%chk=000128781.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128781

0 1
 S   -6.463000     -0.3132000     -9.9299997E-02
 F  -0.9737000       2.913000      0.3523000    
 O    4.037300       2.446800      0.2420000    
 O   -6.776300      0.4890000       1.285000    
 O   -6.802200      -1.707400      0.1135000    
 O   -7.064200      0.4318000      -1.188800    
 O    6.342800       1.284800      0.6964000    
 O    6.711500     -0.4779000     -0.7133000    
 N    2.601100      -1.330800     -0.2957000    
 N   -1.989900      0.3589000     -7.4999998E-03
 N   -4.760400     -0.1973000     -0.2496000    
 C    2.161500      -2.728600     -0.4964000    
 C    2.659000      -3.821300      0.3905000    
 C    1.225900      -3.382300      0.4658000    
 C    1.665800     -0.2693000     -0.1323000    
 C    3.954900      -1.057200     -0.2677000    
 C    2.135400       1.048800      5.5700000E-02
 C   -2.783100       1.038400      -1.041800    
 C   -2.514900     -0.9311000      0.4548000    
 C  -0.6102000      0.5929000      1.3200000E-02
 C   0.2766000     -0.4749000     -0.1499000    
 C   -4.240500       1.153600     -0.6044000    
 C   -3.977700     -0.7938000      0.8694000    
 C    4.504000      0.1517000     -9.6000001E-02
 C    3.597900       1.314900      8.1799999E-02
 C  -0.1270000       1.885300      0.1967000    
 C    1.245700       2.117900      0.2188000    
 C    5.963800      0.2574000     -9.3000002E-02
 H    2.034300      -2.965500      -1.548000    
 H    3.298200      -3.573900       1.229100    
 H    2.868600      -4.783100     -6.1400000E-02
 H   0.4734000      -4.050900      6.5600000E-02
 H   0.9294000      -2.869200       1.372600    
 H    4.571200      -1.940100     -0.4075000    
 H   -2.716800      0.4608000      -1.972900    
 H   -2.409400       2.043800      -1.262600    
 H   -1.950000      -1.297400       1.320900    
 H   -2.430700      -1.673700     -0.3488000    
 H  -0.1237000      -1.461300     -0.3530000    
 H   -4.328200       1.821400      0.2606000    
 H   -4.815900       1.579600      -1.432100    
 H   -4.367000      -1.786400       1.117500    
 H   -4.063200     -0.1562000       1.757500    
 H    1.602700       3.133700      0.3633000    
 H   -6.521900       1.441400       1.290000    
 H    7.318000       1.388000      0.7242000    


%chk=000128781-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128781

0 1
S -6.582068 -0.228601 -0.127588
F -0.929095 3.014902 0.159239
O 4.097522 2.562460 0.275431
O -6.732883 0.575439 1.569265
O -6.942253 -1.791813 0.010645
O -7.318417 0.709156 -1.208803
O 6.627386 1.399370 0.088810
O 6.729435 -0.910401 0.028924
N 2.616505 -1.343389 -0.125335
N -2.013216 0.395380 -0.176542
N -4.784096 -0.065179 -0.337784
C 2.130340 -2.710963 -0.314118
C 2.815768 -3.867214 0.414380
C 1.403374 -3.434556 0.829696
C 1.701508 -0.255094 -0.077010
C 3.967878 -1.097634 -0.094414
C 2.227931 1.064111 0.049728
C -2.874639 1.244149 -1.041131
C -2.554572 -0.960284 0.038535
C -0.621064 0.601157 -0.131101
C 0.304557 -0.474578 -0.181821
C -4.303380 1.335347 -0.467037
C -3.987016 -0.877293 0.614171
C 4.546817 0.163178 0.032837
C 3.691635 1.364577 0.134100
C -0.053824 1.908376 0.029209
C 1.309826 2.143730 0.103421
C 6.031264 0.144571 0.052153
H 1.772816 -2.904464 -1.332607
H 3.628951 -3.635801 1.107843
H 2.942684 -4.802007 -0.137034
H 0.556001 -4.076684 0.572861
H 1.308757 -2.900356 1.779379
H 4.624584 -1.967813 -0.177766
H -2.928023 0.808998 -2.062166
H -2.454479 2.256986 -1.107739
H -1.927009 -1.491601 0.774745
H -2.580116 -1.550405 -0.904428
H -0.064590 -1.489596 -0.331665
H -4.294709 1.855787 0.511015
H -4.956787 1.875982 -1.171668
H -4.423811 -1.887926 0.679593
H -3.963241 -0.414845 1.621394
H 1.709293 3.154861 0.232197
H -7.702118 0.605198 1.815017
H 7.615676 1.265882 0.098367


