%chk=000110559.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000110559

0 1
 S    1.088100      -1.201800     -0.6561000    
 F   -1.647500      -2.563600     -0.3945000    
 F   -2.391300      -1.346900       1.237100    
 F  -8.3200000E-02  0.1556000       1.214000    
 F   8.0899999E-02  -1.975700       1.592600    
 F   -1.526300     -0.4313000      -2.043300    
 F   -3.464400     -0.8429000      -1.163500    
 F   -1.149400       1.681700     -0.3562000    
 F   -2.943800       1.741000      -1.577200    
 F   -4.466500      0.9524000      0.5386000    
 F   -3.303700       2.747000      0.9330000    
 F   -2.700700      0.8430000       1.813500    
 O    1.228300      8.7600000E-02  -1.304700    
 O   0.8219000      -2.397200      -1.432500    
 N    2.482200      -1.445200      0.2977000    
 N    4.726100       1.286100     -0.3464000    
 C   -1.589700      -1.306000      0.1335000    
 C  -0.1665000      -1.058600      0.6125000    
 C   -2.220500     -0.3566000     -0.8748000    
 C   -2.370400       1.112500     -0.5103000    
 C    2.867100     -0.4556000       1.317100    
 C    4.386900     -0.3897000       1.447300    
 C    5.120700     -2.5500000E-02  0.1531000    
 C   -3.209200       1.421700      0.7052000    
 C    5.062100       1.419900      -1.765100    
 C    5.368800       2.348200      0.4296000    
 H    2.474200      0.5341000       1.064800    
 H    2.431900     -0.7546000       2.276600    
 H    2.693200      -2.415900      0.5640000    
 H    4.649000      0.3037000       2.254000    
 H    4.751800      -1.374000       1.770000    
 H    6.205400     -8.2300000E-02  0.3146000    
 H    4.890200     -0.7993000     -0.5907000    
 H    4.532300      0.6668000      -2.359400    
 H    6.137500       1.312100      -1.946800    
 H    4.743100       2.396500      -2.146000    
 H    5.056500       2.327500       1.478100    
 H    5.070300       3.331200      4.6999998E-02
 H    6.462700       2.288500      0.3907000    


%chk=000110559-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000110559

0 1
S 1.269909 -1.297211 -0.596234
F -1.823070 -2.664574 0.054952
F -2.685666 -1.093087 1.472611
F -0.217094 0.371023 1.228533
F 0.004444 -1.803030 1.881070
F -1.535173 -0.749731 -1.963960
F -3.638242 -1.146501 -1.150320
F -1.424352 1.708786 -0.833143
F -3.328278 1.341380 -2.037307
F -4.711135 0.900663 0.521564
F -3.882877 2.949849 0.016014
F -2.822778 1.658861 1.540654
O 1.542276 0.152419 -1.252181
O 0.947308 -2.633204 -1.443654
N 2.651627 -1.682927 0.472201
N 4.920634 1.384406 -0.094855
C -1.792321 -1.287524 0.370025
C -0.347687 -0.957427 0.807678
C -2.402115 -0.524530 -0.865860
C -2.662445 1.034372 -0.827112
C 3.226101 -0.651342 1.363420
C 4.770120 -0.697162 1.281987
C 5.264932 -0.055477 -0.034241
C -3.535045 1.634190 0.336218
C 4.621799 1.875728 -1.457852
C 5.885172 2.245198 0.617347
H 2.923952 0.350615 0.999013
H 2.861567 -0.784107 2.400017
H 2.574224 -2.651730 0.812982
H 5.169565 -0.145364 2.155473
H 5.137784 -1.738847 1.359959
H 6.363598 -0.226986 -0.143565
H 4.772613 -0.570709 -0.879101
H 3.813682 1.268511 -1.898928
H 5.507271 1.855047 -2.140719
H 4.263700 2.919558 -1.400071
H 6.028757 1.889726 1.653186
H 5.496187 3.277846 0.668053
H 6.889155 2.277695 0.123247


