%chk=000086019.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086019

0 1
 S   0.4916000     -0.2001000      -1.331100    
 S    3.965100      8.8000000E-03  -1.849600    
 P    2.471300     -8.9999998E-04 -0.5774000    
 F   -2.670600       1.302800      0.9029000    
 F   -5.189600     -6.4900003E-02  0.7957000    
 F   -4.612300     -0.9913000      -1.085000    
 O    2.478600       1.312400      0.3970000    
 O    2.658400      -1.141400      0.5794000    
 C  -0.5559000     -0.4101000      0.1228000    
 C    2.339800       2.612700     -0.1512000    
 C    2.715200      -2.514600      0.2299000    
 C   -1.986300     -0.5614000     -0.2903000    
 C    2.381200       3.627900      0.9709000    
 C    2.891100      -3.336900       1.488700    
 C   -2.975100      0.2580000      9.8099999E-02
 C   -4.402600      9.8899998E-02 -0.3007000    
 H  -0.2407000      -1.307700      0.6635000    
 H  -0.4088000      0.4470000      0.7871000    
 H    3.154700       2.809500     -0.8534000    
 H    1.388300       2.685100     -0.6858000    
 H    1.791500      -2.803100     -0.2795000    
 H    3.558500      -2.692600     -0.4431000    
 H   -2.225000      -1.412300     -0.9250000    
 H    2.275600       4.644700      0.5823000    
 H    1.577600       3.439400       1.690500    
 H    3.325000       3.556000       1.521500    
 H    2.939200      -4.404100       1.255100    
 H    3.807800      -3.047900       2.013200    
 H    2.060300      -3.163700       2.180800    
 H   -4.753000      0.9810000     -0.8435000    


%chk=000086019-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000086019

0 1
S 0.493702 0.665350 -2.092486
S 4.049950 -0.141930 -1.764050
P 2.297503 0.202655 -0.733504
F -3.561730 0.337492 -0.923929
F -4.098650 -1.167125 1.635704
F -2.310003 -2.472946 1.010680
O 2.240559 1.467970 0.453729
O 1.707259 -1.011867 0.360658
C -0.749091 1.185194 -0.716211
C 3.026986 2.712325 0.185857
C 1.774634 -2.435933 -0.098246
C -1.345845 -0.003295 -0.030749
C 2.938419 3.541220 1.463061
C 1.257475 -3.277967 1.063879
C -2.636341 -0.382681 -0.130305
C -3.301629 -1.569864 0.505099
H -0.168972 1.803858 -0.012712
H -1.493080 1.802374 -1.243173
H 4.068738 2.431487 -0.057441
H 2.582865 3.238238 -0.681521
H 1.146996 -2.550802 -1.003567
H 2.824973 -2.673149 -0.350960
H -0.678512 -0.609031 0.592198
H 3.503475 4.482644 1.332747
H 1.891160 3.794267 1.700409
H 3.367897 2.989382 2.315605
H 1.317006 -4.349099 0.795509
H 1.867793 -3.110583 1.967085
H 0.206005 -3.038966 1.295762
H -3.968641 -2.128017 -0.175329


