%chk=000189392.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189392

0 1
Br -6.578008 0.509969 -1.007440
S 3.521434 -2.020572 -0.436578
O 6.228401 0.521130 0.362127
O -2.195763 -3.208224 -0.154328
N -1.408249 -0.477220 -0.707538
N 3.994824 0.826381 0.398670
N 1.991015 2.773195 0.655826
N -0.370321 -3.263929 1.214255
C -0.051277 -0.183096 -0.438607
C 0.276323 1.154598 -0.027469
C 0.941917 -1.158575 -0.576680
C 1.626721 1.497262 0.244902
C -0.733734 2.171473 0.117637
C 2.283019 -0.787893 -0.304770
C 2.651495 0.486760 0.097302
C 0.613837 -2.555016 -1.015001
C -2.120340 1.804322 -0.158625
C -2.420506 0.473360 -0.557183
C 0.588245 -3.586034 0.128961
C -0.341704 3.437863 0.518146
C 4.954279 -1.052078 -0.931424
C -3.183276 2.723037 -0.041272
C -3.762573 0.078782 -0.808551
C 1.033782 3.693748 0.779117
C 5.142393 0.124036 -0.015242
C -4.496533 2.348589 -0.294866
C -4.762975 1.022312 -0.673661
C -1.734977 -3.124249 0.980957
C -2.578574 -2.863554 2.194422
H 1.341153 -2.895843 -1.787467
H -0.369874 -2.592676 -1.542370
H -1.659062 -1.447535 -0.983820
H 0.312134 -4.579431 -0.302028
H 1.597226 -3.695277 0.586003
H -1.061211 4.243870 0.638890
H 4.143248 1.712604 0.910233
H 4.877522 -0.711793 -1.986457
H 5.848005 -1.716838 -0.892212
H -2.966593 3.752493 0.256659
H -3.982583 -0.952271 -1.097884
H 1.353769 4.694265 1.102458
H -5.305383 3.072561 -0.201223
H 0.034120 -3.029115 2.115053
H -3.648020 -2.890814 1.921870
H -2.433196 -3.611621 2.984898
H -2.388430 -1.872052 2.628206


%chk=000189392-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000189392

0 1
Br -6.656120 0.553564 -0.951204
S 3.575849 -2.111537 -0.379045
O 6.294446 0.679095 0.434522
O -2.336426 -3.063233 -0.097810
N -1.429330 -0.435900 -0.656563
N 3.979204 0.878223 0.393395
N 2.074795 2.772201 0.589573
N -0.411959 -3.401677 1.149402
C -0.068919 -0.160395 -0.442291
C 0.281963 1.183824 -0.066292
C 0.925534 -1.161189 -0.590764
C 1.657126 1.510052 0.188868
C -0.707623 2.221345 0.062564
C 2.285726 -0.808605 -0.314507
C 2.660285 0.492975 0.064359
C 0.574481 -2.553828 -1.085471
C -2.111438 1.879019 -0.205593
C -2.432608 0.522605 -0.544555
C 0.467580 -3.676175 -0.007508
C -0.258018 3.504098 0.452805
C 5.041478 -0.997105 -0.819278
C -3.175919 2.815990 -0.123157
C -3.785171 0.128206 -0.758939
C 1.121557 3.721650 0.709353
C 5.163363 0.236962 0.073842
C -4.513434 2.446916 -0.347151
C -4.793615 1.092477 -0.656583
C -1.763916 -3.182000 1.044188
C -2.546165 -3.065798 2.343521
H 1.371095 -2.891958 -1.777412
H -0.360984 -2.542561 -1.668353
H -1.733307 -1.420332 -0.758255
H 0.105333 -4.589886 -0.517000
H 1.470007 -3.891450 0.401605
H -0.951698 4.339649 0.573642
H 4.036202 1.819494 0.812091
H 4.937790 -0.691430 -1.875011
H 5.944185 -1.612103 -0.698117
H -2.960015 3.859810 0.124143
H -4.013366 -0.916559 -0.990564
H 1.467799 4.711988 1.027129
H -5.318830 3.182243 -0.280801
H 0.004505 -3.429230 2.081220
H -3.337569 -3.835098 2.353735
H -1.923650 -3.183776 3.246655
H -3.048520 -2.083654 2.379507


