%chk=000032259.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000032259

0 1
 S   -3.413700      0.7740000      0.1555000    
 F   -3.744300       2.581600      -1.682400    
 F   -2.889600      0.7017000      -2.375200    
 F   -1.662000       2.098000      -1.237000    
 O   -1.128500      -2.515900      1.2400000E-02
 O   -4.677000      0.1207000     -0.1326000    
 O   -3.318800       1.748100       1.225700    
 O   -3.196400      -2.147000     -0.8922000    
 O    2.423200       2.718400      0.2857000    
 N   -2.181700     -0.4114000      0.3044000    
 C  -0.9989000     -4.6500001E-02   1.042500    
 C   7.3799998E-02  0.5293000      0.3753000    
 C    1.218400      0.8820000       1.090200    
 C  -0.9487000     -0.2766000       2.410600    
 C    1.279500      0.6554000       2.465200    
 C   -2.907200       1.574300      -1.337400    
 C   0.1961000      7.6099999E-02   3.125400    
 C   -2.232500      -1.744100     -0.2490000    
 C    2.348500       1.486100      0.4025000    
 C    3.455300      0.6733000     -0.1865000    
 C    3.397900     -0.6961000     -7.2200000E-02
 C    4.486300       1.327200     -0.8197000    
 C   -1.153200      -3.847400     -0.5136000    
 C    4.430900      -1.455100     -0.6223000    
 C    5.519200      0.5682000      -1.369800    
 C    5.491400     -0.8230000      -1.271100    
 C   0.1323000      -4.551300     -0.1343000    
 H   4.5499999E-02  0.6753000     -0.7006000    
 H   -1.788200     -0.7277000       2.932300    
 H    2.166300      0.9264000       3.032400    
 H   0.2436000     -0.1005000       4.195900    
 H    2.590100      -1.223200      0.4234000    
 H    4.529800       2.408000     -0.9092000    
 H   -1.244600      -3.806700      -1.604600    
 H   -2.008900      -4.389000     -9.5500000E-02
 H    4.409300      -2.538400     -0.5461000    
 H    6.345200       1.060000      -1.875200    
 H    6.295600      -1.413800      -1.699600    
 H   0.1481000      -5.573500     -0.5223000    
 H   0.9987000      -4.009500     -0.5282000    
 H   0.2467000      -4.583800      0.9543000    


%chk=000032259-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000032259

0 1
S -3.449573 0.602062 0.200514
F -3.487754 2.488765 -1.948563
F -4.052637 0.403822 -2.639318
F -1.870129 0.920032 -2.202074
O -0.703697 -2.450376 0.011224
O -4.837844 -0.191981 0.365803
O -3.172989 1.955979 1.039149
O -2.593864 -1.760154 -1.205167
O 3.422668 2.203514 1.680448
N -1.871230 -0.572160 0.674276
C -0.851315 0.009282 1.452457
C 0.432768 0.282427 0.900814
C 1.435107 0.864884 1.705748
C -1.144000 0.367918 2.797122
C 1.126039 1.236080 3.045662
C -3.199664 1.132465 -1.844485
C -0.152772 0.987698 3.584476
C -1.772370 -1.603064 -0.265559
C 2.804190 1.213587 1.177898
C 3.431705 0.408775 0.077703
C 3.136703 -0.965783 -0.137999
C 4.419122 1.042223 -0.725903
C -0.633694 -3.672270 -0.861743
C 3.815161 -1.685918 -1.145478
C 5.081264 0.325500 -1.741003
C 4.780588 -1.042309 -1.953628
C 0.572357 -4.472501 -0.385975
H 0.628307 0.040754 -0.148127
H -2.137796 0.155930 3.202206
H 1.903834 1.730614 3.636556
H -0.377782 1.273784 4.616420
H 2.407466 -1.478958 0.497864
H 4.652521 2.093878 -0.529812
H -0.543779 -3.341448 -1.911502
H -1.582546 -4.225711 -0.749165
H 3.598324 -2.749346 -1.296837
H 5.832158 0.824414 -2.362837
H 5.300590 -1.602923 -2.738390
H 0.664487 -5.393132 -0.990370
H 1.503798 -3.891097 -0.498134
H 0.463779 -4.761656 0.672829


