%chk=000068771.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068771

0 1
 Br   5.696300     -8.0100000E-02  -1.159600    
 O   0.1082000      -1.702100      -1.786300    
 O    1.250900      -2.196900       1.492200    
 O    1.140500      -3.674300     -0.2803000    
 N   -2.640600       1.803100      0.5710000    
 N   0.4252000     -0.2098000     -9.6000005E-03
 C   -2.463300     -0.6604000     -7.4100003E-02
 C   -1.887000      0.5312000      0.7310000    
 C   -1.472300      -1.860200      2.7700000E-02
 C  -0.4383000      0.7457000      0.4411000    
 C   -2.717500     -0.2464000      -1.541700    
 C  -8.3999997E-03  -1.557000     -0.3759000    
 C   -3.801100      -1.115300      0.5615000    
 C   -3.523800       1.048600      -1.634600    
 C   -2.866300       2.172500     -0.8343000    
 C   0.2224000       1.944200      0.5563000    
 C   -1.974400       2.899800       1.321400    
 C  -0.5038000       3.194900      0.9176000    
 C    1.686700      0.3501000     -0.1414000    
 C    1.578100       1.707500      0.2104000    
 C   -4.357600      -2.310600     -0.1713000    
 C   0.8540000      -2.612400      0.2557000    
 C    2.911900     -0.2001000     -0.5551000    
 C    2.722800       2.528200      0.1406000    
 C    4.032600      0.6340000     -0.6077000    
 C    3.941700       1.978700     -0.2657000    
 C    2.083200      -3.112700       2.210900    
 H   -1.944700      0.2635000       1.797100    
 H   -1.817200      -2.693500     -0.5951000    
 H   -1.486800      -2.220600       1.066900    
 H   -3.183700      -1.031100      -2.141900    
 H   -1.760200     -5.3599998E-02  -2.040900    
 H   -4.544000     -0.3108000      0.5677000    
 H   -3.646500      -1.387200       1.613800    
 H   -3.596300       1.352300      -2.685800    
 H   -4.551700      0.8898000      -1.290400    
 H   -1.933000       2.455300      -1.336000    
 H   -3.523800       3.049500     -0.8750000    
 H   -1.993600       2.630800       2.386500    
 H   -2.565800       3.820900       1.247300    
 H   6.0999999E-03   3.707300       1.740900    
 H  -0.4940000       3.868500      5.2000001E-02
 H   -4.607400      -2.118000      -1.216000    
 H   -3.731400      -3.202800     -0.1046000    
 H   -5.305900      -2.590900      0.3049000    
 H  -0.2254000      -2.580100      -2.037400    
 H    2.984400      -1.245700     -0.8378000    
 H    2.664600       3.581900      0.3997000    
 H    4.815300       2.624800     -0.3114000    
 H    2.327000      -2.663400       3.177200    
 H    3.012600      -3.289700       1.661400    
 H    1.550500      -4.052500       2.384200    


%chk=000068771-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000068771

0 1
Br 5.699304 0.014430 -1.477662
O 0.079832 -1.795037 -1.783121
O 0.964935 -2.591504 1.677214
O 1.752623 -3.348780 -0.374664
N -2.662562 1.806742 0.545801
N 0.434428 -0.222304 0.009033
C -2.463938 -0.684624 -0.043955
C -1.912369 0.529467 0.767340
C -1.439483 -1.845436 0.154405
C -0.451537 0.766545 0.478783
C -2.627308 -0.277678 -1.535237
C 0.012311 -1.585723 -0.340859
C -3.821177 -1.114418 0.603606
C -3.470065 1.009803 -1.676698
C -2.813722 2.162505 -0.892859
C 0.193464 1.991556 0.572407
C -2.035024 2.897170 1.347549
C -0.553990 3.248858 0.951543
C 1.687493 0.384212 -0.215792
C 1.561117 1.778970 0.138521
C -4.634250 -2.180099 -0.160953
C 1.001806 -2.607150 0.307902
C 2.895418 -0.161497 -0.702712
C 2.689814 2.626111 0.007476
C 3.984635 0.722286 -0.810348
C 3.907546 2.097148 -0.466927
C 1.934373 -3.484389 2.371971
H -2.039134 0.283574 1.844994
H -1.782304 -2.747609 -0.381487
H -1.396440 -2.082197 1.234716
H -3.078731 -1.111533 -2.103060
H -1.631496 -0.111705 -1.985315
H -4.436316 -0.205251 0.738823
H -3.605910 -1.490902 1.625855
H -3.542964 1.295517 -2.743360
H -4.500939 0.851337 -1.307148
H -1.834068 2.400626 -1.374484
H -3.439959 3.073655 -0.942276
H -2.056148 2.575217 2.406476
H -2.667069 3.800300 1.261245
H -0.075559 3.770435 1.804374
H -0.539699 3.965247 0.104428
H -4.992804 -1.801491 -1.134933
H -4.047790 -3.098037 -0.352531
H -5.524253 -2.473965 0.425436
H 0.858466 -2.391449 -1.971026
H 2.996841 -1.208949 -0.994461
H 2.624895 3.687495 0.269710
H 4.788508 2.735786 -0.574728
H 1.712764 -3.354037 3.439327
H 2.962658 -3.166660 2.134434
H 1.782980 -4.527666 2.050331


