%chk=000166570.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000166570

0 1
 Br   7.273000     -0.2575000       1.056700    
 F    3.937600     -6.4700000E-02  -3.038000    
 F    2.126700      -1.051900      -2.366700    
 F    2.251800       1.119000      -2.341100    
 O   -1.206600      -2.220300      0.7663000    
 O   0.4653000      0.1082000       2.452400    
 O   -4.869900       2.656300     -0.6615000    
 O   -3.061700       3.738500     -4.6300001E-02
 N   -3.688700       2.670900     -0.2421000    
 N    1.259900      7.2499998E-02  0.2451000    
 C   -3.881400      -2.242200     -0.1839000    
 C   -3.095800     -0.9434000      6.1900001E-02
 C   -5.297900      -1.903400     -0.6963000    
 C   -3.995200      -3.038000       1.134500    
 C   -3.230500      -3.178500      -1.227100    
 C   -1.804900      -1.018200      0.5226000    
 C   -3.734800      0.2452000     -0.1960000    
 C   -1.107700      0.1704000      0.7398000    
 C   -1.724200       1.396300      0.4890000    
 C   -3.037800       1.433600      2.1100000E-02
 C   0.2663000      0.1229000       1.229500    
 C  -0.9731000       2.670900      0.7233000    
 C    2.663900     -3.8000001E-03  0.4174000    
 C    3.499600     -4.6200000E-02 -0.6862000    
 C    3.168900     -3.5100002E-02   1.707000    
 C    4.879300     -0.1220000     -0.4953000    
 C    2.965500     -1.3800000E-02  -2.081100    
 C    4.548500     -0.1110000       1.898100    
 C    5.403900     -0.1546000      0.7969000    
 H   -5.864600      -2.829700     -0.8620000    
 H   -5.888500      -1.333600      3.1500001E-02
 H   -5.289100      -1.389500      -1.665300    
 H   -4.378700      -2.405900       1.944400    
 H   -4.694600      -3.875300       1.019400    
 H   -3.051900      -3.474000       1.473700    
 H   -3.871900      -4.042900      -1.436700    
 H   -3.067200      -2.649100      -2.173300    
 H   -2.262900      -3.575100     -0.9076000    
 H   -4.748800      0.3200000     -0.5601000    
 H   4.2399999E-02   2.506300       1.097100    
 H  -0.8237000       3.227800     -0.2083000    
 H   -1.441900       3.277100       1.506300    
 H  -0.2960000      -2.096900       1.078100    
 H   0.9369000      8.9199997E-02 -0.7195000    
 H    2.582200     -5.5999998E-03   2.612000    
 H    5.551100     -0.1564000      -1.349500    
 H    4.942600     -0.1354000       2.911000    


%chk=000166570-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000166570

0 1
Br 7.567996 -0.454690 0.885660
F 4.265295 2.581221 -1.993667
F 2.242831 1.564367 -2.157831
F 2.634491 3.049564 -0.493037
O -1.594318 -2.417702 1.247337
O 0.635925 -1.437091 1.654978
O -4.629525 2.418009 -1.348557
O -2.532393 3.202007 -1.761115
N -3.340372 2.314703 -1.272858
N 1.423115 0.182368 0.173671
C -4.293604 -2.384455 0.188666
C -3.301315 -1.206105 0.062987
C -5.653905 -2.054823 -0.481550
C -4.563767 -2.686158 1.695770
C -3.707097 -3.649023 -0.510467
C -1.962902 -1.278353 0.580774
C -3.660371 -0.000775 -0.548955
C -1.021375 -0.183198 0.412894
C -1.453901 1.074658 -0.126172
C -2.779297 1.108093 -0.629335
C 0.386771 -0.485661 0.812162
C -0.603804 2.333598 -0.020143
C 2.822621 0.029751 0.372410
C 3.733901 0.877816 -0.341173
C 3.367265 -0.946702 1.250761
C 5.130883 0.728685 -0.186443
C 3.254361 1.991507 -1.226531
C 4.759538 -1.084966 1.406342
C 5.636245 -0.252972 0.682308
H -6.325899 -2.924607 -0.370881
H -6.153551 -1.188607 -0.009274
H -5.548097 -1.853245 -1.564039
H -4.999504 -1.804563 2.201551
H -5.286552 -3.519114 1.778502
H -3.639083 -2.973789 2.219386
H -4.424467 -4.485641 -0.419086
H -3.538534 -3.460337 -1.587058
H -2.754818 -3.955889 -0.050903
H -4.661733 0.137769 -0.958765
H 0.142969 2.249168 0.784432
H -0.097403 2.591097 -0.968125
H -1.241373 3.204403 0.197878
H -0.642501 -2.260728 1.638616
H 1.139360 0.816669 -0.577502
H 2.684961 -1.591818 1.803036
H 5.806655 1.382027 -0.742937
H 5.151679 -1.845366 2.087484


