%chk=000171276.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000171276

0 1
 S    2.006400     -0.5975000       1.590900    
 S    4.004700      -1.649600     -0.3285000    
 O   -4.163000       1.091300      0.1491000    
 O   -4.108500     -0.6314000      -1.332800    
 N    2.864200      0.8505000     -0.5555000    
 N   -1.760800      0.7140000      0.9536000    
 C   0.3480000     -0.4435000      0.9397000    
 C    2.997200     -0.3719000      0.1323000    
 C    3.043100      0.9534000      -2.005300    
 C    2.498500       2.117400      8.4299996E-02
 C  -0.1077000      -1.311200     -3.6499999E-02
 C   -1.402000      -1.166200     -0.5234000    
 C   -2.181400     -0.1470000     -1.9999999E-04
 C  -0.4971000      0.5422000       1.402400    
 C   -3.541600      4.9500000E-02 -0.4703000    
 H    3.967600       1.503100      -2.204400    
 H    2.194100       1.498400      -2.429800    
 H    3.091600     -2.7300000E-02  -2.482900    
 H    3.173200       2.901200     -0.2739000    
 H    2.588100       2.063100       1.171100    
 H    1.471000       2.368900     -0.1925000    
 H   0.5170000      -2.107900     -0.4301000    
 H   -1.771400      -1.841300      -1.288000    
 H  -0.1922000       1.250800       2.166400    
 H   -5.080500       1.213900     -0.1758000    


%chk=000171276-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000171276

0 1
S 2.017426 -0.346957 1.694583
S 4.117276 -1.664019 -0.135284
O -4.596218 0.691949 0.625713
O -4.149044 -0.399191 -1.372969
N 2.926718 0.729290 -0.703014
N -1.985468 0.500378 1.408544
C 0.316830 -0.218927 1.010755
C 3.067473 -0.355028 0.125763
C 3.619708 0.718556 -2.013157
C 2.237008 1.992783 -0.356038
C -0.051706 -0.791304 -0.230957
C -1.393502 -0.693395 -0.645948
C -2.328283 -0.038975 0.198622
C -0.687117 0.410148 1.796498
C -3.746866 0.054419 -0.270681
H 4.688769 0.975226 -1.892560
H 3.132704 1.450598 -2.678005
H 3.566709 -0.289550 -2.455170
H 2.856054 2.840966 -0.696519
H 2.102859 2.067233 0.732872
H 1.246382 2.054700 -0.843754
H 0.689963 -1.310328 -0.846289
H -1.737565 -1.117486 -1.593506
H -0.439173 0.858168 2.765580
H -5.512436 0.703645 0.234822


