%chk=000278996.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000278996

0 1
Br 0.662783 4.415804 -1.215568
O 0.891977 0.078361 2.971294
O 6.154482 -0.493226 -0.108560
O -6.557059 0.083814 -0.590990
N 0.723172 -1.762567 0.392710
N -1.022699 -0.686656 -0.948148
C -0.302447 -0.652090 0.390080
C 0.253817 -2.743971 -0.645361
C -0.580894 -1.933580 -1.659630
C 0.264125 0.717536 0.685719
C 2.109328 -1.365818 0.167036
C -2.468731 -0.584775 -0.799708
C 0.796891 1.000467 1.963853
C 0.240543 1.753373 -0.256442
C 2.533377 -0.564801 -0.902630
C -3.264585 -1.580889 -0.217219
C 3.043545 -1.856101 1.103437
C -3.057615 0.600997 -1.289124
C 1.257640 2.283732 2.313803
C 0.708661 3.021830 0.089852
C 3.883199 -0.234348 -1.046021
C -4.649172 -1.413400 -0.119109
C 4.389209 -1.540122 0.973071
C -4.430206 0.783405 -1.197899
C 1.209528 3.301688 1.366846
C 4.796561 -0.724490 -0.104583
C -5.216558 -0.231866 -0.610620
C 6.690160 0.370661 -1.139751
C -7.468883 -0.869587 0.005142
H -1.018453 -0.916513 1.225772
H -0.361428 -3.506583 -0.124158
H 1.097934 -3.277396 -1.121266
H 0.038929 -1.604303 -2.521577
H -1.424550 -2.515263 -2.074389
H -0.150726 1.557894 -1.261678
H 1.804419 -0.185058 -1.621353
H -2.808988 -2.494353 0.163958
H 2.705951 -2.484697 1.928455
H -2.426993 1.371380 -1.737884
H 1.648223 2.452981 3.316080
H 4.198999 0.395843 -1.870810
H -5.256221 -2.190217 0.332800
H 5.132035 -1.899659 1.682004
H -4.912115 1.687854 -1.564833
H 1.563833 4.302280 1.621501
H 0.760333 -0.857389 2.653526
H 6.253141 1.370712 -1.063770
H 6.530516 -0.071884 -2.126835
H 7.757780 0.388317 -0.884122
H -7.453713 -1.810392 -0.551995
H -8.433910 -0.358735 -0.112652
H -7.230346 -1.014899 1.062547


%chk=000278996-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000278996

0 1
Br -0.562597 4.431117 0.199964
O 1.085666 -0.675114 3.243861
O 6.037521 0.009710 -1.050656
O -6.257521 -0.116118 -1.762339
N 1.005740 -1.897861 0.831486
N -0.811930 -1.244487 -0.567610
C -0.231528 -1.039872 0.793837
C 0.559634 -3.110820 0.059426
C -0.233944 -2.508318 -1.133956
C 0.061024 0.371425 1.275006
C 2.254258 -1.328649 0.297390
C -2.185049 -0.950268 -0.811652
C 0.685190 0.470472 2.555573
C -0.298825 1.543289 0.578539
C 2.307827 -0.408198 -0.774641
C -3.007584 -0.299759 0.148289
C 3.464148 -1.779017 0.882726
C -2.769637 -1.288475 -2.069407
C 0.901298 1.735413 3.144700
C -0.059405 2.796064 1.175182
C 3.548706 0.071917 -1.248890
C -4.361308 -0.002806 -0.129765
C 4.705250 -1.324368 0.406061
C -4.116030 -1.001885 -2.345230
C 0.524778 2.907686 2.454882
C 4.751729 -0.390704 -0.660399
C -4.924975 -0.357825 -1.376835
C 6.140543 0.999587 -2.126193
C -7.115321 0.571181 -0.797117
H -0.917290 -1.501918 1.549068
H -0.102517 -3.719638 0.701254
H 1.427502 -3.712534 -0.246273
H 0.433978 -2.294500 -1.989376
H -1.035864 -3.188899 -1.471294
H -0.766543 1.467065 -0.406665
H 1.380472 -0.055060 -1.235961
H -2.602332 -0.000149 1.118738
H 3.422416 -2.479813 1.723613
H -2.158931 -1.758235 -2.847482
H 1.373468 1.788598 4.129715
H 3.561303 0.797609 -2.067435
H -4.955253 0.504219 0.636634
H 5.645848 -1.660473 0.852101
H -4.559192 -1.259966 -3.311983
H 0.694206 3.889626 2.905820
H 1.139607 -1.447510 2.573306
H 5.639547 1.947289 -1.848961
H 5.710275 0.614118 -3.071119
H 7.218936 1.173129 -2.253923
H -7.227808 -0.016714 0.135480
H -8.092203 0.665784 -1.294014
H -6.722483 1.577959 -0.552676


