%chk=000158442.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158442

0 1
 Br  0.3585000      0.3048000       1.988200    
 F   -1.233600      -3.480900     -3.4600001E-02
 F  -7.9099998E-02  -2.710100      -1.701100    
 F   0.6827000      -2.518700      0.3266000    
 F    5.554900      0.2676000       1.787400    
 O   -1.129700       3.599000     -0.6716000    
 O   0.6752000       2.490300      -1.263600    
 O   -4.978300     -0.8811000       1.169800    
 O   -4.982500       1.310800      0.9873000    
 N   0.8433000      3.4600001E-02  -1.121300    
 N  -0.4963000       2.529100     -0.8222000    
 N   -4.416900      0.1981000      0.8651000    
 C  -0.4803000      8.1699997E-02 -0.6221000    
 C   -1.130200      -1.102900     -0.2753000    
 C   -1.134800       1.304800     -0.4764000    
 C    2.036200      9.6400000E-02 -0.3527000    
 C   -2.434500      -1.064200      0.2174000    
 C   -2.439100       1.343500      1.6200000E-02
 C   -3.089000      0.1590000      0.3632000    
 C    1.033600     -0.3640000      -2.523000    
 C  -0.4550000      -2.428300     -0.4198000    
 C    1.996300      0.2154000       1.032800    
 C    3.254800      3.5100002E-02  -1.021800    
 C    3.186900      0.2736000       1.757000    
 C    4.445400      9.3500003E-02 -0.2975000    
 C    4.411600      0.2129000       1.091800    
 H   -2.929000      -1.994700      0.4845000    
 H   -2.953300       2.294700      0.1321000    
 H   6.6500001E-02 -0.5136000      -3.020900    
 H    1.583500      -1.307100      -2.621700    
 H    1.531400      0.4268000      -3.096900    
 H    3.364400     -4.1099999E-02  -2.097600    
 H    3.181200      0.3665000       2.839900    
 H    5.399800      4.9500000E-02 -0.8141000    


%chk=000158442-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000158442

0 1
Br 0.854723 -0.876471 2.298461
F -2.058189 -3.599409 -0.107219
F -1.305859 -3.109962 -2.180730
F 0.139794 -3.219177 -0.432573
F 5.408615 1.699010 1.682735
O 0.063420 3.191768 0.270656
O 0.756860 2.204107 -1.666149
O -5.232287 -0.326093 0.812633
O -4.619404 1.851541 1.151626
N 0.953902 -0.564840 -0.975662
N 0.083609 2.211368 -0.564385
N -4.373373 0.638330 0.784738
C -0.378802 -0.290857 -0.618128
C -1.400948 -1.305891 -0.525638
C -0.789732 1.043512 -0.277415
C 2.051148 0.036608 -0.274036
C -2.698589 -0.984933 -0.090011
C -2.061384 1.361269 0.217749
C -3.012631 0.332040 0.297555
C 1.252506 -1.204242 -2.281815
C -1.146047 -2.772718 -0.794370
C 2.165611 0.014425 1.149684
C 3.119308 0.626888 -1.008328
C 3.276006 0.583562 1.805107
C 4.249227 1.174173 -0.376515
C 4.297118 1.151233 1.026225
H -3.466769 -1.756662 0.005470
H -2.320751 2.387622 0.491250
H 0.383446 -1.769081 -2.642260
H 2.106405 -1.892345 -2.180039
H 1.479878 -0.430988 -3.040164
H 3.045606 0.683240 -2.096066
H 3.362960 0.564055 2.893944
H 5.059227 1.629917 -0.951232


