%chk=000132085.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000132085

0 1
 Br   4.159000       3.451800       2.547200    
 Br   1.021100      -3.529000       2.108800    
 O    3.158300      0.9770000     -0.4872000    
 O    5.445600      -1.241800       1.345700    
 O    4.938600     -0.5145000      -3.336600    
 O    5.273500      -2.467900      -1.240700    
 O    2.440000       2.821000      -2.383400    
 O   -5.850000       2.932000      -1.020600    
 O   -7.685700      -1.470200      -1.328300    
 N  -0.6500000       2.028900      0.9447000    
 N   -3.501800       1.710700     -7.8699999E-02
 N   -1.542500      -3.768500       1.108700    
 C    4.039100      0.5794000      0.5668000    
 C    3.290000      0.7817000       1.880100    
 C    4.476300     -0.8758000      0.3671000    
 C    5.100500      -1.067300      -1.015300    
 C    4.206900     -0.4896000      -2.114100    
 C    3.785200      0.9431000      -1.772000    
 C    2.109900     -0.2383000       1.976300    
 C   0.8080000      0.3237000       1.528200    
 C    2.848300       2.234900       1.999800    
 C  -0.4281000     -0.2970000       1.157100    
 C   0.5987000       1.646400       1.393100    
 C    2.784000       1.504800      -2.776600    
 C    1.587000       2.624600       1.748300    
 C   -1.278400      0.8966000      0.7820000    
 C  -0.9699000      -1.517300       1.091100    
 C   -2.656800      0.6844000      0.3033000    
 C   -3.156100     -0.5675000      0.2218000    
 C   -2.338700      -1.675500      0.6119000    
 C   -4.491200     -0.3834000     -0.2699000    
 C    5.315900      -1.837400      -3.687600    
 C  -0.5867000      -2.916400       1.386300    
 C   -4.590800       1.074600     -0.4186000    
 C   -2.587200      -2.991900      0.6425000    
 C   -5.487500      -1.212200     -0.5625000    
 C   -5.828000       1.715300     -0.9117000    
 C   -6.978200      0.8101000      -1.243200    
 C   -6.778700     -0.6794000      -1.063600    
 H    4.925400       1.228700      0.5558000    
 H    3.967000      0.5517000       2.713800    
 H    3.675400      -1.611500      0.4111000    
 H    6.103100     -0.6240000      -1.051300    
 H    3.307600      -1.111700      -2.225800    
 H    4.656600       1.611600      -1.752800    
 H    1.995400     -0.5089000       3.035400    
 H    2.279700      -1.165700       1.454400    
 H    1.863700      0.9117000      -2.799000    
 H    3.203900       1.542800      -3.785800    
 H    1.279500       3.661700       1.832200    
 H    4.986700      -1.328400       2.197900    
 H    4.402700      -2.896800      -1.180500    
 H    4.522700      -2.572200      -3.515600    
 H    6.276700      -2.112000      -3.243600    
 H    5.492600      -1.832200      -4.769200    
 H    2.070300       2.772200      -1.485100    
 H   -3.510000      -3.474200      0.3546000    
 H   -5.403200      -2.286200     -0.4503000    
 H   -7.233500      0.9799000      -2.294800    
 H   -7.819200       1.105300     -0.6065000    


%chk=000132085-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000132085

0 1
Br 4.398372 3.488447 2.684632
Br 1.200483 -3.548894 1.683744
O 2.899982 0.719253 -0.347754
O 5.534210 -1.048701 1.559650
O 4.818801 -0.447485 -3.302494
O 5.701516 -2.383733 -0.996539
O 1.715344 2.318551 -2.413195
O -6.090498 3.025843 -0.726952
O -7.734561 -1.406133 -1.279249
N -0.548030 2.257057 1.036284
N -3.446278 1.840177 -0.016447
N -1.499547 -3.781209 0.821863
C 3.934796 0.557334 0.678814
C 3.304212 0.816333 2.077432
C 4.526255 -0.856167 0.521300
C 5.148643 -1.012951 -0.884188
C 4.157733 -0.648144 -2.015505
C 3.465689 0.709642 -1.718211
C 2.061629 -0.085730 2.368571
C 0.819779 0.408521 1.689764
C 2.942489 2.283036 2.202739
C -0.361333 -0.155136 1.213177
C 0.650540 1.887239 1.543851
C 2.285744 0.997284 -2.652289
C 1.701108 2.799307 1.917400
C -1.209544 1.030022 0.830195
C -0.914370 -1.485497 1.029104
C -2.506401 0.848511 0.359899
C -3.061445 -0.510895 0.212503
C -2.302320 -1.623624 0.531626
C -4.422318 -0.302087 -0.312555
C 5.202130 -1.677757 -4.011707
C -0.497597 -2.817924 1.163217
C -4.547696 1.178254 -0.411686
C -2.568339 -3.068728 0.450079
C -5.446398 -1.166053 -0.624021
C -5.817701 1.805819 -0.867585
C -6.799247 0.835715 -1.544750
C -6.731992 -0.643136 -1.143926
H 4.749338 1.298439 0.521255
H 4.097500 0.558891 2.802995
H 3.710504 -1.608204 0.623086
H 6.042354 -0.368232 -0.966267
H 3.380949 -1.449694 -2.094520
H 4.218702 1.521519 -1.805089
H 1.890709 -0.056153 3.465856
H 2.289595 -1.133905 2.129091
H 1.523261 0.196448 -2.530651
H 2.643213 1.005045 -3.693073
H 1.486661 3.871225 1.935722
H 6.104195 -1.814899 1.284299
H 4.948680 -3.028163 -1.068152
H 4.333631 -2.363238 -4.110440
H 6.028963 -2.199792 -3.497842
H 5.523472 -1.349631 -5.012510
H 1.387179 2.358677 -1.477746
H -3.486286 -3.564074 0.132721
H -5.383737 -2.250479 -0.485347
H -6.578181 0.875813 -2.634409
H -7.831842 1.205943 -1.430672


