%chk=000218871.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218871

0 1
Br -4.360952 -2.936491 -0.990288
Br -8.214852 1.129107 0.148402
S 7.696608 0.416698 -1.568669
O -2.519700 -0.660904 -0.203879
N 6.048663 0.266964 0.547036
N -4.073358 1.036595 0.273505
C 4.858778 -0.546933 0.131107
C 3.586436 0.290538 0.345539
C 2.330702 -0.529214 0.026355
C 7.238624 -0.580293 0.871188
C 6.457434 1.251594 -0.466729
C 1.057483 0.300178 0.241586
C 8.032849 -0.934779 -0.391991
C -0.196509 -0.521928 -0.074762
C -1.454435 0.310109 0.141846
C -3.799444 -0.244743 -0.120396
C -4.812786 -1.186080 -0.454993
C -6.140004 -0.778123 -0.375832
C -5.374784 1.415686 0.344544
C -6.422083 0.536380 0.028244
H 4.922186 -0.898183 -0.921651
H 4.813034 -1.458387 0.766082
H 3.556481 0.654003 1.392842
H 3.617393 1.201828 -0.282171
H 2.371029 -0.892765 -1.019309
H 2.299302 -1.436760 0.660679
H 7.871437 0.009845 1.574624
H 6.925450 -1.489487 1.423737
H 1.087678 1.206813 -0.394634
H 1.019406 0.664106 1.287611
H 6.952692 2.110511 0.031865
H 5.619312 1.632222 -1.078558
H 9.117136 -0.998701 -0.201146
H 7.714988 -1.892879 -0.836548
H -0.168875 -0.894901 -1.119556
H -0.237772 -1.434338 0.555607
H -1.606752 0.627855 1.186381
H -1.543328 1.172813 -0.538592
H -6.951930 -1.470526 -0.624523
H -5.558334 2.451873 0.664447


%chk=000218871-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218871

0 1
Br -4.688968 -3.059996 -0.849639
Br -8.266056 1.442225 0.136388
S 7.680618 0.527844 -1.678330
O -2.609436 -0.822215 -0.220628
N 6.121002 0.308557 0.610838
N -4.076530 0.988915 0.181897
C 4.935518 -0.487031 0.176461
C 3.611889 0.274151 0.388581
C 2.376805 -0.577933 0.019704
C 7.336888 -0.494888 0.881075
C 6.510216 1.364608 -0.290058
C 1.048064 0.186944 0.211617
C 7.998600 -0.907910 -0.480267
C -0.193143 -0.677635 -0.110107
C -1.485519 0.118365 0.065951
C -3.885030 -0.315923 -0.138498
C -4.984304 -1.188442 -0.396179
C -6.291517 -0.680911 -0.318079
C -5.340387 1.491467 0.260444
C -6.466804 0.684530 0.015911
H 5.029014 -0.793632 -0.891926
H 4.918834 -1.409941 0.786450
H 3.554583 0.590358 1.448200
H 3.607118 1.201518 -0.219329
H 2.456632 -0.916024 -1.034189
H 2.362672 -1.496530 0.642594
H 8.048964 0.131275 1.449497
H 7.082695 -1.376794 1.493431
H 1.051672 1.090120 -0.433622
H 0.985805 0.551099 1.258074
H 7.144646 2.113232 0.205949
H 5.659761 1.832140 -0.803556
H 9.085135 -1.052640 -0.371819
H 7.540731 -1.820274 -0.896563
H -0.135458 -1.054573 -1.149171
H -0.219466 -1.563261 0.553431
H -1.604709 0.504747 1.095373
H -1.553541 0.973310 -0.631959
H -7.150228 -1.328539 -0.510919
H -5.437564 2.548992 0.521973


