%chk=000063592.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063592

0 1
 Br   2.860100      -3.290700      0.9489000    
 Br   6.348100      0.8229000     -0.7755000    
 O   -3.060500      -4.108800      -1.055400    
 O    1.285100       2.750800     -0.6884000    
 N   -1.729200      -2.128500      0.4960000    
 N  -0.1700000       1.067800      8.5900001E-02
 N   0.7302000      -1.064900      0.6354000    
 C   -1.602900     -0.7787000       1.042000    
 C   -1.699400      -2.102000     -0.9730000    
 C   -2.967800      -2.766400      0.9631000    
 C  -0.2731000     -0.2465000      0.5479000    
 C   -1.845500      -3.519200      -1.519700    
 C   -3.083000      -4.168200      0.3713000    
 C   -1.324000       1.902600     -0.1067000    
 C    1.083500       1.618400     -0.2556000    
 C    2.235900      0.7015000     -0.1299000    
 C    2.005600     -0.6093000      0.2871000    
 C   -1.772200       2.734100      0.9132000    
 C   -1.982700       1.863200      -1.330500    
 C    3.529000       1.133400     -0.4480000    
 C    3.089500      -1.489900      0.3840000    
 C   -2.894000       3.537000      0.7067000    
 C   -1.078400       2.791000       2.235500    
 C   -3.104500       2.666000      -1.536900    
 C    4.599800      0.2465000     -0.3468000    
 C    4.380600      -1.065000      6.7900002E-02
 C   -3.560200       3.502900     -0.5183000    
 H   -2.453900     -0.1534000      0.7649000    
 H   -1.549700     -0.8156000       2.136800    
 H  -0.7676000      -1.698100      -1.380100    
 H   -2.523900      -1.484200      -1.353800    
 H   -3.839800      -2.171200      0.6621000    
 H   -2.967800      -2.840300       2.056500    
 H   -1.886400      -3.494600      -2.613400    
 H  -0.9971000      -4.152800      -1.233400    
 H   -2.276900      -4.823600      0.7232000    
 H   -4.033100      -4.622100      0.6704000    
 H   -1.636000       1.214000      -2.130100    
 H    3.704400       2.155100     -0.7759000    
 H   -3.262800       4.194800       1.489200    
 H   -1.569600       3.489000       2.922400    
 H   -1.082600       1.808200       2.717200    
 H  -4.4900000E-02   3.130500       2.113700    
 H   -3.623400       2.639100      -2.490600    
 H    5.217700      -1.755600      0.1459000    
 H   -4.433800       4.127800     -0.6792000    


%chk=000063592-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000063592

0 1
Br 3.228888 -3.140943 1.467950
Br 6.519067 1.068530 -0.745256
O -3.485910 -4.018980 -1.106192
O 1.190381 2.743319 -0.775283
N -1.842147 -2.143133 0.364723
N -0.089789 0.956493 0.067184
N 0.934929 -1.072143 0.864095
C -1.490202 -0.899620 1.083836
C -2.124345 -1.943885 -1.078018
C -2.946917 -2.878126 1.030824
C -0.141463 -0.333341 0.645978
C -2.370171 -3.305086 -1.748993
C -3.178056 -4.221541 0.319708
C -1.287967 1.770007 -0.148418
C 1.158853 1.571736 -0.305518
C 2.347080 0.720280 -0.090894
C 2.185139 -0.580260 0.490741
C -1.719046 2.660923 0.870313
C -1.951075 1.684012 -1.389330
C 3.620401 1.221549 -0.459425
C 3.366226 -1.363212 0.686882
C -2.874583 3.438404 0.609051
C -0.958454 2.794882 2.174433
C -3.096031 2.472630 -1.629800
C 4.743086 0.414581 -0.247822
C 4.632954 -0.879993 0.324216
C -3.561706 3.347542 -0.622477
H -2.279810 -0.117661 0.997766
H -1.386748 -1.159679 2.153801
H -1.248342 -1.462760 -1.553786
H -3.015180 -1.285543 -1.239331
H -3.901756 -2.292736 1.022228
H -2.667522 -3.065195 2.085268
H -2.666865 -3.180901 -2.803613
H -1.446728 -3.919536 -1.686940
H -2.270505 -4.854202 0.420582
H -4.050451 -4.748593 0.739818
H -1.560355 1.016224 -2.163920
H 3.684921 2.221596 -0.896471
H -3.231049 4.131121 1.380199
H -1.477192 3.479640 2.865395
H -0.834681 1.823261 2.688392
H 0.055336 3.198656 1.994206
H -3.612587 2.408634 -2.592930
H 5.522741 -1.494528 0.480860
H -4.449571 3.964574 -0.798032


