%chk=000063764.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063764

0 1
 Br  -4.185400       2.806700     -9.8700002E-02
 Br  -5.297200      -2.745000     -2.9100001E-02
 O   7.1599998E-02  -2.038100      0.1599000    
 N   0.5471000      0.2688000      0.1931000    
 N   -1.259400       1.814900      0.1104000    
 C    1.964300      3.1300001E-02  0.1646000    
 C    2.641400     -5.6000002E-02  -1.046100    
 C   1.0100000E-02   1.558400      0.1907000    
 C   -1.742400     -0.5810000      0.1177000    
 C  -0.2931000     -0.8648000      0.1789000    
 C   -2.162100      0.7480000      6.1099999E-02
 C    2.644300     -0.1091000       1.369100    
 C    4.016900     -0.2870000      -1.052900    
 C    4.706300     -0.4288000      0.1515000    
 C    4.020000     -0.3399000       1.362500    
 C    1.928600      9.2000000E-02  -2.351200    
 C   -2.673400      -1.626100      9.0999998E-02
 C   0.9171000       2.761900      0.3467000    
 C   -3.532000       1.022900     -2.2399999E-02
 C   -4.035000      -1.338600      8.2000000E-03
 C    6.177000     -0.6757000      0.1447000    
 C   -4.464700     -1.5000000E-02 -4.9600001E-02
 H    2.118500     -4.1600000E-02   2.317800    
 H    4.556800     -0.3592000      -1.994200    
 H    4.545000     -0.4505000       2.307600    
 H    2.612600     -5.5999998E-03  -3.201400    
 H    1.163500     -0.6832000      -2.462200    
 H    1.459200       1.077900      -2.426800    
 H   -2.342400      -2.660900      0.1319000    
 H    1.452900       2.697700       1.297700    
 H   0.3368000       3.689100      0.3318000    
 H    1.644300       2.791700     -0.4690000    
 H   -5.527700      0.2071000     -0.1146000    
 H    6.377300      -1.749000      6.8800002E-02
 H    6.657400     -0.1673000     -0.6982000    
 H    6.647800     -0.2958000       1.057800    


%chk=000063764-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000063764

0 1
Br -4.283321 2.870272 0.455692
Br -5.388566 -2.765485 -0.209670
O 0.148461 -2.005077 -0.222111
N 0.514642 0.295916 0.100806
N -1.303221 1.868864 0.273577
C 1.956840 0.061515 0.114828
C 2.659572 -0.125817 -1.104502
C -0.004043 1.603251 0.237543
C -1.782665 -0.546498 0.002949
C -0.336545 -0.850782 -0.055046
C -2.210822 0.811285 0.172006
C 2.622109 0.018551 1.356675
C 4.058084 -0.333524 -1.026319
C 4.754960 -0.373835 0.208125
C 4.014989 -0.193205 1.404175
C 1.940009 -0.127654 -2.438122
C -2.708752 -1.613313 -0.112035
C 0.971575 2.749815 0.336366
C -3.618871 1.053298 0.225439
C -4.075588 -1.321540 -0.054064
C 6.249988 -0.635967 0.247707
C -4.547087 0.006216 0.115104
H 2.045446 0.140477 2.280237
H 4.618710 -0.476273 -1.958756
H 4.527462 -0.225646 2.372416
H 2.656488 -0.135804 -3.276181
H 1.300838 -1.026026 -2.525801
H 1.281921 0.753079 -2.558527
H -2.325642 -2.629266 -0.240725
H 1.557809 2.706344 1.271493
H 0.395267 3.685474 0.317496
H 1.697347 2.739605 -0.496090
H -5.619028 0.213169 0.158460
H 6.458771 -1.723336 0.258821
H 6.760673 -0.214356 -0.635865
H 6.714191 -0.203526 1.150999


