%chk=000289836.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289836

0 1
Br 2.250255 -3.515875 0.093522
S 1.666883 1.698326 0.144660
O 1.028852 2.672091 0.982391
O 2.955198 1.138542 0.475271
N 0.622518 0.309627 0.056248
N -0.062790 -1.903045 -0.022752
C -0.803227 0.312593 0.011312
C 0.986042 -1.087724 0.059535
C -1.211301 -1.064446 -0.057675
C -1.733761 1.356151 0.028344
C 1.679208 2.266595 -1.497182
C 2.380332 -1.569270 0.152536
C -2.570669 -1.393278 -0.136448
C -3.077412 1.000416 -0.050420
C -3.488653 -0.348058 -0.137074
H -1.423973 2.394209 0.135516
H 0.825156 1.929872 -2.107873
H 1.656332 3.367607 -1.570324
H 2.575614 1.957073 -2.060066
H 2.879278 -1.257837 1.098300
H 3.029144 -1.220898 -0.674405
H -2.878812 -2.436685 -0.189799
H -3.838172 1.781496 -0.036748
H -4.554142 -0.568782 -0.196770


%chk=000289836-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000289836

0 1
Br 3.153602 -1.693227 -1.637375
S 1.627433 1.810970 0.102052
O 0.713363 3.057197 0.576123
O 2.967069 1.404456 0.910920
N 0.511217 0.264646 0.065058
N -0.175867 -1.903263 0.203292
C -0.903988 0.316112 0.046631
C 0.899819 -1.098220 0.183386
C -1.306143 -1.060704 0.123870
C -1.840702 1.370456 -0.023987
C 2.029703 1.997296 -1.752342
C 2.294842 -1.577861 0.248015
C -2.676204 -1.409197 0.113396
C -3.201564 0.998946 -0.033487
C -3.616080 -0.364952 0.030783
H -1.535629 2.419167 -0.038048
H 1.065378 2.151767 -2.255180
H 2.689272 2.874581 -1.816380
H 2.524928 1.060240 -2.046213
H 2.320518 -2.614077 0.604480
H 2.977351 -0.912222 0.791808
H -2.977197 -2.459640 0.166422
H -3.963389 1.784488 -0.083545
H -4.685833 -0.598261 0.020420


