%chk=000291513.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291513

0 1
Br -5.328323 0.726902 -0.395085
S 1.572943 -1.065206 -1.441007
O 0.839746 -1.080536 -2.690492
O 2.615755 -2.051003 -1.229463
O 1.096810 -2.949403 3.011214
O 2.111380 -1.119868 2.219729
N 0.454340 -1.384767 -0.150512
C -0.905663 -0.904902 -0.210133
C -1.245925 0.249007 0.589965
C -1.858296 -1.527680 -1.007070
C -2.574112 0.759797 0.547482
C 0.702689 -2.536333 0.728572
C 2.133045 0.525508 -1.120959
C -3.188160 -1.002218 -1.040139
C -3.521702 0.093424 -0.291663
C -0.288511 0.902586 1.428348
C -1.549530 -2.706748 -1.863462
C -2.906836 1.904690 1.337400
C -0.635772 1.999019 2.176882
C -1.963264 2.508460 2.130767
C 2.975656 0.771041 -0.030955
C 1.750252 1.575820 -1.965540
C 1.389873 -2.063643 2.000020
C 3.440867 2.067494 0.211006
C 2.214498 2.870194 -1.723020
C 3.060806 3.114516 -0.634348
H 1.381347 -3.291168 0.240313
H -0.237988 -3.078660 0.994907
H -3.921527 -1.498987 -1.680592
H 0.734143 0.513269 1.468606
H -1.016161 -3.498472 -1.323750
H -2.443106 -3.163766 -2.306556
H -0.896697 -2.398430 -2.710979
H -3.923372 2.300629 1.307475
H 0.096962 2.491788 2.815104
H 3.267161 -0.046315 0.644720
H 1.088943 1.382077 -2.819030
H -2.215496 3.379902 2.733301
H 4.097099 2.257612 1.059555
H 1.917458 3.687514 -2.378650
H 3.423582 4.125948 -0.445308
H 1.536386 -2.718791 3.872649


%chk=000291513-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000291513

0 1
Br -5.561872 0.582958 -0.456469
S 1.475893 -0.959114 -1.496302
O 0.589113 -0.764696 -2.853200
O 2.617014 -2.128980 -1.418988
O 1.359480 -3.472570 2.828727
O 2.140571 -1.339353 2.344202
N 0.348911 -1.303450 0.068835
C -1.017409 -0.901140 -0.071948
C -1.411072 0.308759 0.625766
C -1.952791 -1.622447 -0.852112
C -2.776699 0.795388 0.534621
C 0.719983 -2.569827 0.702881
C 2.248629 0.721378 -1.112996
C -3.298000 -1.140113 -0.923035
C -3.685695 0.022341 -0.261168
C -0.477264 1.035518 1.434398
C -1.584862 -2.852887 -1.660370
C -3.141378 1.990081 1.236539
C -0.862235 2.196043 2.107461
C -2.203004 2.680409 2.005070
C 3.086776 0.839513 0.007765
C 1.961974 1.765438 -2.005927
C 1.471879 -2.341113 2.015507
C 3.680264 2.102579 0.236276
C 2.567462 3.018749 -1.754980
C 3.423120 3.183919 -0.640908
H 1.419860 -3.139086 0.046538
H -0.154921 -3.211815 0.901648
H -4.024929 -1.693673 -1.524457
H 0.541272 0.645410 1.513746
H -0.995544 -3.585257 -1.082175
H -2.489359 -3.365862 -2.026883
H -0.974370 -2.559052 -2.533950
H -4.171279 2.352054 1.163634
H -0.134704 2.737675 2.721571
H 3.247684 -0.000873 0.689567
H 1.297164 1.596463 -2.858860
H -2.495621 3.592508 2.536156
H 4.337740 2.237698 1.101252
H 2.369290 3.858408 -2.429047
H 3.889258 4.157500 -0.454205
H 1.900971 -3.349179 3.655122


