%chk=000170019.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170019

0 1
 S   -4.287000      2.4700001E-02 -0.1231000    
 O    2.069600      -2.226300     -4.5499999E-02
 O   -4.784100      0.6982000       1.281400    
 O   -4.703700      0.9194000      -1.193400    
 O   -4.694800      -1.371800     -0.1233000    
 N    1.637800      9.6900001E-02  0.1225000    
 N    2.374300       1.253300      0.2436000    
 C    3.848100     -0.5671000      0.1488000    
 C    3.623100      0.9114000      0.2682000    
 C    2.424500      -1.064100      6.2100001E-02
 C   0.2534000      8.0399998E-02  6.5800004E-02
 C    4.635700     -0.9374000      -1.091900    
 C    4.743700       1.883900      0.4046000    
 C  -0.4608000      -1.018600      0.5566000    
 C  -0.4445000       1.162000     -0.4835000    
 C   -2.543000      4.6000000E-02 -5.0200000E-02
 C   -1.854400      -1.035700      0.4987000    
 C   -1.838100       1.144900     -0.5413000    
 H    4.315100     -0.9449000       1.062900    
 H    4.681200      -2.024500      -1.216200    
 H    4.179700     -0.5192000      -1.996600    
 H    5.661200     -0.5586000      -1.032500    
 H    5.411900       1.559800       1.206500    
 H    4.356400       2.878700      0.6398000    
 H    5.302800       1.931300     -0.5332000    
 H   2.5599999E-02  -1.861300       1.037500    
 H   8.2699999E-02   2.027400     -0.8775000    
 H   -2.383100      -1.893900      0.9037000    
 H   -2.353500       2.000700     -0.9679000    
 H   -4.506300       1.633700       1.423200    


%chk=000170019-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170019

0 1
S -4.370289 0.261110 -0.167803
O 2.199456 -2.297184 0.455117
O -4.659938 0.530974 1.652140
O -4.835433 1.595986 -0.956877
O -4.978602 -1.184106 -0.569471
N 1.675430 0.016124 0.114239
N 2.403139 1.251152 -0.049546
C 3.959743 -0.510886 0.274016
C 3.689902 0.963700 0.037226
C 2.535385 -1.094370 0.305960
C 0.257944 0.059130 0.054125
C 4.851794 -1.208093 -0.784219
C 4.732957 2.030350 -0.094515
C -0.505048 -1.134773 0.192489
C -0.385031 1.310974 -0.152155
C -2.512892 0.181358 -0.066391
C -1.910176 -1.070425 0.134964
C -1.788432 1.376325 -0.209993
H 4.417809 -0.660129 1.272685
H 4.856140 -2.294847 -0.594722
H 4.467207 -1.036286 -1.804354
H 5.889418 -0.836049 -0.731013
H 5.370088 2.075423 0.808855
H 4.260802 3.014147 -0.245186
H 5.402086 1.824467 -0.951130
H 0.001442 -2.089613 0.344758
H 0.222798 2.210661 -0.260334
H -2.518757 -1.974907 0.228762
H -2.305283 2.326104 -0.377332
H -5.650158 0.592981 1.789505


