%chk=000034421.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034421

0 1
 Br  -4.738600       2.000300       2.169200    
 O  -0.1969000     -0.1523000      0.4236000    
 O  -0.4022000     -0.3536000      -1.889300    
 O    1.371500      -3.885600      0.5595000    
 O  -0.3841000      -2.570200      0.6413000    
 N    1.413600       2.025200      7.2400004E-02
 N   0.8515000      -2.745500      0.5223000    
 C    1.963100      0.7967000      0.1135000    
 C    3.353300      0.5982000     -1.9600000E-02
 C    1.155700     -0.3233000      0.2917000    
 C    1.691900      -1.612600      0.3394000    
 C    3.892800     -0.6985000      2.8200001E-02
 C    3.062100      -1.800700      0.2074000    
 C    4.166500       1.725300     -0.1990000    
 C   -2.348700      7.4999998E-03 -0.5603000    
 C    3.603200       2.992500     -0.2417000    
 C  -0.8928000     -0.1842000     -0.7832000    
 C    2.233500       3.087000     -0.1023000    
 C   -2.764700      0.7752000      0.5078000    
 C   -3.239100     -0.5888000      -1.429100    
 C   -4.132200      0.9546000      0.7165000    
 C   -4.606500     -0.4095000      -1.220600    
 C   -5.053100      0.3622000     -0.1479000    
 H    4.964200     -0.8563000     -7.4199997E-02
 H    3.521200      -2.785100      0.2383000    
 H    5.243900       1.621700     -0.3063000    
 H    4.217000       3.874800     -0.3796000    
 H    1.737000       4.051500     -0.1276000    
 H   -2.053800       1.251700       1.177300    
 H   -2.903600      -1.194900      -2.265300    
 H   -5.323500     -0.8715000      -1.892900    
 H   -6.122000      0.4918000      6.0000003E-04


%chk=000034421-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000034421

0 1
Br -4.884804 0.614529 2.808444
O -0.202853 -0.382048 0.327020
O -0.436541 -0.307402 -2.004375
O 1.679056 -3.790999 1.638726
O -0.054671 -3.107307 0.322421
N 1.279560 1.848446 -0.360410
N 1.099712 -2.931552 0.864144
C 1.964146 0.682262 -0.060852
C 3.407429 0.595864 -0.039022
C 1.188241 -0.492707 0.242781
C 1.848520 -1.686061 0.569514
C 4.039598 -0.640157 0.314865
C 3.274757 -1.758225 0.626547
C 4.139337 1.782451 -0.370970
C -2.384576 0.059754 -0.574645
C 3.444578 2.950400 -0.687796
C -0.956049 -0.208887 -0.880131
C 2.011160 2.935768 -0.663343
C -2.853836 0.181432 0.759174
C -3.279061 0.194667 -1.667290
C -4.219409 0.440412 0.970048
C -4.642720 0.452384 -1.427004
C -5.126438 0.578137 -0.102774
H 5.133173 -0.697500 0.337106
H 3.729510 -2.709616 0.913423
H 5.234658 1.757668 -0.370703
H 3.970701 3.873802 -0.947440
H 1.447834 3.845881 -0.899141
H -2.157707 0.073522 1.593213
H -2.888541 0.094514 -2.684723
H -5.339707 0.556369 -2.264554
H -6.184858 0.777797 0.087845


