%chk=000229548.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229548

0 1
Br -4.109804 -1.104015 1.735779
O -3.515966 1.713112 -0.225599
C -3.859869 -0.664133 -0.213817
C -2.999022 0.624524 -0.172307
C -1.516061 0.439796 -0.084344
C 1.262855 0.140465 0.045841
C -5.222675 -0.381734 -0.812031
C -3.158574 -1.829228 -0.877978
C -0.750481 0.510600 -1.256651
C -0.895747 0.234817 1.153170
C 0.634843 0.359223 -1.191991
C 0.491398 0.081259 1.216650
C 2.732388 -0.022598 0.113756
C 3.286753 -1.186036 0.670279
C 3.575789 0.986299 -0.377634
C 4.674445 -1.337470 0.730495
C 4.962598 0.830129 -0.310277
C 5.513662 -0.330864 0.241827
H -5.151002 -0.170688 -1.888268
H -5.917393 -1.222553 -0.687908
H -5.693545 0.503823 -0.351038
H -2.196881 -2.074308 -0.401390
H -3.768652 -2.743705 -0.845717
H -2.949712 -1.619224 -1.936425
H -1.233941 0.690723 -2.216507
H -1.487973 0.201023 2.069632
H 1.232640 0.409112 -2.101621
H 0.977097 -0.074928 2.179898
H 2.634641 -1.971425 1.049289
H 3.147830 1.893025 -0.803126
H 5.102765 -2.241948 1.159842
H 5.615335 1.615635 -0.688324
H 6.594356 -0.450505 0.291796


%chk=000229548-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229548

0 1
Br -4.107398 -0.198012 1.908542
O -3.322219 1.301325 -1.524437
C -4.000140 -0.573567 -0.153615
C -2.924341 0.400444 -0.725971
C -1.455679 0.248642 -0.449780
C 1.395524 0.095444 -0.099631
C -5.397362 -0.238279 -0.692369
C -3.654140 -2.060275 -0.348956
C -0.566816 0.925975 -1.333632
C -0.890121 -0.499859 0.620196
C 0.824417 0.846495 -1.167004
C 0.504780 -0.568216 0.789856
C 2.870892 0.014064 0.084519
C 3.475976 -1.151608 0.632177
C 3.714469 1.099635 -0.282603
C 4.873609 -1.229944 0.806159
C 5.112048 1.023247 -0.107280
C 5.699482 -0.142396 0.437555
H -5.420615 -0.419954 -1.783327
H -6.152570 -0.877340 -0.205420
H -5.649069 0.819688 -0.527095
H -2.686097 -2.342822 0.089097
H -4.443062 -2.692716 0.091718
H -3.610357 -2.270609 -1.436071
H -1.000012 1.505765 -2.154903
H -1.535496 -0.982196 1.358858
H 1.479926 1.347226 -1.887743
H 0.908227 -1.112008 1.650912
H 2.851563 -2.013279 0.893792
H 3.270813 2.021175 -0.675619
H 5.319271 -2.140949 1.220717
H 5.741701 1.875252 -0.386595
H 6.784891 -0.202145 0.573255


