%chk=000295800.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000295800

0 1
Br -5.856960 2.669189 0.279200
S -1.137432 -4.293232 0.426926
O 4.338832 0.773338 -0.070084
O 2.336436 1.821103 0.103067
N -0.178146 0.579187 -0.634054
N -0.573606 -1.730231 -0.164196
N 1.210828 -3.371250 -0.337910
C 1.651277 -1.046167 -0.898378
C 2.615828 -0.047553 -1.445740
C 0.293418 -0.731820 -0.559431
C -1.526398 0.993692 -0.377723
C 2.049824 -2.386391 -0.747910
C 3.029412 0.955554 -0.394141
C -1.707462 2.255592 0.228541
C -2.638325 0.236231 -0.787745
C -0.077734 -2.991723 -0.077944
C -2.996078 2.752109 0.420910
C -3.925229 0.738005 -0.588153
C 4.942546 1.660851 0.932922
C -4.092764 1.988444 0.011747
C 5.249820 3.004299 0.309968
C -2.719696 -3.485970 0.716003
H 3.518255 -0.554033 -1.863273
H 2.166486 0.499162 -2.308645
H 0.536252 1.331860 -0.564745
H 3.081346 -2.698365 -0.965181
H -0.848698 2.842980 0.555047
H -2.501815 -0.741556 -1.254002
H -3.138137 3.727110 0.890937
H -4.789690 0.151799 -0.905377
H 4.253334 1.733152 1.792836
H 5.845943 1.079985 1.196489
H 5.835226 3.635872 0.990177
H 5.822589 2.900046 -0.620714
H 4.327565 3.553519 0.066627
H -2.625281 -2.609993 1.375493
H -3.386123 -4.214442 1.195560
H -3.180841 -3.140754 -0.217706


%chk=000295800-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000295800

0 1
Br -5.775768 3.043711 0.334369
S -1.130299 -4.571216 0.167888
O 4.296946 0.859830 -0.008091
O 2.210215 1.889825 0.026391
N -0.195153 0.445204 -0.467134
N -0.582974 -1.902360 -0.229539
N 1.233323 -3.506421 -0.488052
C 1.634834 -1.120139 -0.896362
C 2.584020 -0.057244 -1.438428
C 0.262034 -0.861814 -0.526210
C -1.501300 0.959377 -0.262636
C 2.047045 -2.465266 -0.835914
C 2.989817 0.995801 -0.411846
C -1.605793 2.371274 -0.105762
C -2.684284 0.173127 -0.232043
C -0.059783 -3.155506 -0.226154
C -2.858620 2.989106 0.070851
C -3.941047 0.792063 -0.059210
C 4.807156 1.834993 1.020063
C -4.021035 2.190327 0.090433
C 5.348934 3.092603 0.338821
C -2.777285 -3.714765 0.454522
H 3.494155 -0.545302 -1.821381
H 2.099692 0.479617 -2.278540
H 0.552206 1.161879 -0.436937
H 3.079073 -2.734435 -1.091806
H -0.700113 2.989270 -0.119913
H -2.604294 -0.908944 -0.330008
H -2.924310 4.073966 0.191166
H -4.848114 0.180771 -0.039783
H 3.981309 2.068271 1.713792
H 5.594892 1.264779 1.536073
H 5.801197 3.755829 1.098916
H 6.126812 2.837915 -0.401052
H 4.541245 3.649906 -0.164463
H -2.662759 -2.929546 1.215119
H -3.459469 -4.503125 0.809353
H -3.147702 -3.283762 -0.487093


