%chk=000057801.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057801

0 1
 Br  0.8068000       3.638800      0.3088000    
 O   -1.613300     -0.8728000      0.1725000    
 O    3.197100       1.687000      0.5687000    
 N    4.337500     -0.5953000     -0.2437000    
 C    3.292600      -1.125500      0.6312000    
 C    2.006900     -0.3732000      0.4976000    
 C    3.922400     -0.6773000      -1.643700    
 C    5.591600      -1.319600     -3.9200000E-02
 C  -0.3554000     -0.3592000      0.2785000    
 C  -0.3993000       1.030800      0.2471000    
 C   0.8176000      -1.101700      0.4015000    
 C    2.005200       1.023800      0.4709000    
 C   0.8086000       1.743000      0.3457000    
 C   -1.771200       1.370700      0.1131000    
 C   -2.463000      0.1823000      7.2400004E-02
 C    4.997100     -0.1303000      -2.567900    
 C    6.070300      -1.193700       1.397200    
 C   -3.852500     -0.1574000     -4.9699999E-02
 C   -4.722900      0.6806000     -0.7539000    
 C   -4.346100      -1.327700      0.5352000    
 C   -6.073200      0.3513000     -0.8723000    
 C   -5.696500      -1.656900      0.4170000    
 C   -6.560200     -0.8176000     -0.2871000    
 H    3.562900      -1.040200       1.689900    
 H    3.136800      -2.194600      0.4311000    
 H    3.688400      -1.709500      -1.935800    
 H    3.024100     -8.0799997E-02  -1.833500    
 H    5.504400      -2.379200     -0.3105000    
 H    6.394200     -0.8887000     -0.6460000    
 H   0.7953000      -2.185300      0.4216000    
 H   -2.199900       2.361900      5.6100000E-02
 H    5.372600      0.8404000      -2.226100    
 H    5.838600     -0.8192000      -2.689300    
 H    4.575300      1.9700000E-02  -3.568400    
 H    6.039600     -0.1561000       1.747200    
 H    5.496200      -1.819700       2.087000    
 H    7.111100      -1.529700       1.467200    
 H    3.912400       1.087200      0.8310000    
 H   -4.367400       1.595000      -1.223200    
 H   -3.698300      -1.997300       1.096300    
 H   -6.745600       1.004400      -1.421000    
 H   -6.076200      -2.565900      0.8743000    
 H   -7.611600      -1.073900     -0.3791000    


%chk=000057801-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000057801

0 1
Br 0.928809 3.460787 0.090534
O -1.738521 -1.044078 0.127597
O 3.274624 1.398087 0.248435
N 4.429688 -0.812056 -0.252982
C 3.284032 -1.445387 0.497944
C 1.983006 -0.677834 0.295787
C 4.306785 -1.043418 -1.734314
C 5.761513 -1.230589 0.293865
C -0.410215 -0.572227 0.177333
C -0.402365 0.854088 0.139492
C 0.746494 -1.355232 0.250688
C 2.045794 0.767695 0.236755
C 0.847017 1.517016 0.165601
C -1.786420 1.265479 0.065311
C -2.568549 0.115729 0.058858
C 5.077563 -0.003147 -2.565530
C 6.124753 -0.514635 1.608021
C -4.009465 -0.118187 -0.003772
C -4.915249 0.978561 -0.069622
C -4.532589 -1.442104 -0.001099
C -6.304334 0.754758 -0.131341
C -5.924062 -1.659601 -0.062922
C -6.817681 -0.564910 -0.128455
H 3.558319 -1.423960 1.570108
H 3.161578 -2.510984 0.207279
H 4.641590 -2.075517 -1.981876
H 3.231703 -0.978319 -1.980803
H 5.780561 -2.335443 0.433537
H 6.521979 -0.989459 -0.468889
H 0.695163 -2.447908 0.285310
H -2.144374 2.291245 0.020243
H 4.721783 1.016233 -2.335159
H 6.166956 -0.041109 -2.385095
H 4.913746 -0.190237 -3.642067
H 6.134446 0.580211 1.468463
H 5.416179 -0.745524 2.423007
H 7.129138 -0.831948 1.942017
H 3.994495 0.616129 0.047241
H -4.531069 2.004518 -0.072437
H -3.839273 -2.286819 0.049550
H -6.989119 1.608494 -0.181553
H -6.312773 -2.683982 -0.059922
H -7.898660 -0.735814 -0.176436


