%chk=000013929.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013929

0 1
 Br   6.413400       1.301100     -0.2728000    
 O   -1.600700      -2.138700     -0.6578000    
 N   0.8787000      -1.020900      0.2919000    
 N    3.244800      -1.301700      0.3223000    
 C   -1.604000      -1.080700      0.3100000    
 C  -0.3351000     -0.2224000      0.1370000    
 C   -2.852400     -0.2803000      0.1510000    
 C   -3.434800      0.3314000       1.261200    
 C   -3.437500     -0.1429000      -1.107800    
 C    2.144700     -0.4971000      0.1634000    
 C   -4.602200       1.080000       1.112800    
 C   -4.604900      0.6060000      -1.256200    
 C   -5.187300       1.217500     -0.1458000    
 C    2.283000      0.8696000     -0.1308000    
 C    3.555600       1.413900     -0.2628000    
 C    4.465600     -0.7370000      0.1867000    
 C    4.673000      0.6021000     -0.1024000    
 H   -1.585300      -1.566500       1.293600    
 H  -0.3482000      0.5894000      0.8748000    
 H  -0.3458000      0.2163000     -0.8693000    
 H   0.7974000      -2.008300      0.5039000    
 H   -2.987400      0.2334000       2.246800    
 H   -2.998100     -0.5959000      -1.992300    
 H   -2.385000      -2.690900     -0.4955000    
 H   -5.055300       1.556800       1.977100    
 H   -5.058900      0.7161000      -2.236700    
 H   -6.095700       1.801400     -0.2616000    
 H    1.436400       1.535400     -0.2620000    
 H    3.661000       2.471400     -0.4903000    
 H    5.295100      -1.424000      0.3238000    


%chk=000013929-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000013929

0 1
Br 6.659551 1.050787 0.074874
O -1.494845 -2.244971 -0.344029
N 0.863213 -0.910261 0.014586
N 3.155961 -1.309501 0.061860
C -1.558402 -0.968312 0.403355
C -0.371132 -0.146800 -0.138819
C -2.887954 -0.251551 0.215509
C -3.536291 0.355528 1.318950
C -3.482726 -0.168457 -1.070050
C 2.138722 -0.381503 -0.002039
C -4.756740 1.046320 1.142243
C -4.704183 0.517448 -1.246584
C -5.343028 1.129333 -0.141741
C 2.407453 1.022934 -0.071870
C 3.745281 1.457950 -0.045831
C 4.441680 -0.874499 0.080470
C 4.776354 0.496260 0.036741
H -1.384629 -1.162900 1.483652
H -0.316322 0.797385 0.434492
H -0.572659 0.114057 -1.200624
H 0.788719 -1.927254 -0.078690
H -3.087960 0.286091 2.318365
H -2.990986 -0.656229 -1.919373
H -2.253751 -2.819123 -0.071409
H -5.250934 1.511629 2.002268
H -5.159157 0.575099 -2.241774
H -6.291242 1.660735 -0.279468
H 1.599363 1.754638 -0.155853
H 3.979139 2.525599 -0.096647
H 5.217606 -1.645933 0.129635


