%chk=000089823.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089823

0 1
 Br  0.6038000      -5.395200     -0.3390000    
 O   0.6574000       1.277100       1.244400    
 O   -2.902900      -1.906200     -0.3549000    
 N   -1.122800     -0.4503000      0.1111000    
 N    3.279800      0.7591000     -0.9198000    
 C  -6.5000001E-03  -1.321400      0.1515000    
 C    1.260200     -0.8223000      0.4079000    
 C  -0.2176000      -2.673000     -7.0200004E-02
 C    2.345200      -1.697900      0.4437000    
 C    1.499700      0.5959000      0.6442000    
 C   -2.467400     -0.7652000     -0.1301000    
 C   -3.391500      0.3574000     -0.1351000    
 C   0.8676000      -3.548700     -3.4400001E-02
 C    2.149000      -3.061000      0.2224000    
 C    2.742700       1.282200      0.1850000    
 C   -4.731700      0.1593000      0.1974000    
 C   -2.937800       1.632800     -0.4720000    
 C    3.211400       2.345500      0.9033000    
 C   -5.618100       1.236200      0.1929000    
 C   -3.824400       2.709800     -0.4763000    
 C   -5.164500       2.511300     -0.1439000    
 C    4.372800       2.947700      0.4324000    
 C    4.407300       1.370200      -1.347200    
 C    4.988400       2.456800     -0.7136000    
 H  -0.9011000      0.5168000      0.3225000    
 H   -1.179100      -3.117600     -0.2748000    
 H    3.351800      -1.358100      0.6717000    
 H    3.004200      -3.731000      0.2597000    
 H   -5.104800     -0.8252000      0.4680000    
 H   -1.914200       1.830600     -0.7761000    
 H    2.728300       2.717800       1.798900    
 H   -6.661400       1.082200      0.4525000    
 H   -3.473900       3.701500     -0.7472000    
 H   -5.855100       3.349500     -0.1492000    
 H    4.798400       3.797000      0.9584000    
 H    4.848800      0.9491000      -2.244500    
 H    5.894800       2.910000      -1.098400    


%chk=000089823-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000089823

0 1
Br 0.459836 -5.623480 -0.045280
O 0.535332 1.401767 -0.008864
O -3.025734 -1.970222 0.070784
N -1.172677 -0.519603 0.024487
N 4.046530 0.479064 -0.234641
C -0.097903 -1.419140 -0.015536
C 1.264126 -0.895649 -0.059161
C -0.314230 -2.827392 -0.013135
C 2.336219 -1.840522 -0.099078
C 1.520739 0.561403 -0.056610
C -2.546291 -0.792684 0.063544
C -3.447080 0.416786 0.096970
C 0.785676 -3.692017 -0.051838
C 2.119511 -3.225025 -0.095223
C 2.897087 1.215352 -0.099809
C -4.843677 0.163692 0.139833
C -2.987607 1.762473 0.087720
C 2.931125 2.634267 -0.003110
C -5.766098 1.227890 0.173074
C -3.914552 2.826722 0.121195
C -5.303842 2.565221 0.163914
C 4.171904 3.301210 -0.046263
C 5.237654 1.134069 -0.278124
C 5.354451 2.540319 -0.187852
H -0.837173 0.468364 0.023126
H -1.341296 -3.193568 0.019519
H 3.352103 -1.440671 -0.142537
H 2.960412 -3.921998 -0.126238
H -5.173824 -0.880143 0.145866
H -1.920643 2.008870 0.054170
H 1.986060 3.172093 0.100033
H -6.840696 1.018195 0.205947
H -3.551981 3.860414 0.113665
H -6.018284 3.395630 0.189563
H 4.215643 4.392576 0.028320
H 6.126530 0.503180 -0.389319
H 6.339450 3.015257 -0.227911


