%chk=000049990.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049990

0 1
 S    5.817500      -1.775800     -0.9904000    
 O   -1.983100      -1.169400      -1.346700    
 O    4.598100      0.8695000      0.7098000    
 O   -4.057100     -0.8076000       1.554600    
 O   -6.058400      -1.119200      0.5320000    
 N    2.849900     -0.6299000      0.2230000    
 N   -3.033400      0.6467000     -0.3591000    
 C  -0.6058000      0.4917000     -0.4291000    
 C    1.743900      0.2039000      5.4200001E-02
 C   0.4995000     -0.3424000     -0.2604000    
 C  -0.4667000       1.872000     -0.2831000    
 C    1.882800       1.584300      0.2000000    
 C   -1.903200     -7.7100001E-02 -0.7570000    
 C   0.7775000       2.418300      3.1399999E-02
 C   -4.389100      0.2026000     -0.5907000    
 C    4.167600     -0.2680000      0.5378000    
 C    5.092400      -1.462300      0.6373000    
 C   -4.932200     -0.6374000      0.5363000    
 H   0.3967000      -1.420000     -0.3683000    
 H   -1.293100       2.559700     -0.4362000    
 H    2.811300       2.082000      0.4416000    
 H   0.8865000       3.493800      0.1380000    
 H    2.665900      -1.622900      9.7499996E-02
 H   -2.927200       1.492700      0.1905000    
 H   -4.422200     -0.3864000      -1.511900    
 H   -5.010200       1.097000     -0.6909000    
 H    5.883700      -1.242900       1.360400    
 H    4.552900      -2.349500      0.9813000    
 H    4.668400      -2.062300      -1.620100    
 H   -4.433900      -1.356800       2.274800    


%chk=000049990-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049990

0 1
S 6.083121 -1.118953 -1.838492
O -1.745928 -1.731307 -0.803093
O 4.756355 0.849839 0.804795
O -5.187400 1.369279 0.581317
O -6.672202 -0.232054 -0.223265
N 3.084692 -0.634017 0.069363
N -3.016201 0.034899 -0.028786
C -0.555214 0.196301 0.092676
C 1.899508 0.132960 0.257570
C 0.668823 -0.489615 -0.062373
C -0.546787 1.533182 0.570817
C 1.908743 1.469147 0.742294
C -1.800096 -0.569305 -0.280257
C 0.681644 2.150102 0.888890
C -4.256366 -0.656158 -0.374674
C 4.409839 -0.264891 0.320244
C 5.425733 -1.340165 -0.065789
C -5.500088 0.136870 -0.020438
H 0.622231 -1.518314 -0.442491
H -1.471509 2.109520 0.687044
H 2.858106 1.945576 0.991924
H 0.690154 3.182119 1.255577
H 2.933686 -1.579877 -0.290775
H -3.097367 0.948152 0.418808
H -4.317736 -1.639340 0.132594
H -4.292312 -0.889517 -1.456929
H 6.319209 -1.218376 0.563116
H 5.037899 -2.366959 0.045149
H 4.882147 -1.385074 -2.479999
H -6.023685 1.860276 0.801780


