%chk=000104088.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104088

0 1
 Br   4.457500       3.234400      -1.064300    
 F   -2.357900       2.726900      -1.597200    
 O   3.4200002E-02   1.972100     -0.8211000    
 O    4.464000      0.3236000      0.7596000    
 O   0.2466000      -4.955400     -0.2557000    
 O   -1.630100      -3.888900     -0.6553000    
 N    2.254900      0.9969000      0.3072000    
 N  -0.4055000      -3.890700     -0.3813000    
 C   0.2348000     -0.2654000     -0.1699000    
 C    1.576600     -0.2124000      0.1317000    
 C  -0.5483000      0.9979000     -0.3221000    
 C  -0.4412000      -1.453500     -0.3433000    
 C   -1.938900       1.107400      8.9900002E-02
 C    2.280300      -1.409100      0.2675000    
 C   0.2626000      -2.650000     -0.2077000    
 C    1.623400      -2.627800      9.7900003E-02
 C   -2.800100       1.980500     -0.5746000    
 C   -2.410800      0.3364000       1.152300    
 C    3.608700       1.191900      0.6075000    
 C   -4.133000       2.082800     -0.1766000    
 C   -3.743700      0.4386000       1.550300    
 C   -4.604800       1.311900      0.8858000    
 C    3.970600       2.651800      0.7195000    
 H   -1.489200      -1.466100     -0.6274000    
 H    3.331600      -1.482300      0.5046000    
 H    2.202500      -3.540900      0.2115000    
 H    1.694400       1.838500      0.2050000    
 H   -1.762400     -0.3228000       1.722500    
 H   -4.803200       2.763200     -0.6936000    
 H   -4.109100     -0.1543000       2.383700    
 H   -5.642100       1.393200       1.197100    
 H    3.136400       3.266200       1.064600    
 H    4.835300       2.787400       1.372600    


%chk=000104088-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104088

0 1
Br 4.000638 3.550427 -1.230469
F -2.221804 2.614747 -1.611471
O 0.109604 2.217915 0.073583
O 4.623340 0.282708 0.692361
O 0.206577 -4.991020 -0.403875
O -1.744125 -3.811902 -0.544122
N 2.398437 0.990732 0.324904
N -0.462634 -3.886126 -0.387310
C 0.270307 -0.195613 0.065407
C 1.716102 -0.226592 0.199939
C -0.491019 1.086394 0.111778
C -0.418615 -1.415434 -0.142279
C -1.985887 1.071644 0.252242
C 2.396687 -1.481091 0.189772
C 0.284294 -2.629711 -0.169877
C 1.687389 -2.674497 0.006402
C -2.804432 1.896379 -0.557444
C -2.628509 0.332445 1.283674
C 3.766409 1.198045 0.531915
C -4.193445 1.998183 -0.385416
C -4.020470 0.428460 1.488758
C -4.803009 1.259624 0.653198
C 4.170056 2.668379 0.588099
H -1.499513 -1.429782 -0.300493
H 3.479920 -1.488806 0.318081
H 2.199829 -3.640062 -0.015403
H 1.768850 1.819149 0.200112
H -2.023975 -0.298516 1.943631
H -4.772978 2.638874 -1.055909
H -4.491226 -0.142022 2.294986
H -5.884677 1.332041 0.804608
H 3.532349 3.264845 1.259472
H 5.229631 2.742186 0.861843


