%chk=000171336.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000171336

0 1
 S   -2.120100       1.622600     -0.1676000    
 O   -4.108500      0.1903000      0.8258000    
 O   0.2446000      0.3438000     -0.2635000    
 O    1.703500      -1.435800     -0.1513000    
 N  -0.7072000     -0.6340000      5.7900000E-02
 N    2.424600      0.7093000     -0.6526000    
 C   -3.142200     -0.7954000      0.4468000    
 C   -1.863500     -7.2400004E-02  0.1244000    
 C   -3.641400      -1.602300     -0.7420000    
 C   -3.893500       1.400500      9.6600004E-02
 C    3.830300      0.4153000     -0.8083000    
 C    1.478200     -0.2437000     -0.3365000    
 C    4.569300      0.5519000      0.4873000    
 C    5.225900     -0.4502000       1.083000    
 H   -2.980200      -1.457900       1.303300    
 H   -2.929400      -2.388600      -1.012100    
 H   -4.607000      -2.064200     -0.5116000    
 H   -3.793300     -0.9702000      -1.623800    
 H   -4.412500       1.336400     -0.8648000    
 H   -4.308800       2.236200      0.6659000    
 H    4.233400       1.129000      -1.534000    
 H    3.938400     -0.5906000      -1.229200    
 H    2.116800       1.670000     -0.7698000    
 H    4.574700       1.531000      0.9596000    
 H    5.746500     -0.2855000       2.019900    
 H    5.254900      -1.444700      0.6517000    


%chk=000171336-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000171336

0 1
S -2.229814 1.768312 -0.073566
O -4.155865 0.147338 0.977016
O 0.302398 0.284448 -0.295382
O 1.814763 -1.579862 -0.175883
N -0.775674 -0.660360 0.036601
N 2.493645 0.601521 -0.745503
C -3.192655 -0.819270 0.402036
C -1.909122 -0.019762 0.118119
C -3.729236 -1.511053 -0.864943
C -4.102855 1.385470 0.244553
C 3.939532 0.312808 -0.830570
C 1.593857 -0.373902 -0.380715
C 4.684974 0.621622 0.458490
C 5.344276 -0.307541 1.192222
H -3.012949 -1.553828 1.202395
H -2.999919 -2.267221 -1.203095
H -4.686085 -2.012213 -0.640398
H -3.883384 -0.793769 -1.690317
H -4.591243 1.327639 -0.743910
H -4.529060 2.177038 0.874938
H 4.354607 0.907714 -1.666862
H 4.050726 -0.754963 -1.083459
H 2.149273 1.555659 -0.857779
H 4.667553 1.670527 0.790981
H 5.872230 -0.042622 2.115324
H 5.363529 -1.362928 0.894805


