%chk=000036933.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036933

0 1
 Br  -4.609800      -2.504500      0.2546000    
 N   0.7214000      -1.396900      0.6047000    
 N  -0.9991000       2.327700     -0.2716000    
 C   0.9561000      0.9835000      0.1909000    
 C    2.447600      0.8461000      0.3268000    
 C    3.159200       2.184500      0.5214000    
 C    2.633700       3.218400     -0.4677000    
 C    1.145100       3.465500     -0.2334000    
 C   0.3433000       2.196100     -0.1156000    
 C   0.1351000     -0.1382000      0.3075000    
 C   -1.251200     -2.8300000E-02  0.1438000    
 C    2.100900      -1.673100      0.3789000    
 C   -1.783100       1.241300     -0.1480000    
 C    2.340500      -3.145800      1.8300001E-02
 C   -2.098800      -1.143200      0.2628000    
 C   -3.161400       1.353500     -0.3097000    
 C    1.570700      -3.563300      -1.235800    
 C    3.828600      -3.466100     -0.1326000    
 C   -3.473500      -1.004000      9.5500000E-02
 C   -4.005300      0.2468000     -0.1907000    
 H    2.734100      0.3374000       1.243500    
 H    2.893700      0.4854000     -0.6019000    
 H    2.997700       2.551700       1.543700    
 H    4.240800       2.055600      0.3974000    
 H    2.798300       2.865000      -1.493500    
 H    3.184600       4.159300     -0.3591000    
 H   0.7472000       4.077800      -1.050800    
 H    1.012300       4.033700      0.6957000    
 H   0.1476000      -2.119700       1.018000    
 H    2.704500      -1.499200       1.272800    
 H    2.473000      -1.223800     -0.5356000    
 H    1.960500      -3.761400      0.8455000    
 H   -1.715600      -2.137300      0.4734000    
 H   -3.602000       2.322900     -0.5355000    
 H    1.751600      -4.618900      -1.466500    
 H    1.878000      -2.973100      -2.105800    
 H   0.4909000      -3.439700      -1.105400    
 H    3.979400      -4.531600     -0.3360000    
 H    4.274600      -2.897500     -0.9556000    
 H    4.374400      -3.220600      0.7843000    
 H   -5.075200      0.3830000     -0.3261000    


%chk=000036933-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000036933

0 1
Br -4.361259 -2.776939 0.390276
N 1.009463 -1.289928 0.821469
N -0.951355 2.297573 -0.448730
C 1.112798 1.103522 0.194001
C 2.591940 1.214745 0.561682
C 3.050589 2.672058 0.783107
C 2.626470 3.536135 -0.422175
C 1.087696 3.598680 -0.497484
C 0.389651 2.263828 -0.256892
C 0.393852 -0.105965 0.395812
C -1.047930 -0.100381 0.194496
C 2.289029 -1.847295 0.333657
C -1.668606 1.141435 -0.207072
C 2.145837 -3.343315 -0.058139
C -1.871485 -1.261877 0.356666
C -3.089813 1.188171 -0.381231
C 1.247972 -3.525722 -1.303833
C 3.544494 -3.963336 -0.282293
C -3.250008 -1.166358 0.172994
C -3.884941 0.056310 -0.189480
H 2.776801 0.607717 1.469182
H 3.229807 0.780126 -0.235232
H 2.594904 3.080475 1.707381
H 4.148131 2.695564 0.921943
H 3.039166 3.091384 -1.350241
H 3.039517 4.559154 -0.344270
H 0.743126 3.990185 -1.472405
H 0.704547 4.310428 0.261105
H 0.399052 -1.978688 1.264050
H 3.087725 -1.751574 1.098249
H 2.608795 -1.277912 -0.557112
H 1.673705 -3.872019 0.800221
H -1.438270 -2.236359 0.602750
H -3.527792 2.147307 -0.673297
H 1.062875 -4.596432 -1.505555
H 1.736562 -3.093282 -2.198020
H 0.268837 -3.027334 -1.183627
H 3.461343 -5.030786 -0.555011
H 4.074128 -3.447999 -1.106590
H 4.172497 -3.890591 0.625208
H -4.969454 0.098296 -0.322957


