%chk=000188235.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188235

0 1
Br 7.892184 -1.354637 0.411870
Br -5.767321 -4.173095 -0.116493
O -1.887001 3.904483 0.184722
N -0.340066 0.661325 0.239275
N 0.285778 3.410392 -0.167926
N 2.774547 -1.810546 -1.256064
N -4.953896 1.169483 -0.195865
C 1.066846 1.100523 0.347190
C 1.967971 0.026166 -0.168606
C 1.347287 2.415921 -0.436284
C 3.376608 -0.083256 0.130693
C -1.291846 1.527649 0.098551
C 3.859399 -1.244759 -0.566791
C -2.679156 1.104662 -0.001518
C 1.630087 -1.029858 -1.001989
C -1.037490 3.040026 0.036450
C -3.166015 -0.259594 0.000750
C -4.595228 -0.192687 -0.126961
C 4.273744 0.667863 0.911678
C -3.792474 1.941370 -0.114850
C 5.207702 -1.650919 -0.502263
C -2.548609 -1.519258 0.105383
C 5.600215 0.274053 0.980935
C 6.042669 -0.870886 0.274924
C -5.402905 -1.344727 -0.165857
C -3.335996 -2.659636 0.069788
C -4.739878 -2.554649 -0.067536
H 1.281617 1.261442 1.444662
H 2.336616 2.829709 -0.145210
H 1.398686 2.202978 -1.530633
H 0.665101 -1.279692 -1.416528
H 0.529410 4.396663 -0.218189
H 2.805210 -2.641656 -1.814988
H 3.922815 1.541554 1.457214
H -3.813846 3.028947 -0.132502
H 5.557176 -2.530601 -1.036762
H -5.889894 1.520756 -0.276053
H -1.463689 -1.579376 0.222298
H 6.310052 0.842753 1.582595
H -6.482680 -1.274727 -0.265775
H -2.874830 -3.644162 0.152764


%chk=000188235-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000188235

0 1
Br 8.031400 -1.335016 0.363113
Br -5.866581 -4.204856 -0.202187
O -1.882393 3.955001 0.457661
N -0.357087 0.644932 0.178193
N 0.302065 3.397088 -0.080318
N 2.810734 -1.880027 -1.147033
N -4.974673 1.183401 -0.221169
C 1.058220 1.095675 0.306069
C 1.994297 -0.003391 -0.134243
C 1.299607 2.395758 -0.503126
C 3.420437 -0.083613 0.126224
C -1.311051 1.562193 0.119500
C 3.906084 -1.275305 -0.523897
C -2.703464 1.136125 0.009273
C 1.660882 -1.111472 -0.909180
C -1.014062 3.069334 0.177130
C -3.195911 -0.240443 -0.015973
C -4.623653 -0.175891 -0.163093
C 4.340217 0.717182 0.853822
C -3.832581 1.967432 -0.117801
C 5.260153 -1.674641 -0.474630
C -2.581476 -1.514091 0.086996
C 5.694657 0.336380 0.917815
C 6.128259 -0.843794 0.253547
C -5.446474 -1.320142 -0.223970
C -3.382293 -2.673855 0.031637
C -4.788507 -2.559109 -0.126094
H 1.245555 1.324277 1.380030
H 2.314557 2.787663 -0.319076
H 1.210820 2.170681 -1.585896
H 0.685089 -1.402792 -1.289124
H 0.528134 4.394932 -0.083284
H 2.835944 -2.750459 -1.673100
H 4.012512 1.622496 1.377089
H -3.867271 3.053483 -0.113626
H 5.621441 -2.579513 -0.971029
H -5.922238 1.544278 -0.311704
H -1.499592 -1.577291 0.221885
H 6.415574 0.938990 1.476733
H -6.532274 -1.257430 -0.336646
H -2.926155 -3.664173 0.115583


