%chk=000195028.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195028

0 1
Br 4.496194 -0.256677 -0.723098
O -2.064374 -1.154849 -1.611777
O 2.354322 -2.051203 0.782042
O -2.760826 -1.600601 0.473911
N -3.711403 1.225413 0.002142
C -1.338569 1.077037 0.920086
C -2.330252 0.742587 -0.217320
C 0.075028 0.747652 0.527927
C 0.602963 -0.508980 0.826606
C 0.859090 1.703900 -0.145842
C -2.435558 -0.779460 -0.348121
C 1.926204 -0.801763 0.448282
C 2.169438 1.405581 -0.517098
C 2.713834 0.151992 -0.222109
H -1.622446 0.530128 1.847273
H -1.423518 2.151555 1.183561
H -1.954977 1.169001 -1.191609
H 0.020374 -1.273252 1.343644
H 0.443534 2.680983 -0.380921
H -3.755983 2.239033 -0.021422
H -4.086285 0.909404 0.893979
H 2.771350 2.153046 -1.039780
H -2.117137 -2.139037 -1.756246
H 3.294398 -2.233791 0.501089


%chk=000195028-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000195028

0 1
Br 4.531698 -0.431329 -0.775096
O -1.815817 -1.016815 -1.683603
O 2.393261 -2.096782 0.903174
O -2.870435 -1.553349 0.314470
N -3.788877 1.183361 0.153400
C -1.347490 1.135735 0.916393
C -2.415814 0.812877 -0.204846
C 0.078753 0.778813 0.537467
C 0.622051 -0.475598 0.895478
C 0.873041 1.681932 -0.218772
C -2.412886 -0.691177 -0.469689
C 1.932599 -0.840985 0.509276
C 2.183413 1.335153 -0.611278
C 2.702347 0.079641 -0.246222
H -1.662169 0.598347 1.830354
H -1.432931 2.220669 1.117708
H -2.125020 1.330466 -1.134407
H 0.045608 -1.198566 1.482726
H 0.472256 2.662694 -0.498476
H -3.956506 2.184919 0.267405
H -4.203946 0.600983 0.886381
H 2.795474 2.032781 -1.190025
H -1.798241 -2.007709 -1.792029
H 3.325033 -2.238362 0.585408


