%chk=000104529.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104529

0 1
 S    1.428200      -1.411400      -1.410600    
 F   -3.874900       2.562100     -0.2739000    
 F   -4.875500      0.6394000     -0.1938000    
 F   -3.883300       1.420300       1.576700    
 F    3.597400       1.033100       2.536500    
 O  -0.1685000      -2.693900       1.577900    
 O   -1.154100      -3.700900     -0.2057000    
 C  -0.1099000     -0.6476000     -0.9077000    
 C   -2.483900      0.6185000     -0.1703000    
 C   -1.034700      -1.313600     -0.1033000    
 C   -2.221700     -0.6804000      0.2654000    
 C  -0.3723000      0.6513000      -1.343400    
 C   -1.559200       1.284400     -0.9746000    
 C   -3.752700       1.295900      0.2238000    
 C    2.617500     -0.2793000     -0.7096000    
 C  -0.8119000      -2.671600      0.3803000    
 C    2.642000     -6.1799999E-02  0.6665000    
 C    3.519300      0.3827000      -1.540300    
 C    3.572400      0.8215000       1.214100    
 C    4.449600       1.265900     -0.9926000    
 C    4.476200       1.485300      0.3845000    
 H   -2.945600      -1.196300      0.8926000    
 H   0.3271000       1.190700      -1.977800    
 H   -1.746400       2.295600      -1.325100    
 H    1.952300     -0.5718000       1.333800    
 H    3.512900      0.2244000      -2.615800    
 H    5.153200       1.783100      -1.638400    
 H    5.200200       2.173200      0.8112000    
 H  -2.0900000E-02  -3.609900       1.896500    


%chk=000104529-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104529

0 1
S 1.368275 -1.205631 -1.592223
F -4.598951 1.956365 -0.885088
F -4.972098 0.245352 0.563618
F -3.917736 2.125011 1.265932
F 3.688897 0.853747 2.644489
O 0.476362 -2.645285 1.054159
O -1.603073 -3.526500 0.511143
C -0.176261 -0.463008 -0.896328
C -2.694691 0.618066 -0.200928
C -1.079631 -1.221190 -0.104145
C -2.354651 -0.684032 0.209049
C -0.532765 0.844966 -1.303936
C -1.774414 1.398044 -0.943301
C -4.022369 1.213450 0.176341
C 2.658001 -0.186648 -0.745145
C -0.789195 -2.577862 0.464554
C 2.650033 -0.048831 0.661916
C 3.686638 0.383974 -1.530835
C 3.686360 0.698705 1.244160
C 4.723099 1.109552 -0.897202
C 4.730507 1.283775 0.504894
H -3.062584 -1.294915 0.777046
H 0.164217 1.417343 -1.922744
H -2.041584 2.409013 -1.265642
H 1.883621 -0.524423 1.279702
H 3.673481 0.269683 -2.618935
H 5.521949 1.551816 -1.501061
H 5.514597 1.850490 1.014482
H 0.626764 -3.562127 1.412930


