%chk=000064040.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064040

0 1
 S   -3.544400       1.148100       1.032800    
 F   -3.927500      0.9454000      -1.547900    
 F   -5.377300     -0.1152000     -0.3224000    
 O    4.349400       1.173600     -0.4961000    
 N    2.273500       2.113800     -0.1542000    
 N    2.628900     -0.2613000     -0.2179000    
 C   0.3970000      0.6119000      0.1995000    
 C   0.8868000       1.917400      0.1043000    
 C    1.370800     -0.4791000     -2.4000001E-03
 C  -0.9522000      0.3746000      0.4936000    
 C  -6.3999998E-03   2.985800      0.2809000    
 C   0.9383000      -1.889600      3.0400001E-02
 C   -1.825300       1.446000      0.6693000    
 C    3.142900       1.015600     -0.2970000    
 C   -1.354300       2.749700      0.5591000    
 C    2.797400       3.473700     -0.2539000    
 C   0.5294000      -2.513700      -1.143300    
 C   0.9450000      -2.583600       1.235600    
 C   0.1225000      -3.847500      -1.111400    
 C   0.5380000      -3.917400       1.267500    
 C   0.1268000      -4.549400      9.3999997E-02
 C   -4.059100      0.2010000     -0.4203000    
 H   -1.326100     -0.6410000      0.5887000    
 H   0.3186000       4.020100      0.2136000    
 H   -2.019400       3.599700      0.6915000    
 H    3.870500       3.476000     -0.4637000    
 H    2.638200       3.995200      0.6952000    
 H    2.293800       3.999200      -1.071400    
 H   0.5225000      -1.975200      -2.087100    
 H    1.263800      -2.100100       2.155100    
 H  -0.1980000      -4.339500      -2.025100    
 H   0.5413000      -4.463900       2.206000    
 H  -0.1901000      -5.587900      0.1189000    
 H   -3.492500     -0.7263000     -0.5358000    


%chk=000064040-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000064040

0 1
S -3.743791 0.872408 0.802948
F -4.526652 2.657958 -1.136970
F -5.730161 0.716641 -0.991737
O 4.357971 1.336495 0.365752
N 2.156785 2.049869 -0.024657
N 2.688146 -0.304491 0.289678
C 0.350699 0.431464 0.270697
C 0.788383 1.787531 0.063799
C 1.387273 -0.608539 0.278588
C -1.033831 0.178770 0.479906
C -0.178418 2.833365 -0.011336
C 1.064902 -2.065452 0.264097
C -1.969057 1.224172 0.428898
C 3.143295 1.026480 0.239124
C -1.539331 2.554130 0.174522
C 2.650727 3.420808 -0.267526
C 0.005414 -2.604406 -0.516901
C 1.897766 -2.951787 0.999930
C -0.228281 -3.996263 -0.539395
C 1.652588 -4.339259 0.987785
C 0.585536 -4.866754 0.221597
C -4.417694 1.244603 -0.908543
H -1.366225 -0.837916 0.703565
H 0.135043 3.865257 -0.183694
H -2.273128 3.365162 0.144941
H 3.747838 3.365373 -0.314681
H 2.367498 4.097556 0.558855
H 2.252539 3.813252 -1.219491
H -0.603597 -1.946944 -1.146421
H 2.735728 -2.530422 1.563566
H -1.037421 -4.400949 -1.156936
H 2.294840 -5.010070 1.568413
H 0.397770 -5.946017 0.208688
H -3.790352 0.824075 -1.710961


