%chk=000105451.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105451

1 1
 S    2.045600     -0.5608000      0.9627000    
 F  -0.9247000      0.2330000      0.8547000    
 F  -0.6394000      -1.863700       1.352700    
 F   -1.712100     -0.5849000      -1.752300    
 F   -1.458100      -2.644000      -1.113100    
 F   0.8308000     -5.4099999E-02  -1.267100    
 F    1.034300      -2.166900     -0.7881000    
 F   -3.197400      -2.366000      0.8818000    
 F   -3.972800      -1.874800      -1.089300    
 F   -5.009000     -0.4641000      0.9154000    
 F   -3.062700      0.2430000       1.565900    
 F   -4.643300      0.6658000      -1.555900    
 F   -2.664100       1.368200     -0.9758000    
 F   -5.737700       2.012500      0.5998000    
 F   -4.580100       3.276700     -0.7511000    
 F   -3.745500       2.687600       1.175000    
 O    1.847000      0.8018000       1.417600    
 O    2.120800      -1.657300       1.908900    
 N    7.527200      0.7897000      2.5200000E-02
 N    3.440300     -0.6200000     -2.5800001E-02
 C    6.073500      0.6878000      0.3023000    
 C    5.318700      0.6238000      -1.019500    
 C  -0.6381000     -0.9782000      0.3145000    
 C   -1.735400      -1.387200     -0.6596000    
 C   0.7790000     -0.9446000     -0.2399000    
 C   -3.151400      -1.419100     -9.9500000E-02
 C    3.808400      0.5659000     -0.8202000    
 C   -3.759700     -0.1441000      0.4670000    
 C    8.331400      0.8176000       1.332500    
 C    8.009400     -0.4077000     -0.8056000    
 C    7.845300       2.071600     -0.7572000    
 C   -3.885000       1.030800     -0.4905000    
 C   -4.495300       2.261800      0.1347000    
 H    5.908500     -0.2114000      0.9071000    
 H    5.772200       1.563000      0.8904000    
 H    5.509800       1.497300      -1.648800    
 H    5.593000     -0.2665000      -1.594400    
 H    3.312000      0.5025000      -1.794300    
 H    3.479100       1.487100     -0.3305000    
 H    8.128200     -0.1097000       1.876100    
 H    9.395600      0.8962000       1.091400    
 H    8.003700       1.684500       1.913700    
 H    9.104200     -0.3968000     -0.8111000    
 H    7.646000      -1.325500     -0.3342000    
 H    7.655800     -0.3170000      -1.835500    
 H    7.501600       1.977900      -1.789800    
 H    7.367300       2.914600     -0.2501000    
 H    8.932100       2.204100     -0.7625000    
 H    3.682100      -1.523100     -0.4533000    


%chk=000105451-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000105451

1 1
S 2.490164 -0.445501 0.274901
F -0.456934 0.359803 0.676029
F -0.628568 -1.920729 0.495865
F -1.880335 0.823512 -1.540504
F -1.596448 -1.311806 -2.306981
F 0.912134 0.249969 -1.969456
F 1.062388 -1.993854 -1.604320
F -3.178085 -2.347385 -0.318181
F -4.149840 -0.771289 -1.640694
F -5.041889 -0.912712 0.977176
F -2.925344 -0.570525 1.779057
F -4.568764 1.673759 -0.559829
F -2.829685 1.936167 0.898480
F -6.386369 1.475193 1.468535
F -4.968285 3.186984 1.900114
F -4.763016 1.237126 3.045914
O 2.968241 1.080025 0.006574
O 2.203465 -1.052985 1.736681
N 7.382734 1.078057 0.107547
N 3.793345 -1.456242 -0.472476
C 5.976867 0.584586 -0.327453
C 5.955502 -0.548454 -1.364634
C -0.538610 -0.720039 -0.233187
C -1.817396 -0.529190 -1.143000
C 0.805859 -0.753487 -1.014807
C -3.232241 -0.960738 -0.586376
C 4.483716 -0.945472 -1.675251
C -3.810970 -0.272490 0.714946
C 7.176678 2.204315 1.125030
C 8.176135 -0.045334 0.770935
C 8.163663 1.624288 -1.084735
C -4.066379 1.282592 0.698023
C -5.071188 1.798064 1.800164
H 5.473842 0.255462 0.596886
H 5.440153 1.472945 -0.701625
H 6.419076 -0.242248 -2.321331
H 6.483553 -1.445828 -0.995590
H 4.471593 -1.719704 -2.462639
H 3.942526 -0.064851 -2.071372
H 6.611257 1.811746 1.983495
H 8.158199 2.574743 1.458008
H 6.607509 3.018137 0.651097
H 9.121093 0.366603 1.157308
H 7.582808 -0.461291 1.599238
H 8.392539 -0.830102 0.032739
H 8.382555 0.808153 -1.787759
H 7.561690 2.398722 -1.584200
H 9.107714 2.060771 -0.723749
H 3.594448 -2.462165 -0.390192


