%chk=000077347.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077347

0 1
 S   0.5693000      -2.278900      9.2299998E-02
 O    1.331000      -3.144100      0.9853000    
 O   0.2682000      -2.750000      -1.254000    
 O   -2.905900       2.525900       1.357100    
 N  -0.8936000      -1.841600      0.8904000    
 C    1.416600     -0.7569000     -2.4499999E-02
 C   -1.662300     -0.7544000      0.3469000    
 C    2.276300     -0.3576000      0.9989000    
 C    1.234000      5.9900001E-02  -1.140500    
 C    2.770700       1.675200     -0.2095000    
 C    2.953300      0.8586000      0.9064000    
 C    1.911100       1.275900      -1.232900    
 C   -1.910700      0.3689000       1.126700    
 C   -2.149600     -0.8393000     -0.9519000    
 C    3.494900       2.975200     -0.3089000    
 C   -2.657200       1.422900      0.5999000    
 C   -2.896100      0.2145000      -1.478700    
 C   -3.149800       1.345700     -0.7029000    
 H  -0.8760000      -1.885300       1.917800    
 H    2.428400     -0.9737000       1.880500    
 H   0.5786000     -0.2324000      -1.955500    
 H    3.620400       1.158700       1.710100    
 H    1.763500       1.901900      -2.109000    
 H   -1.523900      0.4267000       2.141200    
 H   -1.992900      -1.719900      -1.566100    
 H    2.910500       3.710800     -0.8722000    
 H    3.677200       3.403100      0.6828000    
 H    4.456700       2.832000     -0.8112000    
 H   -3.285600      0.1518000      -2.490600    
 H   -3.733300       2.162800      -1.118500    
 H   -2.490500       2.410200       2.229000    


%chk=000077347-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000077347

0 1
S 0.609804 -2.255773 0.054665
O 1.352953 -3.225351 1.127281
O 0.247234 -2.707992 -1.458907
O -3.304733 2.535139 1.294329
N -1.093290 -1.874460 0.915909
C 1.590202 -0.642162 -0.051019
C -1.865256 -0.812324 0.373764
C 2.492800 -0.353414 0.985992
C 1.386150 0.199166 -1.157562
C 3.055127 1.741133 -0.192327
C 3.226407 0.850020 0.901272
C 2.128239 1.399335 -1.213096
C -2.128514 0.366627 1.128778
C -2.416040 -0.961048 -0.929341
C 3.875024 3.014307 -0.288959
C -2.975964 1.361922 0.592673
C -3.224417 0.067947 -1.456256
C -3.520377 1.226942 -0.706052
H -0.840443 -1.776198 1.915524
H 2.636354 -1.060498 1.809832
H 0.688380 -0.082481 -1.952098
H 3.945706 1.096522 1.690678
H 1.987325 2.075343 -2.064077
H -1.680965 0.490833 2.125034
H -2.215605 -1.877617 -1.490151
H 3.320756 3.816506 -0.806191
H 4.169398 3.386182 0.707539
H 4.805690 2.836925 -0.861940
H -3.652073 -0.044210 -2.458225
H -4.165760 2.018814 -1.096067
H -2.900816 2.536466 2.197399


