%chk=000295687.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000295687

0 1
Br -5.156775 2.795925 1.204359
S 0.717252 -4.236579 0.006841
O 3.636663 1.598116 -0.126632
O 1.554752 2.468265 -0.105019
N -0.519997 0.690494 -0.140307
N 0.101518 -1.622291 -0.089236
N 2.454448 -2.262927 -0.047753
C 0.459113 -0.279903 -0.114205
C 1.848154 0.085753 -0.103187
C -1.941120 0.491058 -0.136625
C -2.712523 1.524045 0.440633
C -2.565728 -0.625731 -0.715132
C 2.801751 -0.963677 -0.075309
C 2.273144 1.477923 -0.112192
C -4.099055 1.403750 0.425291
C -3.959821 -0.712213 -0.706869
C 1.099859 -2.532470 -0.050631
C -4.741059 0.299005 -0.138695
C 4.175922 2.972471 -0.133155
C 5.673073 2.763001 -0.141467
C -1.080203 -4.290064 0.003730
H -0.197159 1.688557 -0.101239
H -2.232441 2.393586 0.893351
H -1.972801 -1.424265 -1.167340
H 3.879767 -0.728582 -0.073069
H -4.446605 -1.579699 -1.154989
H -5.828196 0.221527 -0.140142
H 3.790300 3.475287 -1.036707
H 3.801033 3.480576 0.771951
H 6.206826 3.721584 -0.150984
H 6.007304 2.200126 0.741459
H 5.995681 2.189129 -1.021699
H -1.387149 -5.316036 0.247454
H -1.496701 -4.018089 -0.974274
H -1.520224 -3.609651 0.748887


%chk=000295687-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000295687

0 1
Br -4.969911 3.393925 0.152345
S 0.800190 -4.425177 -0.313048
O 3.637886 1.579029 -0.072420
O 1.450044 2.368723 -0.004700
N -0.505984 0.535542 -0.062118
N 0.145235 -1.762521 -0.180393
N 2.511387 -2.384107 -0.243064
C 0.472073 -0.428406 -0.122336
C 1.868194 -0.023834 -0.123614
C -1.919710 0.438224 -0.045159
C -2.621448 1.676980 0.028935
C -2.650760 -0.778801 -0.096439
C 2.828532 -1.065719 -0.186278
C 2.265606 1.389420 -0.062418
C -4.024735 1.672721 0.050258
C -4.060357 -0.741101 -0.072515
C 1.163125 -2.654566 -0.235914
C -4.772644 0.478215 0.000956
C 4.112843 2.999790 -0.012403
C 5.635931 2.951183 -0.040323
C -1.077808 -4.416323 -0.287479
H -0.101802 1.495226 -0.021955
H -2.068283 2.621058 0.068859
H -2.104846 -1.719230 -0.153714
H 3.893164 -0.816430 -0.190278
H -4.621533 -1.681158 -0.112215
H -5.865221 0.496481 0.018913
H 3.686215 3.541016 -0.875700
H 3.716385 3.455254 0.912616
H 6.039694 3.979008 0.002767
H 6.030090 2.387784 0.822383
H 6.000079 2.474420 -0.966127
H -1.375466 -5.475719 -0.325018
H -1.460959 -3.876137 -1.165044
H -1.436200 -3.946769 0.639741


