%chk=000191773.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191773

0 1
Br -1.513057 3.218535 1.176593
O -1.738836 -3.099988 -0.238488
O -1.206696 -1.903709 1.610313
O -4.308914 0.703272 -0.021806
N -2.064784 0.466152 0.356494
N 4.356759 0.535012 0.190886
N 4.879742 1.652835 0.402745
N 5.540230 2.542847 0.650745
C -1.979010 -0.765124 -0.452821
C -0.956975 -0.615066 -1.597818
C 0.428872 -0.279030 -1.124844
C -1.586682 -1.929747 0.467277
C 1.344161 -1.306547 -0.832533
C 0.819738 1.057914 -0.974913
C -3.291987 1.108454 0.511039
C 2.631601 -1.008268 -0.398858
C 2.107965 1.379214 -0.539527
C 3.011756 0.342930 -0.253881
C -3.247181 2.361794 1.353875
C -1.452593 -4.336494 0.470995
H -2.997318 -0.994097 -0.897908
H -0.950691 -1.558178 -2.189794
H -1.324676 0.166034 -2.299706
H -1.226481 0.693790 0.897988
H 1.042183 -2.349505 -0.943618
H 0.114081 1.861019 -1.197357
H 3.345013 -1.801437 -0.169338
H 2.391028 2.422795 -0.431734
H -3.432057 2.136351 2.422915
H -4.035447 3.072821 1.029365
H -0.485717 -4.266417 0.980031
H -1.443469 -5.078247 -0.334605
H -2.256957 -4.523818 1.189387


%chk=000191773-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000191773

0 1
Br -2.152765 2.615786 2.792002
O -1.510799 -3.158811 -0.103527
O -1.257783 -1.844479 1.802784
O -3.678545 1.411840 -0.954713
N -2.264113 0.347948 0.556395
N 4.379279 0.382373 -0.060544
N 4.840080 1.505896 0.295070
N 5.458986 2.455298 0.649188
C -2.090225 -0.835578 -0.293524
C -1.145030 -0.584759 -1.524616
C 0.298455 -0.297305 -1.153165
C -1.580253 -1.967447 0.598697
C 1.269638 -1.333777 -1.157547
C 0.714746 1.007312 -0.779591
C -3.063890 1.382313 0.161610
C 2.606933 -1.085807 -0.794306
C 2.047497 1.274976 -0.408960
C 2.998343 0.220896 -0.413854
C -3.273319 2.573951 1.096763
C -1.010257 -4.330018 0.664145
H -3.075838 -1.120406 -0.710544
H -1.208836 -1.482974 -2.163369
H -1.593575 0.256485 -2.082404
H -1.810406 0.344220 1.478303
H 0.973497 -2.345000 -1.460513
H -0.012107 1.827263 -0.787697
H 3.357445 -1.881861 -0.803625
H 2.346044 2.290749 -0.124329
H -4.320815 2.594263 1.434982
H -3.039213 3.504724 0.559681
H 0.007738 -4.128876 1.036735
H -1.019310 -5.159462 -0.055700
H -1.678000 -4.533635 1.517274


