 C   -1.414100       1.505400     -0.4147000    
 C    4.087400      -1.780000     -0.1411000    
 C   -3.116600     -4.1000001E-02 -7.9499997E-02
 C   -2.785100       1.179400     -0.6254000    
 C   -4.377600     -0.7090000     -8.0799997E-02
 H    2.764400       1.261500       1.898300    
 H    3.407900       2.271200      0.5844000    
 H   0.9474000       2.539400      0.7433000    
 H    1.373000       1.733600     -0.8003000    
 H    2.818200      -1.278600       1.648600    
 H    4.337300       1.086400      -1.501800    
 H  -0.9639000       2.423300     -0.7695000    
 H    4.288700      -2.840300     -9.3300000E-02
 H   -3.481800       1.818500      -1.153300    
 H   -6.221500     -0.4918000     -0.7049000    


%chk=000124650-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000124650

0 1
S -1.883698 -0.690070 1.037381
O 0.494977 0.571767 0.776212
O -5.505266 -0.025481 -0.691938
O -4.857014 -1.644854 0.861010
N 3.499654 0.267775 0.250554
N 5.078084 -0.876212 -0.915752
C 2.768363 1.402747 0.825474
C 1.381411 1.619930 0.214414
C 3.182079 -1.094638 0.376636
C -0.811384 0.577871 0.338835
C 4.652325 0.343504 -0.538425
C -1.466610 1.414706 -0.567309
C 4.162070 -1.778592 -0.346098
C -3.249411 -0.025818 0.043055
C -2.845399 1.062034 -0.725987
C -4.557836 -0.657857 0.140118
H 2.658373 1.271463 1.917365
H 3.370976 2.313161 0.655568
H 0.983158 2.613026 0.503025
H 1.406991 1.528630 -0.888242
H 2.316477 -1.432544 0.938900
H 5.129985 1.288250 -0.791323
H -0.990556 2.240073 -1.099233
H 4.265570 -2.851213 -0.491585
H -3.540273 1.584454 -1.386580
H -6.373246 -0.498912 -0.584372


