%chk=000233074.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233074

0 1
Br 2.429689 -3.950641 -0.974864
O -0.820157 1.760327 0.773240
O 0.576938 -1.405755 1.453794
N 0.592151 -1.661306 -0.840081
C 0.047830 -0.306727 -1.165692
C 0.954571 0.771856 -0.620920
C -1.370577 -0.163525 -0.662819
C 0.493694 1.708969 0.313926
C -1.713974 0.816942 0.278414
C 2.297867 0.857902 -1.020854
C -2.388916 -1.019985 -1.111141
C 1.314424 2.713852 0.853375
C -3.017119 0.960687 0.786420
C 3.131548 1.848687 -0.502846
C -3.690121 -0.893861 -0.626175
C 2.640675 2.770631 0.435177
C -4.000399 0.091383 0.325120
C 0.813269 -2.076967 0.470213
C 1.395776 -3.474785 0.599292
H 0.039777 -0.232474 -2.291823
H 0.695738 -2.286167 -1.636016
H 2.690882 0.134986 -1.736303
H -2.156242 -1.793163 -1.842750
H 0.907806 3.410715 1.582889
H -3.226819 1.732255 1.524241
H 4.170540 1.904599 -0.820158
H -4.470205 -1.563435 -0.981479
H 3.303047 3.535968 0.840153
H -5.019068 0.176202 0.704268
H 0.597735 -4.225575 0.748705
H 2.059941 -3.523295 1.486796


%chk=000233074-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000233074

0 1
Br 1.870709 -4.587609 -0.917376
O -0.769840 1.625103 0.937262
O 0.482921 -1.402776 1.494071
N 0.635274 -1.653136 -0.822593
C 0.079820 -0.302784 -1.160580
C 0.971599 0.814783 -0.627959
C -1.360669 -0.156996 -0.679199
C 0.528223 1.684215 0.396065
C -1.704620 0.753639 0.346891
C 2.284675 0.990948 -1.126185
C -2.390886 -0.956462 -1.229919
C 1.367686 2.684958 0.932057
C -3.025527 0.854801 0.835039
C 3.136815 1.988033 -0.610859
C -3.717460 -0.866640 -0.763005
C 2.673730 2.833631 0.428554
C -4.031010 0.040987 0.279916
C 0.788431 -2.083627 0.467083
C 1.364771 -3.479596 0.723679
H 0.094766 -0.280599 -2.267949
H 0.912991 -2.281951 -1.581134
H 2.644145 0.323236 -1.919383
H -2.139889 -1.668877 -2.025944
H 0.981233 3.323867 1.731449
H -3.237283 1.566740 1.638073
H 4.149607 2.106910 -1.009117
H -4.499531 -1.494750 -1.201571
H 3.328965 3.607956 0.841732
H -5.057310 0.115546 0.655085
H 0.626943 -4.088459 1.267090
H 2.291021 -3.392790 1.310831


