%chk=000053018.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053018

0 1
 Br  -2.469600      -2.845200      0.2271000    
 O    6.227900     -6.6399999E-02 -2.5200000E-02
 O    5.446000       1.984400     -0.1692000    
 N   2.0400001E-02  -1.245700      8.4200002E-02
 N   -1.028000     -0.4126000      3.1300001E-02
 N    5.273400      0.7454000     -7.9400003E-02
 N   -5.694400      0.2199000     -0.6013000    
 C    1.338600     -0.7461000      4.3000001E-02
 C    3.946100      0.2423000     -3.8199998E-02
 C    2.419700      -1.625300      0.1012000    
 C    1.561100      0.6275000     -5.5799998E-02
 C    3.723500      -1.131100      6.0699999E-02
 C    2.864800       1.121700     -9.6400000E-02
 C   -3.409500     -6.7199998E-02  2.8600000E-02
 C   -2.211200     -0.9481000      7.4400000E-02
 C   -3.341900       1.202700      0.5451000    
 C   -4.570600     -0.5281000     -0.5279000    
 C   -4.477900       2.002700      0.4881000    
 C   -5.618400       1.469200     -9.0099998E-02
 H    2.258900      -2.697600      0.1783000    
 H   0.7424000       1.340500     -0.1031000    
 H    4.540900      -1.846000      0.1083000    
 H    3.000100       2.197500     -0.1735000    
 H  -0.1161000      -2.247400      0.1559000    
 H   -2.438800       1.597500      0.9999000    
 H   -4.676900      -1.509800     -0.9737000    
 H   -4.471200       3.011300      0.8850000    
 H   -6.531000       2.052200     -0.1585000    


%chk=000053018-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000053018

0 1
Br -2.564267 -3.003445 -0.154653
O 6.315597 -0.033338 0.073245
O 5.474253 2.088525 0.178800
N 0.063250 -1.317371 -0.043701
N -1.043453 -0.530616 -0.008244
N 5.328511 0.803865 0.109738
N -5.881991 0.177062 -0.019521
C 1.351425 -0.765284 -0.004892
C 3.959659 0.262798 0.070266
C 2.466978 -1.649793 -0.042692
C 1.555870 0.640932 0.070672
C 3.771468 -1.137323 -0.005181
C 2.860630 1.153205 0.108177
C -3.443037 -0.125643 -0.000414
C -2.257741 -0.993148 -0.042564
C -3.271319 1.288323 0.101087
C -4.777210 -0.620240 -0.057226
C -4.405643 2.117052 0.140521
C -5.691029 1.524679 0.078508
H 2.308328 -2.732976 -0.100681
H 0.689985 1.305895 0.098381
H 4.644618 -1.794044 -0.032630
H 3.049160 2.228396 0.165980
H -0.061784 -2.339735 -0.100110
H -2.261163 1.704415 0.146423
H -4.970425 -1.694590 -0.136066
H -4.303282 3.203727 0.218270
H -6.599089 2.136876 0.107307


