%chk=000005655.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005655

0 1
 Br  -5.875200       2.537200     -4.2300001E-02
 O   0.2763000      -2.109900     -1.2100000E-02
 N    2.003600      0.6720000      0.8809000    
 N   -2.081800      -2.145400      0.1244000    
 C    3.324700      0.4541000      0.6076000    
 C    3.466000      0.2828000     -0.7552000    
 C    4.409700      0.3824000       1.620800    
 C    4.786700      3.9700001E-02  -1.397600    
 C    5.779500      0.4708000      0.9210000    
 C    5.839200     -0.3897000     -0.3563000    
 C    2.176700      0.4094000      -1.326600    
 C    1.293200      0.6475000     -0.2938000    
 C  -9.4099998E-02  0.8518000     -0.2316000    
 C   -1.088000     -9.5799997E-02 -9.8200001E-02
 C   -2.531600      0.1044000     -3.2499999E-02
 C   -3.086600      -1.171700      0.1024000    
 C  -0.8135000      -1.568200      5.5999998E-03
 C   -3.340200       1.224200     -7.8199998E-02
 C   -4.448700      -1.379400      0.1961000    
 C   -4.723500       1.036600      1.4900000E-02
 C   -5.272200     -0.2527000      0.1507000    
 H    4.315600       1.188300       2.356600    
 H    4.335000     -0.5707000       2.157600    
 H    4.701500     -0.7292000      -2.173400    
 H    5.116700      0.9649000      -1.885500    
 H    5.984700       1.515400      0.6528000    
 H    6.565700      0.1602000       1.618500    
 H    5.674600      -1.440100     -8.3499998E-02
 H    6.838500     -0.3278000     -0.8019000    
 H    1.615000      0.8222000       1.802600    
 H    1.920200      0.3358000      -2.374800    
 H  -0.4108000       1.891500     -0.2988000    
 H   -2.265900      -3.137600      0.2153000    
 H   -2.912800       2.216100     -0.1830000    
 H   -4.869800      -2.372800      0.3004000    
 H   -6.349100     -0.3882000      0.2223000    


%chk=000005655-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005655

0 1
Br -5.797499 1.736641 -2.175102
O 0.095844 -1.610764 1.812233
N 2.009889 -0.345996 0.490143
N -2.257094 -1.531733 1.620960
C 3.358443 -0.147357 0.330846
C 3.564072 0.800995 -0.716827
C 4.445279 -0.831246 1.112808
C 4.949239 1.245592 -1.130664
C 5.790677 -0.084909 0.897278
C 6.021572 0.256217 -0.597316
C 2.284466 1.174210 -1.190590
C 1.304049 0.452190 -0.433721
C -0.109532 0.509617 -0.558422
C -1.116674 -0.160113 0.143448
C -2.560619 -0.017362 -0.078583
C -3.237253 -0.876197 0.847002
C -0.959469 -1.144200 1.246226
C -3.317398 0.762331 -0.980337
C -4.636316 -0.975262 0.893531
C -4.722961 0.656923 -0.926520
C -5.391528 -0.190165 -0.014410
H 4.191508 -0.876649 2.189808
H 4.547114 -1.883081 0.772723
H 5.021643 1.329536 -2.231943
H 5.157405 2.258234 -0.727320
H 5.789576 0.852991 1.487135
H 6.620560 -0.708050 1.279560
H 5.989676 -0.679382 -1.191052
H 7.029383 0.691882 -0.733201
H 1.486835 -0.967126 1.161596
H 2.058033 1.879878 -1.990559
H -0.450440 1.200078 -1.342669
H -2.429906 -2.205623 2.365373
H -2.838837 1.430513 -1.701990
H -5.146883 -1.633956 1.603353
H -6.483555 -0.240555 -0.007599


