%chk=000163862.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163862

1 1
 S    2.007300      -2.307300      0.5491000    
 F   -6.414500      0.4311000     -0.6524000    
 F   -6.471100      0.8889000       1.479600    
 F   -5.611200     -0.9969000      0.7870000    
 O   -3.643300      0.3498000     -0.6583000    
 N   0.4815000      0.2798000     -0.2667000    
 N    2.610300     -0.7664000      0.1823000    
 N    2.564400       1.385300     -0.2437000    
 C  -0.2015000     -0.9032000     -0.3653000    
 C    1.807500      0.3043000     -0.1253000    
 C   0.5198000      -2.223700     -0.4668000    
 C   -1.599200     -0.8890000     -0.5058000    
 C    3.919700     -0.3850000      0.2389000    
 C  -0.2010000       1.454400     -0.3082000    
 C    3.863700      0.9793000     -3.4499999E-02
 C   -2.289100      0.3126000     -0.5287000    
 C   -1.582800       1.496500     -0.4323000    
 C   -2.379800      -2.158300     -0.6570000    
 C    5.120200      -1.055200      0.4997000    
 C    5.052100       1.728800     -5.7999998E-02
 C    6.293600     -0.2940000      0.4712000    
 C    6.262300       1.074000      0.1969000    
 C   -4.379300      0.9762000      0.3915000    
 C   -5.729700      0.3180000      0.5067000    
 H  -9.7400002E-02  -3.060700     -0.1331000    
 H   0.7877000      -2.400200      -1.514400    
 H   0.3653000       2.377400     -0.2277000    
 H   -2.086200       2.458100     -0.4609000    
 H   -3.436200      -1.994300     -0.8907000    
 H   -1.980300      -2.761400      -1.479500    
 H   -2.344500      -2.736100      0.2726000    
 H    5.151400      -2.117600      0.7138000    
 H    5.037000       2.793600     -0.2679000    
 H    7.247100     -0.7782000      0.6671000    
 H    7.190100       1.640200      0.1824000    
 H   -4.500600       2.038500      0.1547000    
 H   -3.852500      0.8865000       1.349500    


%chk=000163862-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163862

1 1
S 2.053352 -2.504966 0.544983
F -6.301585 0.115714 -1.050888
F -6.832070 1.755358 0.438163
F -6.242203 -0.317272 1.174405
O -3.691038 -0.023717 0.002749
N 0.462275 0.163659 -0.062513
N 2.691635 -0.856984 0.192084
N 2.567452 1.395835 -0.201494
C -0.196759 -1.049850 -0.330107
C 1.887299 0.255194 -0.038498
C 0.660398 -2.230799 -0.715616
C -1.602376 -1.111341 -0.290052
C 4.024909 -0.400319 0.182697
C -0.244885 1.324612 0.190678
C 3.919318 1.019136 -0.056689
C -2.324422 0.098382 -0.015341
C -1.632329 1.318575 0.207731
C -2.350317 -2.401035 -0.557494
C 5.258667 -1.057362 0.349921
C 5.088282 1.812949 -0.137122
C 6.406895 -0.244133 0.269420
C 6.323920 1.164326 0.032437
C -4.532249 1.156114 0.259282
C -5.978563 0.659538 0.201945
H 0.075521 -3.159483 -0.737699
H 1.146395 -2.084167 -1.695840
H 0.366584 2.212330 0.365131
H -2.148709 2.258884 0.409449
H -3.433354 -2.249153 -0.452863
H -2.163066 -2.773094 -1.580965
H -2.053418 -3.193675 0.152962
H 5.333073 -2.133696 0.529608
H 5.019386 2.887791 -0.324758
H 7.393458 -0.703031 0.388854
H 7.249362 1.745621 -0.020508
H -4.385387 1.923600 -0.521515
H -4.334650 1.572258 1.263263


