%chk=000038312.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038312

0 1
 Br   4.606200       4.169600      0.8305000    
 Br   5.878400      -3.363500     -0.6409000    
 O   -4.693500       1.920600      -2.111500    
 O   -2.990600       2.282200     -0.6501000    
 N    3.751200      0.1815000     -7.7000000E-03
 N   -1.765300     -0.7363000     -0.3098000    
 N   -2.353600     -0.1090000      0.6014000    
 C    4.296100       1.514000     -0.1225000    
 C    4.673300     -0.9356000      0.2019000    
 C    2.371100     -5.2099999E-02 -7.9899997E-02
 C    3.796700       2.391400       1.020400    
 C    4.590100      -1.917700     -0.9619000    
 C    1.798600      -1.125200      0.6123000    
 C    1.552300      0.7858000     -0.8454000    
 C   0.4250000      -1.357200      0.5401000    
 C    4.154500       1.851100       2.397900    
 C    4.910600      -1.286000      -2.309500    
 C  -0.3848000     -0.5176000     -0.2247000    
 C   0.1787000      0.5538000     -0.9173000    
 C  -0.1560000      -2.511900       1.289000    
 C   -3.739200     -0.3280000      0.5162000    
 C   -4.546800      0.5099000     -0.2486000    
 C   -4.295700      -1.399500       1.210300    
 C   -5.919800      0.2748000     -0.3198000    
 C   -5.668700      -1.634700       1.138900    
 C   -6.480800     -0.7976000      0.3740000    
 C   -3.988100       1.637200     -0.9835000    
 H    4.055800       1.954500      -1.097900    
 H    5.393800       1.486000     -0.1031000    
 H    5.703600     -0.5650000      0.2872000    
 H    4.483700      -1.427200       1.163600    
 H    2.719900       2.575700      0.9632000    
 H    3.622300      -2.424500      -1.012300    
 H    2.400100      -1.783100       1.232300    
 H    1.951300       1.620300      -1.413700    
 H    3.648100      0.9024000       2.601200    
 H    3.855000       2.551400       3.185800    
 H    5.233400       1.686300       2.496900    
 H    4.164400     -0.5357000      -2.588600    
 H    4.923200      -2.039700      -3.105000    
 H    5.892400     -0.7995000      -2.301600    
 H  -0.4416000       1.209900      -1.522100    
 H  -0.7796000      -3.126600      0.6312000    
 H  -0.7606000      -2.154500       2.128700    
 H   0.6220000      -3.168000       1.694200    
 H   -3.671400      -2.057000       1.809800    
 H   -6.581600      0.9161000     -0.8960000    
 H   -6.105600      -2.469000       1.679900    
 H   -7.550300     -0.9791000      0.3213000    
 H   -4.310700       2.680100      -2.600500    


%chk=000038312-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000038312

0 1
Br 5.111518 3.673371 2.341679
Br 5.622604 -2.815972 -2.038951
O -4.227420 -2.854568 -1.084626
O -3.299296 -1.099820 -2.287610
N 3.658359 0.273879 0.179106
N -1.991258 -0.351756 0.209664
N -2.735135 0.692368 0.496265
C 4.309528 1.555568 0.524854
C 4.527097 -0.863462 -0.190091
C 2.257888 0.142031 0.193301
C 4.395088 1.767878 2.058632
C 4.601299 -1.058572 -1.726672
C 1.625072 -1.098958 -0.137256
C 1.411329 1.252272 0.531412
C 0.227182 -1.257162 -0.129374
C 5.291719 0.777877 2.804789
C 5.292201 0.070351 -2.493854
C -0.595905 -0.134904 0.217147
C 0.023097 1.109749 0.535131
C -0.398583 -2.580183 -0.524148
C -4.132755 0.434052 0.413586
C -4.732100 -0.639230 -0.327562
C -4.962250 1.318126 1.151947
C -6.130522 -0.835090 -0.239674
C -6.355857 1.120626 1.212545
C -6.942808 0.032507 0.525442
C -3.970414 -1.485437 -1.301625
H 3.772353 2.401688 0.060817
H 5.330761 1.556815 0.107407
H 5.543997 -0.676359 0.195706
H 4.168951 -1.793250 0.286281
H 3.388287 1.813063 2.504571
H 3.604532 -1.276145 -2.143424
H 2.226615 -1.968914 -0.417522
H 1.839878 2.226272 0.784149
H 4.885340 -0.245002 2.683817
H 5.318680 1.007353 3.882608
H 6.325943 0.800603 2.418646
H 4.719977 1.008111 -2.354863
H 5.324358 -0.150468 -3.573322
H 6.326729 0.225157 -2.139939
H -0.624460 1.955505 0.787504
H -0.965026 -2.463074 -1.466505
H -1.124871 -2.923970 0.231815
H 0.370639 -3.358314 -0.668133
H -4.477316 2.137281 1.692330
H -6.581530 -1.667019 -0.790353
H -6.979987 1.805616 1.796546
H -8.024207 -0.133469 0.572177
H -3.781817 -3.373221 -1.810070


