%chk=000157856.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157856

0 1
 S   -2.255500      -1.007000      -1.994700    
 F   -3.090000       2.192400       2.027700    
 F   -1.265200       1.135400       1.399600    
 F   -3.128400       3.534500     -0.3777000    
 F   -1.315900       2.487800     -0.9976000    
 F   -1.278000       3.795300      0.7490000    
 O   -3.188600      0.8015000      0.2274000    
 O   -3.255300     -6.1600000E-02  -2.468900    
 O   -1.975300      -2.209100      -2.766700    
 O   0.4451000      -1.909600     -0.8023000    
 O    4.618800      -2.504100      0.9834000    
 O    5.542200       1.962600      0.2112000    
 N  -0.7866000     -0.1673000      -1.723500    
 N    1.385400      0.2209000     -0.9746000    
 N    3.467200       1.134400     -0.3909000    
 N    2.988400      -1.182500      9.7000003E-03
 N    5.125800     -0.2767000      0.6169000    
 C   -2.701400      -1.471700     -0.3683000    
 C   -3.118000     -0.5177000      0.5602000    
 C   -2.635600      -2.816700     -4.4000000E-03
 C   -3.469000     -0.9088000       1.852300    
 C   -2.986600      -3.207800       1.287700    
 C   -3.403200      -2.253900       2.216000    
 C   -2.395600       1.737100      0.9572000    
 C   0.3895000     -0.7289000      -1.123800    
 C   -2.027300       2.897600      7.4000001E-02
 C    2.677000      4.9300000E-02 -0.4249000    
 C    4.228100      -1.270500      0.5178000    
 C    4.676100      0.8964000      0.1431000    
 C    3.667600      -3.553600      0.8766000    
 C    5.064200       3.202200     -0.2914000    
 H   -2.312600      -3.582000     -0.7039000    
 H   -3.803600     -0.1796000       2.584800    
 H  -0.7916000      0.8437000      -1.906300    
 H   -2.935200      -4.254900       1.571300    
 H   -3.678100      -2.558700       3.221500    
 H    1.182700       1.164600      -1.292700    
 H    4.120700      -4.462100       1.284600    
 H    3.410300      -3.747300     -0.1702000    
 H    2.769700      -3.333000       1.463900    
 H    5.858700       3.944400     -0.1688000    
 H    4.192200       3.547000      0.2745000    
 H    4.832700       3.131400      -1.359600    


%chk=000157856-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157856

0 1
S -2.266076 -0.677162 -2.186560
F -3.013362 1.419030 2.699549
F -1.025797 0.925038 1.712010
F -3.509171 3.402817 0.654827
F -1.490466 2.927943 -0.274605
F -1.609251 3.678558 1.862310
O -2.996643 0.644134 0.480859
O -3.243956 0.550663 -2.575363
O -1.957766 -1.850343 -3.251339
O 0.360142 -1.703602 -0.893325
O 4.367369 -1.938447 1.820429
O 5.921498 1.766830 -0.421518
N -0.723186 0.199117 -1.709402
N 1.538354 0.347698 -1.210540
N 3.710553 1.073722 -0.856651
N 2.884010 -0.863363 0.351051
N 5.170243 -0.088438 0.709636
C -2.769597 -1.527296 -0.567109
C -3.065055 -0.787635 0.589639
C -2.851504 -2.925748 -0.594598
C -3.475594 -1.449682 1.762313
C -3.254963 -3.597367 0.580787
C -3.563148 -2.860456 1.746702
C -2.342826 1.400036 1.430930
C 0.402019 -0.498289 -1.230366
C -2.247292 2.873980 0.914841
C 2.747335 0.149480 -0.537352
C 4.125630 -0.932253 0.929651
C 4.892147 0.895888 -0.189201
C 3.255479 -2.889339 2.079333
C 5.685491 2.855102 -1.397835
H -2.582893 -3.459954 -1.511616
H -3.721497 -0.880062 2.661989
H -0.806086 1.218517 -1.797279
H -3.322557 -4.689065 0.584208
H -3.878750 -3.382204 2.655637
H 1.543729 1.183806 -1.801549
H 3.704369 -3.645645 2.738126
H 2.895009 -3.329415 1.135881
H 2.419489 -2.369293 2.575195
H 6.634509 3.408669 -1.412641
H 4.853996 3.498999 -1.066164
H 5.451866 2.438433 -2.391689


