%chk=000291439.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291439

0 1
Br -0.872211 2.525690 1.029775
O 3.541526 2.450255 -1.749316
O 1.396544 2.450674 -1.979430
O 4.730116 -2.382105 1.884127
O 5.831897 -0.791468 0.915009
N -0.100798 0.847806 -0.587527
N -1.250455 0.050247 -0.561992
N 2.441353 1.990356 -1.508353
N 4.798159 -1.376058 1.195847
C 1.098706 0.215120 -0.284144
C 2.345500 0.835020 -0.630762
C -3.590395 -0.308344 -0.234505
C 1.131298 -0.977336 0.512713
C -2.391112 0.567134 -0.202808
C 3.554851 0.305910 -0.128941
C 3.542634 -0.828956 0.668919
C 2.314371 -1.485209 0.979112
C -4.296052 -0.559848 0.952475
C -4.011575 -0.876505 -1.445241
C -2.579909 1.980617 0.255630
C -5.432888 -1.370369 0.919203
C -5.153189 -1.683262 -1.468368
C -5.864194 -1.928629 -0.289728
H 0.185078 -1.480871 0.737435
H 4.510171 0.801014 -0.382979
H 2.346843 -2.395099 1.593531
H -0.073440 1.596495 -1.342595
H -3.953475 -0.138990 1.897323
H -3.447681 -0.697784 -2.361114
H -3.371178 2.093504 1.021107
H -2.832620 2.665188 -0.578212
H -5.983040 -1.571275 1.838459
H -5.484900 -2.125319 -2.407989
H -6.753036 -2.559303 -0.310959


%chk=000291439-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000291439

0 1
Br -2.494085 3.107764 1.378480
O 3.450645 3.060138 -0.384577
O 1.174291 3.038127 -0.330488
O 5.045202 -2.977414 0.236449
O 6.064601 -0.938666 0.064476
N -0.108102 0.782735 -0.142999
N -1.239904 0.000703 -0.104315
N 2.337535 2.424116 -0.293542
N 5.014787 -1.689110 0.121494
C 1.138442 0.186494 -0.081214
C 2.351495 0.966871 -0.145336
C -3.622797 -0.278583 -0.110736
C 1.266079 -1.233526 0.049883
C -2.427871 0.598914 -0.194677
C 3.619446 0.349838 -0.078973
C 3.690669 -1.041461 0.051140
C 2.516724 -1.842722 0.116939
C -4.903443 0.253847 0.209784
C -3.504559 -1.679509 -0.343807
C -2.604400 2.079299 -0.396118
C -6.031115 -0.590183 0.292025
C -4.632565 -2.517303 -0.265512
C -5.903150 -1.976976 0.051578
H 0.345919 -1.817375 0.104261
H 4.526770 0.956971 -0.131043
H 2.619461 -2.925883 0.221966
H -0.092001 1.824464 -0.173819
H -5.022323 1.319131 0.435831
H -2.521926 -2.089607 -0.594078
H -3.590364 2.333325 -0.802170
H -1.821943 2.539994 -1.019528
H -7.007047 -0.165762 0.550388
H -4.526775 -3.590683 -0.456546
H -6.780798 -2.629667 0.110488


