%chk=000213322.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213322

0 1
Br -4.159171 -3.619501 -0.593217
O 3.057852 -3.522176 0.205089
O 2.044951 -2.757440 -1.635685
N 0.251374 1.859877 0.090306
C -1.050594 1.694477 -0.453633
C 0.620991 3.219243 -0.039941
C 1.074643 0.806060 0.611645
C -1.478054 2.942921 -0.899426
C -1.768884 0.421801 -0.475892
C -0.442141 3.888437 -0.641710
C 1.929060 3.749645 0.395980
C 1.317554 -0.336333 -0.168950
C 1.628721 0.924331 1.899962
C -2.346711 -0.021569 -1.678412
C -1.913695 -0.347008 0.691874
C 2.119333 -1.358054 0.356588
C 2.430211 -0.102715 2.401880
C 2.677705 -1.246845 1.638032
C -3.058480 -1.223013 -1.716904
C -2.623226 -1.549748 0.659847
C -3.186801 -1.973126 -0.545907
C 2.362353 -2.552448 -0.487481
H -2.426241 3.164057 -1.348798
H -0.483257 4.933018 -0.874991
H 1.899866 4.085492 1.443729
H 2.742731 3.015711 0.301530
H 2.218112 4.622855 -0.211206
H 0.886546 -0.433293 -1.172518
H 1.425739 1.811051 2.503013
H -2.235572 0.574379 -2.585180
H -1.477233 -0.000109 1.628497
H 2.861561 -0.013918 3.399923
H 3.299678 -2.056826 2.030252
H -3.502486 -1.565469 -2.652900
H -2.734160 -2.143338 1.568187
H 3.222525 -4.333028 -0.349984


%chk=000213322-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000213322

0 1
Br -4.578421 -3.528891 -0.484858
O 3.440283 -3.408937 0.194699
O 2.351109 -2.579367 -1.681460
N 0.230291 1.829812 0.101533
C -1.023346 1.642742 -0.543154
C 0.655916 3.166696 -0.082836
C 1.059695 0.792870 0.657414
C -1.374452 2.876637 -1.114959
C -1.815996 0.403329 -0.506394
C -0.333674 3.819366 -0.828346
C 1.984080 3.680938 0.397467
C 1.455502 -0.300433 -0.142424
C 1.490203 0.876085 2.004996
C -2.647395 0.080364 -1.617309
C -1.835627 -0.475233 0.614886
C 2.271267 -1.317311 0.410589
C 2.316614 -0.133135 2.547383
C 2.706611 -1.235342 1.758213
C -3.467951 -1.066001 -1.616390
C -2.642397 -1.632589 0.625652
C -3.452540 -1.916974 -0.492032
C 2.659793 -2.451522 -0.473190
H -2.314639 3.080682 -1.625294
H -0.298813 4.865429 -1.129250
H 2.045231 3.759838 1.499624
H 2.824056 3.039802 0.069452
H 2.148607 4.689496 -0.016091
H 1.137604 -0.374882 -1.186857
H 1.160190 1.717588 2.622681
H -2.634404 0.726210 -2.501669
H -1.237787 -0.247750 1.502364
H 2.644299 -0.063023 3.589670
H 3.337372 -2.029203 2.166477
H -4.095061 -1.297747 -2.481987
H -2.646078 -2.293103 1.497459
H 3.664658 -4.139045 -0.442459


