%chk=000103662.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103662

0 1
 S    6.267600      0.8161000     -0.1187000    
 F   -3.207700      -1.062600       1.333700    
 F   -4.140800     -0.1891000     -0.4253000    
 F   -2.724300      0.3805000      -2.252900    
 F   -2.608200       2.280800      -1.248200    
 F   -1.755800       2.532300       1.087500    
 F   -1.022300      0.8602000       2.222300    
 F   0.1568000       1.607400      0.5657000    
 F   -5.190400      0.7285000       1.846900    
 F   -3.244300       1.438500       2.544200    
 F   -4.133000       2.260800      0.7381000    
 F  -0.8820000       2.026900      -3.326500    
 F   0.1681000       2.210500      -1.425900    
 F   1.8800000E-02  0.2770000      -2.406100    
 F   -2.981100      -1.709300      -1.542800    
 F   -2.105100      -3.217600     -0.2499000    
 F   -1.062200      -2.530600      -2.039200    
 F    1.836100      -2.898600       1.109400    
 F    1.102500      -3.028400     -0.9249000    
 F  -0.1223000      -3.785900      0.7050000    
 O   0.7301000     -0.6053000       1.348600    
 O    6.272700       2.445700     -0.2502000    
 O    7.130700      0.4781000       1.003600    
 O    6.512900      0.2558000      -1.438400    
 C   -1.834300      0.3665000     -8.2000000E-03
 C   -3.270100      8.3700001E-02  0.5900000    
 C   -1.940500       1.099700      -1.402500    
 C   -1.111900      -1.056300     -0.1314000    
 C   -1.111000       1.352200      0.9637000    
 C   -3.963700       1.119800       1.450900    
 C  -0.6565000       1.422200      -2.144400    
 C   4.7300000E-02  -1.431200      0.4819000    
 C   -1.814400      -2.111600     -0.9851000    
 C   0.7147000      -2.776300      0.3551000    
 C    2.012100     -0.2766000       1.009000    
 C    2.380300     -0.2011000     -0.3344000    
 C    2.952400     -1.5500000E-02   2.005600    
 C    4.629100      0.3964000      0.3157000    
 C    3.688700      0.1355000     -0.6810000    
 C    4.260900      0.3211000       1.659000    
 H    1.689900     -0.3979000      -1.142800    
 H    2.670100     -7.1300000E-02   3.053300    
 H    3.950700      0.1946000      -1.733700    
 H    4.974400      0.5269000       2.451900    
 H    7.141300       2.845200     -0.4913000    


%chk=000103662-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000103662

0 1
S 6.647181 0.811872 0.292523
F -3.325141 -0.898500 1.546962
F -4.389078 0.129485 -0.223355
F -2.707735 -0.028944 -2.301791
F -3.007288 2.050267 -1.406987
F -1.701511 2.589279 0.911853
F -0.818762 0.910484 2.142499
F 0.211066 1.678340 0.263100
F -5.218855 0.836372 2.156693
F -3.234859 1.639468 2.847467
F -4.291852 2.569009 1.054035
F -1.262842 1.534267 -3.682862
F -0.468157 2.750734 -1.970548
F 0.206789 0.584851 -2.248714
F -3.496261 -1.983591 -0.991575
F -2.358284 -3.253477 0.434762
F -1.613717 -2.952733 -1.709371
F 1.855892 -2.981933 0.673414
F 1.179995 -2.854543 -1.492065
F -0.014165 -4.009870 0.050634
O 0.810774 -0.628581 0.874231
O 6.345494 2.631871 0.095582
O 7.393676 0.555248 1.703673
O 7.249658 0.228580 -1.089687
C -1.897412 0.331541 -0.007842
C -3.364809 0.271497 0.739710
C -2.114395 0.954868 -1.481623
C -1.299242 -1.128048 -0.130862
C -1.022851 1.353045 0.835201
C -4.000038 1.377089 1.710879
C -0.882990 1.474986 -2.341283
C 0.010411 -1.482651 0.160465
C -2.200427 -2.295543 -0.595786
C 0.718588 -2.849102 -0.152931
C 2.202913 -0.349394 0.660071
C 2.779432 -0.313368 -0.625015
C 2.911842 -0.028081 1.833023
C 4.838138 0.359533 0.440133
C 4.138273 0.048876 -0.735076
C 4.267525 0.338809 1.723294
H 2.202938 -0.548427 -1.521624
H 2.407641 -0.068257 2.801513
H 4.637937 0.077680 -1.708041
H 4.866275 0.582097 2.605950
H 7.234532 3.082594 -0.003330


