%chk=000159184.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159184

1 1
 S    2.711400      -2.181500     -0.4204000    
 O   -2.750400     -0.1031000      0.5270000    
 O   -1.265500     -0.3635000      -1.219900    
 N   0.7604000     -0.9210000      0.5258000    
 C    1.710100      4.6599999E-02  0.2869000    
 C  -0.5438000     -0.6432000       1.079200    
 C    2.882800     -0.4716000     -0.2485000    
 C    1.123100      -2.145200      0.2111000    
 C    1.575700       1.420600      0.5324000    
 C   -1.528000     -0.3601000     -2.5100000E-02
 C   -3.798300      0.1849000     -0.4043000    
 C    3.967200      0.3604000     -0.5598000    
 C   -5.083200      0.4459000      0.3667000    
 C    2.654900       2.254200      0.2234000    
 C    3.830900       1.731300     -0.3139000    
 C   -6.247300      0.7453000     -0.5606000    
 H  -0.8922000      -1.519900       1.639000    
 H  -0.5043000      0.1997000       1.774400    
 H   0.4966000      -3.018200      0.3337000    
 H   0.6713000       1.858500      0.9412000    
 H   -3.929100     -0.6713000      -1.076300    
 H   -3.526000       1.068500     -0.9935000    
 H   -5.319700     -0.4231000      0.9922000    
 H   -4.933000       1.283000       1.058900    
 H    4.885600     -3.8500000E-02 -0.9782000    
 H    2.574700       3.323200      0.4024000    
 H    4.656600       2.399200     -0.5467000    
 H   -6.046500       1.633500      -1.168100    
 H   -6.438600     -9.6000001E-02  -1.234400    
 H   -7.157000      0.9292000      1.9600000E-02


%chk=000159184-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000159184

1 1
S 2.610927 -2.042165 -0.976808
O -2.766830 0.032084 0.407348
O -1.611272 -1.430291 -1.006959
N 0.775504 -0.774353 0.391021
C 1.826028 0.187901 0.286235
C -0.538208 -0.501750 1.019362
C 2.935064 -0.330715 -0.439583
C 1.036070 -1.950717 -0.212819
C 1.857372 1.503268 0.802500
C -1.687501 -0.688260 -0.001591
C -4.047389 -0.098547 -0.405760
C 4.091590 0.433777 -0.675080
C -5.119432 0.716441 0.309732
C 3.013331 2.271183 0.567360
C 4.116622 1.747265 -0.160488
C -6.462344 0.631452 -0.453544
H -0.700077 -1.199994 1.859900
H -0.556630 0.518866 1.422987
H 0.327148 -2.773978 -0.243632
H 1.023871 1.927312 1.369067
H -4.291512 -1.174311 -0.464679
H -3.825560 0.278533 -1.419855
H -5.245063 0.336196 1.340084
H -4.793069 1.769834 0.385315
H 4.941771 0.033209 -1.233775
H 3.062357 3.292603 0.955510
H 5.000350 2.370596 -0.324189
H -6.374065 1.032049 -1.479876
H -6.826069 -0.409989 -0.522861
H -7.234583 1.220301 0.069276


