%chk=000259881.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259881

0 1
Br 2.113121 5.760810 0.281832
S -1.385830 1.515435 0.775692
O -2.064789 2.747904 0.432683
O -0.738773 1.381549 2.058633
O 4.159885 -3.115905 -1.682003
O 3.730925 -3.568292 0.388219
N -0.145828 1.373844 -0.459331
N 3.585645 -2.898878 -0.624520
C -0.046923 2.487293 -1.447713
C 1.094814 3.467635 -1.128136
C 0.835361 0.364313 -0.477963
C -2.391369 0.167220 0.466353
C 1.542654 0.069903 -1.675035
C 1.100234 -0.404433 0.684232
C 0.805230 4.296735 0.112165
C -2.227617 -1.023430 1.188989
C -3.402569 0.255920 -0.500421
C -4.058251 -2.034870 -0.042733
C -3.050437 -2.117888 0.936727
C -4.229526 -0.835520 -0.757521
C 2.437420 -0.986308 -1.719944
C 1.997273 -1.459695 0.634768
C 2.657490 -1.768847 -0.569954
C -4.932470 -3.211254 -0.308198
H -1.022836 3.034557 -1.476470
H 0.101966 2.064363 -2.469421
H 2.053916 2.919964 -1.006431
H 1.244995 4.127577 -2.010548
H 1.373368 0.667766 -2.570406
H 0.657694 -0.137785 1.652158
H 0.880990 3.702807 1.041547
H -0.198838 4.761615 0.086489
H -1.453502 -1.094961 1.962562
H -3.553518 1.190426 -1.052685
H -2.915330 -3.040963 1.500010
H -5.012332 -0.757244 -1.510939
H 2.976953 -1.227243 -2.643935
H 2.208476 -2.056777 1.530582
H -5.665073 -3.036426 -1.108334
H -5.503304 -3.498081 0.589473
H -4.342694 -4.093837 -0.603077


%chk=000259881-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000259881

0 1
Br 2.779007 5.544535 0.355321
S -1.507432 1.637066 0.807813
O -2.369326 2.928056 0.324090
O -0.913762 1.568244 2.317674
O 4.023905 -3.138106 -1.846965
O 3.474510 -3.706168 0.297190
N -0.079183 1.587626 -0.452262
N 3.385881 -2.932435 -0.738167
C -0.051858 2.716040 -1.395128
C 1.186839 3.632856 -1.208600
C 0.788003 0.484939 -0.495162
C -2.491448 0.068385 0.472045
C 1.516128 0.201586 -1.697042
C 0.977359 -0.370954 0.636198
C 1.171081 4.318829 0.160518
C -2.448809 -0.961752 1.425138
C -3.270584 0.021178 -0.694337
C -4.012112 -2.229541 -0.004129
C -3.219458 -2.115427 1.170074
C -4.029826 -1.147225 -0.923905
C 2.366903 -0.909590 -1.773232
C 1.821029 -1.486467 0.553992
C 2.506509 -1.758408 -0.652110
C -4.828668 -3.481832 -0.257936
H -0.977914 3.300212 -1.230154
H -0.094209 2.339783 -2.436766
H 2.118913 3.051552 -1.327932
H 1.169197 4.393779 -2.011400
H 1.407525 0.846277 -2.572458
H 0.506118 -0.121226 1.590603
H 1.254056 3.607889 0.996372
H 0.296086 4.971802 0.300995
H -1.852986 -0.857172 2.336884
H -3.303047 0.865102 -1.390675
H -3.204814 -2.937248 1.894758
H -4.647169 -1.214281 -1.826235
H 2.919658 -1.138869 -2.688397
H 1.977477 -2.141505 1.415088
H -5.375933 -3.426429 -1.213304
H -5.568728 -3.643867 0.547547
H -4.182318 -4.378234 -0.288609


