%chk=000159058.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159058

0 1
 S   -2.346500     -1.4000000E-03 -6.3000001E-02
 O    2.046900       1.084600     -8.8999998E-03
 O   -2.564200      0.1870000       1.543000    
 O   -2.176500       1.313800     -0.6522000    
 O   -3.412800     -0.8653000     -0.5379000    
 N  -0.8735000     -0.8709000     -0.1913000    
 N   0.6643000      0.9776000     -9.6900001E-02
 C   0.4194000     -0.3359000     -0.1099000    
 C    1.597300      -1.099000     -3.3199999E-02
 C    2.591200     -0.1586000      2.8300000E-02
 C    4.054300     -0.2319000      0.1221000    
 H  -0.9395000      -1.896300     -0.1483000    
 H    1.710900      -2.173200     -2.3800001E-02
 H    4.406900      0.2617000       1.032900    
 H    4.397200      -1.271000      0.1455000    
 H    4.520300      0.2591000     -0.7378000    
 H   -1.839200      0.6610000       2.014100    


%chk=000159058-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000159058

0 1
S -2.685943 -0.000313 0.098734
O 1.863575 0.846334 0.905578
O -1.991392 1.236237 0.928091
O -3.301619 0.356521 -1.345369
O -3.414664 -1.136723 0.976155
N -0.919986 -0.970932 -0.439614
N 0.470484 0.602400 0.663707
C 0.293538 -0.533971 -0.083696
C 1.628112 -1.061658 -0.346523
C 2.531975 -0.215511 0.256805
C 4.019402 -0.187896 0.367086
H -1.025601 -1.822517 -0.997319
H 1.858049 -1.958130 -0.914577
H 4.338478 -0.253090 1.422461
H 4.454056 -1.036372 -0.183187
H 4.429041 0.749014 -0.049940
H -0.291005 1.227908 1.024307


