%chk=000176599.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176599

0 1
 Br   6.590400       3.193400      -1.171600    
 O    6.038300      0.2973000     -4.2300001E-02
 O    4.783500     -0.6835000       1.625500    
 C   -2.733700     -3.5200000E-02 -0.2018000    
 C   -1.668000      -1.130900     -0.1280000    
 C   -4.134400     -0.6089000      2.4100000E-02
 C  -0.2638000     -0.5552000     -0.3212000    
 C   -5.239300      0.4510000     -8.3999997E-03
 C   0.7988000      -1.656000     -0.2801000    
 C   -6.646200     -0.1311000      0.1440000    
 C    2.198400      -1.083500     -0.5065000    
 C   -7.712600      0.9608000      3.1900000E-02
 C    3.321200      -2.126800     -0.4490000    
 C   -9.117400      0.3873000      0.2162000    
 C    4.725500      -1.553100     -0.6435000    
 C   -10.17760       1.474300      0.1389000    
 C    5.153000     -0.6124000      0.4613000    
 C    6.561100       1.236100      0.9029000    
 C    7.522800       2.176300      0.2079000    
 H   -2.691900      0.4572000      -1.180700    
 H   -2.527500      0.7309000      0.5554000    
 H   -1.866200      -1.886200     -0.8982000    
 H   -1.725100      -1.636700      0.8435000    
 H   -4.165600      -1.125100      0.9916000    
 H   -4.339800      -1.364700     -0.7443000    
 H  -5.8400001E-02  0.1852000      0.4614000    
 H  -0.2121000     -3.1800002E-02  -1.283700    
 H   -5.059500       1.182900      0.7887000    
 H   -5.177900      0.9968000     -0.9583000    
 H   0.5846000      -2.408000      -1.049100    
 H   0.7636000      -2.165700      0.6902000    
 H   -6.816100     -0.8895000     -0.6297000    
 H   -6.728800     -0.6345000       1.114700    
 H    2.229800     -0.5846000      -1.483400    
 H    2.385200     -0.3076000      0.2458000    
 H   -7.528800       1.731000      0.7911000    
 H   -7.639700       1.448800     -0.9477000    
 H    3.272600      -2.650100      0.5141000    
 H    3.142400      -2.880600      -1.225600    
 H   -9.315900     -0.3661000     -0.5550000    
 H   -9.190200     -0.1156000       1.187600    
 H    5.457500      -2.367100     -0.6836000    
 H    4.758300      -1.019700      -1.600900    
 H   -10.02650       2.226100      0.9201000    
 H   -10.15270       1.978000     -0.8326000    
 H   -11.17410       1.041800      0.2720000    
 H    5.732700       1.796300       1.353000    
 H    7.093500      0.6916000       1.691100    
 H    8.314300       1.632700     -0.3153000    
 H    7.957600       2.901600      0.8995000    


%chk=000176599-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000176599

0 1
Br 7.165618 3.307352 -1.032669
O 6.324191 0.226538 -0.015873
O 4.807923 -0.479432 1.603494
C -2.832005 -0.032832 -0.269094
C -1.706307 -1.084966 -0.153580
C -4.240570 -0.610162 -0.002719
C -0.296836 -0.507134 -0.413712
C -5.366971 0.441464 -0.116622
C 0.827421 -1.560267 -0.294042
C -6.775239 -0.136246 0.151260
C 2.237598 -0.978893 -0.539512
C -7.902373 0.914634 0.037132
C 3.351737 -2.042381 -0.415481
C -9.310576 0.335518 0.304602
C 4.767630 -1.483475 -0.669775
C -10.430636 1.392077 0.189231
C 5.248867 -0.557761 0.435017
C 6.900671 1.161779 0.979893
C 7.964250 1.985994 0.279704
H -2.807544 0.420390 -1.282415
H -2.634563 0.793997 0.445103
H -1.901956 -1.910621 -0.869849
H -1.733383 -1.539817 0.858889
H -4.264335 -1.063524 1.010570
H -4.438273 -1.437093 -0.716902
H -0.101727 0.317905 0.302835
H -0.268114 -0.052345 -1.426197
H -5.169054 1.268648 0.597105
H -5.343936 0.894537 -1.130048
H 0.636826 -2.383211 -1.015080
H 0.793816 -2.017303 0.716914
H -6.972910 -0.963833 -0.562212
H -6.798261 -0.588944 1.164922
H 2.275203 -0.520236 -1.550063
H 2.426523 -0.165200 0.188495
H -7.706857 1.742250 0.751128
H -7.880798 1.368157 -0.976181
H 3.317009 -2.490279 0.596241
H 3.162331 -2.859486 -1.139495
H -9.505356 -0.491144 -0.409071
H -9.331136 -0.117546 1.316998
H 5.502956 -2.310832 -0.740223
H 4.826093 -0.940552 -1.631073
H -10.273762 2.215702 0.911402
H -10.453912 1.836091 -0.824067
H -11.425664 0.952972 0.388585
H 6.098641 1.782051 1.416132
H 7.363041 0.571320 1.796995
H 8.646541 1.361239 -0.315028
H 8.523466 2.602102 1.000336


