%chk=000254006.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000254006

0 1
Br 5.747547 0.054606 -0.457447
O -4.633181 -0.908514 -0.171225
O -2.909555 -1.423482 -1.382232
O -2.640475 2.458914 0.586676
N -0.255061 -0.229213 0.647072
N -3.454793 -0.845886 -0.469155
C -2.610852 0.067181 0.404478
C 1.130711 -0.137286 0.308032
C -1.196160 0.182360 -0.128612
C 1.739162 1.099771 0.026025
C 1.896836 -1.317213 0.369002
C 3.116955 1.155431 -0.195127
C 3.271296 -1.256731 0.137260
C 3.866290 -0.022464 -0.142445
C -3.288719 1.450618 0.545649
H -2.588568 -0.386539 1.446092
H -1.118079 0.615359 -1.136769
H 1.145524 2.013387 -0.001704
H 1.416343 -2.269043 0.599482
H 3.595347 2.113719 -0.407976
H 3.870765 -2.168683 0.178893
H -4.387733 1.397506 0.622229


%chk=000254006-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000254006

0 1
Br 5.813999 0.140595 -0.510130
O -4.723694 -0.876451 -0.270427
O -3.017924 -0.943033 -1.794412
O -2.651771 2.448718 0.909385
N -0.256722 -0.416799 0.614469
N -3.511980 -0.660435 -0.645579
C -2.609233 0.045323 0.388753
C 1.125097 -0.240772 0.315231
C -1.184103 0.179457 -0.077345
C 1.671128 0.981977 -0.167834
C 1.990488 -1.334224 0.580286
C 3.055176 1.096939 -0.407568
C 3.372036 -1.234811 0.320416
C 3.889796 -0.017304 -0.173031
C -3.293048 1.396052 0.737078
H -2.650940 -0.592639 1.292784
H -1.002229 0.791272 -0.978727
H 1.025123 1.854703 -0.315209
H 1.562887 -2.258760 0.979457
H 3.478144 2.040501 -0.763502
H 4.033513 -2.084537 0.509894
H -4.402141 1.328027 0.834209


