%chk=000042446.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042446

0 1
 Br   4.687700       1.536600      0.2301000    
 O  -0.3408000      -1.775700     -0.3597000    
 O   -3.046500       2.024300      0.3987000    
 O   -3.863500      0.2884000     -0.6831000    
 N   -2.946000      0.9052000     -0.1236000    
 C   -1.645700      -1.214200     -8.6300001E-02
 C   -1.672000      0.2761000     -7.5999998E-02
 C   0.6813000      0.4235000     -5.7799999E-02
 C   0.7570000     -0.9685000     -0.2049000    
 C  -0.6172000       1.086400     -6.7900002E-02
 C   -2.124300      -1.811500       1.236700    
 C    1.860200       1.167000      7.0299998E-02
 C    2.000200      -1.605300     -0.2315000    
 C    3.099900      0.5258000      5.3300001E-02
 C    3.169700     -0.8580000     -9.8399997E-02
 H   -2.280500      -1.598100     -0.8937000    
 H  -0.6510000       2.169400     -8.1299998E-02
 H   -3.152800      -1.520000       1.471500    
 H   -2.077400      -2.905700       1.198500    
 H   -1.477900      -1.501100       2.065900    
 H    1.809800       2.248400      0.1817000    
 H    2.064400      -2.683300     -0.3535000    
 H    4.128300      -1.370200     -0.1174000    


%chk=000042446-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042446

0 1
Br 4.761484 1.463792 0.538281
O -0.390788 -1.720713 -0.604547
O -3.150200 2.216765 -0.307092
O -4.093611 0.127662 -0.317016
N -3.066581 0.926050 -0.271465
C -1.718798 -1.220895 -0.096529
C -1.754026 0.297005 -0.160839
C 0.673848 0.420253 -0.001460
C 0.747298 -0.978493 -0.299494
C -0.625925 1.063835 -0.053898
C -1.957360 -1.762194 1.323530
C 1.874979 1.142913 0.242664
C 1.997349 -1.627633 -0.385574
C 3.107498 0.476033 0.183858
C 3.180429 -0.902428 -0.136633
H -2.445173 -1.657027 -0.799199
H -0.711844 2.155577 -0.041248
H -2.977621 -1.497636 1.651586
H -1.863322 -2.861231 1.325382
H -1.232807 -1.338830 2.041072
H 1.825484 2.212660 0.469000
H 2.032488 -2.690406 -0.639835
H 4.150100 -1.405558 -0.188946


