%chk=000169827.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000169827

0 1
 S    4.164400      -1.646500      0.6268000    
 F   0.2559000       1.967800     -0.9523000    
 F   -1.376700      0.7840000      -1.755900    
 F   -1.831500       1.960000      0.6379000    
 F  -0.1145000      0.9830000       1.522100    
 F   0.9825000     -0.1682000      -2.386000    
 F  -9.4499998E-02  -1.530400      -1.082600    
 F   -1.162200      -1.462700       1.086400    
 F   -2.377200     -0.1068000       2.267800    
 F   -3.753600      -1.798900      0.7345000    
 F   -2.776000      -1.115500      -1.079800    
 F   -5.268700     -6.4199999E-02 -0.7276000    
 F   -4.701700      0.7059000       1.225200    
 F   -3.721300       1.466400     -0.5680000    
 O    8.546400       1.034100      0.7531000    
 C  -0.4125000      0.7873000     -0.7948000    
 C   -1.081100      0.8236000      0.5729000    
 C   0.5610000     -0.3428000      -1.103300    
 C   -1.948200     -0.3537000      0.9949000    
 C    1.773800     -0.4189000     -0.1752000    
 C   -3.164800     -0.7127000      0.1553000    
 C    2.741800      -1.560700     -0.5000000    
 C   -4.221600      0.3545000      1.0700000E-02
 C    5.167500     -0.3416000     -0.1193000    
 C    6.478900     -0.1708000      0.6376000    
 C    7.334100      0.9279000      1.9600000E-02
 H    2.305200      0.5382000     -0.2211000    
 H    1.429700     -0.5636000      0.8545000    
 H    3.097100      -1.488200      -1.533400    
 H    2.209300      -2.514500     -0.4158000    
 H    5.373000     -0.6021000      -1.162900    
 H    4.611800      0.6008000     -0.1025000    
 H    7.051200      -1.107700      0.6407000    
 H    6.291800      7.4699998E-02   1.691200    
 H    7.577500      0.6944000      -1.021800    
 H    6.818300       1.892600      5.7599999E-02
 H    9.070100       1.740300      0.3377000    


%chk=000169827-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000169827

0 1
S 4.226733 -1.719882 0.412095
F 0.243398 2.012815 -1.197506
F -1.490932 0.721940 -1.943180
F -1.946989 2.090299 0.386565
F -0.073483 1.214557 1.358144
F 1.015380 -0.157152 -2.602602
F -0.155092 -1.598422 -1.275501
F -1.116933 -1.324578 1.275302
F -2.333518 0.256942 2.378157
F -3.794151 -1.738722 1.298528
F -2.966040 -1.391625 -0.800666
F -5.618939 -0.483469 -0.193404
F -4.756420 1.034414 1.253618
F -4.176252 1.090420 -0.943554
O 8.726616 0.808519 1.016680
C -0.451651 0.787527 -0.987029
C -1.119477 0.942256 0.434098
C 0.579634 -0.369142 -1.252011
C -1.972796 -0.210118 1.091161
C 1.781615 -0.465768 -0.322420
C -3.291907 -0.754926 0.413539
C 2.776716 -1.555143 -0.780032
C -4.473201 0.249041 0.132100
C 5.258345 -0.218872 -0.127897
C 6.601945 -0.243565 0.620798
C 7.487856 0.949052 0.236239
H 2.275190 0.521822 -0.292009
H 1.435380 -0.694516 0.699496
H 3.174047 -1.346359 -1.786406
H 2.297535 -2.547496 -0.792316
H 5.403858 -0.292940 -1.221123
H 4.694061 0.703048 0.102450
H 7.147490 -1.177976 0.394670
H 6.433423 -0.217509 1.713410
H 7.700408 0.931898 -0.855490
H 6.971613 1.904418 0.477979
H 9.341738 1.554211 0.802315


