%chk=000235993.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235993

0 1
Br 3.238156 0.000596 -0.109018
N -1.484741 2.446036 -0.136580
N -1.483845 -2.446409 -0.138156
C -1.485182 -0.000232 0.004159
C -0.771776 1.221149 -0.036072
C -0.771350 -1.221354 -0.036605
C 0.648940 1.231921 -0.058120
C 0.649379 -1.231624 -0.058106
C 1.309114 0.000263 -0.071393
C -2.981973 -0.000560 0.039600
C 1.424243 2.509801 -0.077215
C 1.425084 -2.509263 -0.076765
H -3.395196 -0.878996 0.553835
H -3.395653 0.878026 0.553216
H -3.384646 -0.000976 -0.986787
H 2.025214 2.588113 -0.998194
H 0.797480 3.409571 -0.042687
H 2.119237 2.569647 0.774381
H 2.024334 -2.588616 -0.998760
H 2.121705 -2.567758 0.773604
H 0.798665 -3.409174 -0.039476
H -2.421092 2.436361 0.249575
H -0.968982 3.269199 0.156293
H -2.420284 -2.437403 0.247778
H -0.967832 -3.269618 0.154190


%chk=000235993-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000235993

0 1
Br 3.335531 -0.003809 -0.265652
N -1.425589 2.447248 0.043449
N -1.430806 -2.444725 0.046775
C -1.458905 0.001301 0.105053
C -0.737184 1.225325 0.015894
C -0.739740 -1.224370 0.017366
C 0.693670 1.252427 -0.096821
C 0.690949 -1.254691 -0.096017
C 1.345114 -0.001813 -0.133281
C -2.965283 0.002819 0.302647
C 1.388775 2.598255 -0.169526
C 1.383034 -2.602109 -0.168275
H -3.299225 -0.874416 0.887828
H -3.298080 0.883096 0.883821
H -3.529260 0.000949 -0.653106
H 2.478375 2.489765 -0.266794
H 1.038885 3.186891 -1.042878
H 1.202116 3.203691 0.741901
H 2.472426 -2.496111 -0.270545
H 1.199096 -3.205065 0.745349
H 1.028221 -3.191996 -1.038786
H -2.438117 2.478532 0.004897
H -0.917192 3.324148 0.016735
H -2.443472 -2.473841 0.010317
H -0.924341 -3.322800 0.022347


