%chk=000171804.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000171804

0 1
 S    4.651100       1.273000      0.7423000    
 O    1.741200      -2.699200     -0.6889000    
 O    4.020300      -1.645100      0.4284000    
 O   -3.569100       3.106500      -1.022900    
 O    5.847800      0.9513000     -0.3228000    
 O   -5.282600       2.219300      0.9467000    
 O    4.479400       2.717300      0.7673000    
 O    4.921400      0.5344000       1.964800    
 N   -1.408300      -2.530200     -9.4099998E-02
 C  -0.3450000      -1.054300      -1.708900    
 C   -1.432500      -1.268200     -0.6872000    
 C   -2.379000     -0.3537000     -0.3252000    
 C   0.9052000     -0.4967000      -1.095900    
 C   -3.352700     -0.7778000      0.7213000    
 C    1.895700      -1.346200     -0.6125000    
 C    1.059500      0.8840000      -1.017500    
 C    3.211500      0.5735000      3.5999998E-02
 C   -2.492500      0.9790000     -0.8992000    
 C    3.051600     -0.8099000     -4.5200001E-02
 C   -3.277800      -2.116300       1.308400    
 C    2.215500       1.420400     -0.4503000    
 C   -2.304600      -2.925000      0.8662000    
 C   -4.304500      7.8900002E-02   1.129600    
 C   -3.438600       1.838700     -0.4978000    
 C   -4.412800       1.446300      0.5573000    
 H  -0.1282000      -1.992400      -2.238300    
 H  -0.6864000     -0.3937000      -2.515900    
 H  -0.6913000      -3.187100     -0.3774000    
 H   0.3138000       1.566200      -1.408600    
 H   -1.824500       1.285500      -1.693400    
 H   -3.981900      -2.433600       2.068200    
 H    2.312500       2.501200     -0.4091000    
 H   -2.158700      -3.932800       1.232800    
 H   -5.032500     -0.1859000       1.890400    
 H    2.528100      -3.120800     -0.3022000    
 H    4.804300      -1.150400      0.7116000    
 H   -4.320300       3.534400     -0.5768000    
 H    5.733500       1.346100      -1.219300    


%chk=000171804-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000171804

0 1
S 5.061166 0.977932 0.659551
O 1.533000 -2.656020 -0.606010
O 3.901479 -1.969543 0.377600
O -4.333753 2.835300 -1.315826
O 5.915596 1.256134 -0.951540
O -5.944870 2.043422 0.570277
O 5.047303 2.363340 1.477525
O 5.708504 -0.364037 1.359653
N -1.211499 -2.258822 0.109838
C -0.392775 -0.793276 -1.674913
C -1.440816 -1.096692 -0.611493
C -2.566921 -0.297065 -0.327041
C 0.938336 -0.334526 -1.084062
C -3.493431 -0.730430 0.742022
C 1.851975 -1.286133 -0.589680
C 1.289609 1.040503 -1.005467
C 3.418713 0.465729 -0.014204
C -2.856387 0.927091 -1.033909
C 3.116113 -0.915288 -0.056798
C -3.179758 -1.954798 1.438910
C 2.525865 1.454316 -0.477550
C -2.055365 -2.691001 1.122110
C -4.630470 0.031303 1.063200
C -3.980143 1.657161 -0.697385
C -4.932434 1.247758 0.373863
H -0.221908 -1.707594 -2.275031
H -0.773198 -0.024975 -2.362330
H -0.341065 -2.772663 -0.097007
H 0.582127 1.791953 -1.368494
H -2.209932 1.295981 -1.834766
H -3.841768 -2.305538 2.235246
H 2.791584 2.513556 -0.418207
H -1.778035 -3.617931 1.626796
H -5.309432 -0.298215 1.856623
H 2.322821 -3.167454 -0.276944
H 4.753904 -1.615813 0.825847
H -5.194421 3.102066 -0.836505
H 6.798889 1.690971 -0.762001


