%chk=000271536.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271536

0 1
Br 1.031356 -3.150272 -0.017757
O -0.163551 -0.446670 -0.400233
O 5.900658 1.027289 0.181977
O 5.992483 -1.123236 0.391289
N -2.144843 0.192091 -1.440345
N 5.383054 -0.079201 0.220348
C -1.064076 0.738329 -0.580623
C -1.734179 1.038726 0.835080
C -0.301395 1.855984 -1.285268
C -3.049459 0.283000 0.724893
C -3.219697 -0.235633 -0.588847
C -2.015145 2.533832 1.008689
C -0.881610 0.508534 1.984829
C 0.991640 2.206127 -0.544882
C 1.817301 0.975759 -0.316848
C -1.750926 -0.700287 -2.558866
C 1.166332 -0.287227 -0.266128
C -4.022795 0.072111 1.684960
C -4.351021 -0.966591 -0.940011
C -5.172608 -0.661640 1.336972
C -5.329835 -1.168900 0.047290
C 3.194530 1.030734 -0.157139
C 1.912616 -1.475099 -0.069240
C 3.926415 -0.155857 0.049054
C 3.291084 -1.409630 0.089854
H -0.951454 2.748070 -1.394977
H -0.065344 1.550114 -2.328269
H -2.580349 2.714676 1.932700
H -1.093749 3.122823 1.074677
H -2.624104 2.931166 0.186759
H 0.100583 0.990121 2.028719
H -1.373021 0.671898 2.951021
H -0.715242 -0.576053 1.889052
H 0.760384 2.688156 0.431839
H 1.561072 2.961605 -1.125610
H -1.416949 -1.697326 -2.220647
H -0.927295 -0.241914 -3.130008
H -2.610499 -0.820864 -3.239118
H -3.906204 0.460963 2.694282
H -4.483124 -1.365872 -1.940176
H -5.942415 -0.833853 2.085770
H -6.225798 -1.735881 -0.205492
H 3.729747 1.987931 -0.189032
H 3.891433 -2.317134 0.247360


%chk=000271536-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000271536

0 1
Br 1.077132 -3.287947 0.025742
O -0.145993 -0.527235 -0.376471
O 6.024034 0.993737 0.258254
O 6.110021 -1.275070 0.507509
N -2.172932 0.213584 -1.400022
N 5.462353 -0.172864 0.305298
C -1.084352 0.727572 -0.601985
C -1.754458 1.086781 0.801516
C -0.238977 1.806253 -1.294882
C -3.017318 0.217698 0.762161
C -3.221578 -0.245029 -0.560140
C -2.198577 2.581440 0.822446
C -0.872656 0.774574 2.032507
C 1.061465 2.136854 -0.533575
C 1.881221 0.885290 -0.276482
C -1.994153 -0.359671 -2.738864
C 1.214226 -0.379511 -0.226904
C -3.939733 -0.090787 1.769980
C -4.341233 -1.027240 -0.904652
C -5.078395 -0.877396 1.445278
C -5.270793 -1.334935 0.121663
C 3.273878 0.939729 -0.103305
C 1.985903 -1.563746 -0.020275
C 4.005114 -0.246286 0.118271
C 3.371935 -1.510587 0.159017
H -0.855749 2.711662 -1.418280
H 0.027960 1.455536 -2.308604
H -2.794880 2.765529 1.733197
H -1.335430 3.271991 0.841838
H -2.833365 2.825108 -0.047933
H 0.048551 1.382358 2.056092
H -1.440464 1.007185 2.951436
H -0.594258 -0.290531 2.063535
H 0.826036 2.643076 0.422928
H 1.657928 2.856439 -1.123103
H -1.785158 -1.446669 -2.691424
H -1.158544 0.129332 -3.261410
H -2.906604 -0.196435 -3.339832
H -3.789168 0.258693 2.798227
H -4.494432 -1.400382 -1.921955
H -5.805320 -1.134601 2.222708
H -6.148484 -1.945927 -0.117753
H 3.809885 1.892914 -0.140333
H 3.969363 -2.409587 0.326479


