%chk=000049217.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049217

0 1
 S   -1.447000       1.595200     -0.7744000    
 O   0.6515000      0.1810000      -2.419400    
 O    2.464900      0.6820000       1.882900    
 O    1.363700      -3.469600      0.2679000    
 N   0.9166000      -1.630900      -1.037700    
 N    1.821900      -1.380700       1.111700    
 C    1.019100      0.6181000     -6.2799998E-02
 C  -0.3932000      0.8439000      0.5060000    
 C    1.622200       1.969200     -0.4744000    
 C   0.8680000     -0.2689000      -1.294600    
 C    1.857600      4.6000001E-03   1.053900    
 C  -0.3491000       1.736100       1.735400    
 C    2.968000       1.781300      -1.137500    
 C   -2.971300       1.719900      0.1872000    
 C   -3.479500      0.3649000      0.6793000    
 C    1.351900      -2.245200      0.1303000    
 C   -3.835900     -0.6055000     -0.4500000    
 C   -4.429500      -1.895400      9.6199997E-02
 H  -0.8084000     -0.1309000      0.7806000    
 H    1.777100       2.626600      0.3889000    
 H    1.004900       2.529000      -1.183600    
 H  -8.1400000E-02   2.774300       1.513900    
 H   -1.316600       1.759500       2.246800    
 H   0.3264000       1.371000       2.511800    
 H    3.677900       1.248100     -0.4979000    
 H    2.905000       1.250700      -2.091400    
 H    3.408700       2.761400      -1.353600    
 H   -3.726000       2.158600     -0.4762000    
 H   -2.864200       2.430700       1.010700    
 H   0.6838000      -2.247400      -1.811300    
 H    2.256600      -1.812600       1.922300    
 H   -2.794900     -0.1037000       1.392000    
 H   -4.394700      0.5585000       1.255600    
 H   -4.557200     -0.1383000      -1.130300    
 H   -2.948600     -0.8610000      -1.038700    
 H   -4.678300      -2.575300     -0.7246000    
 H   -5.345200      -1.697600      0.6624000    
 H   -3.719700      -2.404600      0.7560000    


%chk=000049217-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049217

0 1
S -1.632637 2.051924 -0.076742
O -0.059734 -0.223676 -1.939591
O 2.968732 0.849975 1.541750
O 0.664280 -3.184153 1.557108
N 0.166856 -1.609039 -0.102158
N 1.724528 -1.098057 1.595311
C 0.952631 0.758624 0.102284
C -0.226377 1.346529 1.017780
C 1.588268 1.849894 -0.797341
C 0.337028 -0.364731 -0.759861
C 1.988985 0.198387 1.101591
C 0.228639 2.424235 2.017816
C 2.745326 1.347110 -1.687359
C -3.127283 1.294962 0.829351
C -3.385669 -0.188189 0.509577
C 0.825931 -2.041757 1.060841
C -3.711371 -0.468577 -0.973706
C -3.997319 -1.961020 -1.244903
H -0.686922 0.500434 1.562214
H 1.962066 2.657763 -0.144885
H 0.786269 2.264975 -1.434500
H 0.584853 3.329096 1.499189
H -0.633706 2.720242 2.640397
H 1.033925 2.067797 2.685113
H 3.579470 0.953706 -1.079695
H 2.406683 0.565174 -2.388757
H 3.141981 2.183472 -2.290063
H -3.972469 1.927493 0.502803
H -2.973259 1.463536 1.910453
H -0.380688 -2.322192 -0.595640
H 2.315028 -1.434287 2.363202
H -2.510610 -0.797559 0.818497
H -4.232215 -0.527735 1.144393
H -4.591760 0.136386 -1.272803
H -2.866295 -0.122701 -1.598421
H -4.196800 -2.142304 -2.316388
H -4.874766 -2.314563 -0.671083
H -3.136501 -2.594175 -0.952375


