%chk=000297442.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297442

0 1
Br -5.731191 -1.053393 1.964989
O -1.988068 -0.839484 -1.059836
N -0.389112 0.644913 -0.230747
N -2.542374 1.405243 -0.893692
C 3.590343 2.212881 0.561044
C 4.728978 1.328624 0.045931
C 2.254348 1.763018 -0.044258
C 4.505358 -0.125319 0.474887
C 2.021863 0.278264 0.064279
C 3.093315 -0.607360 0.266958
C 0.715486 -0.263025 -0.083425
C 2.868811 -1.995426 0.311272
C 0.500671 -1.647636 -0.044590
C 1.583651 -2.506447 0.150870
C -1.660441 0.289610 -0.734744
C -3.945484 1.085240 -1.267896
C -4.791397 0.683483 -0.083123
C -4.679984 -0.521844 0.467207
H 3.780640 3.272903 0.311303
H 3.540759 2.158738 1.666266
H 5.702451 1.690395 0.425458
H 4.786585 1.391045 -1.058538
H 2.225893 2.040566 -1.121339
H 1.434644 2.328373 0.446424
H 4.754550 -0.239970 1.552556
H 5.214932 -0.783190 -0.068065
H 3.703686 -2.674329 0.468261
H -0.503960 -2.059777 -0.179382
H 1.415698 -3.583035 0.177612
H -0.166257 1.636752 -0.105309
H -2.461950 2.180829 -0.236248
H -3.935082 0.267801 -2.034818
H -4.367090 1.985878 -1.770271
H -5.489769 1.439858 0.276287
H -3.990703 -1.302783 0.132280


%chk=000297442-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000297442

0 1
Br -6.019174 -0.358466 2.338289
O -2.091239 -1.092890 -0.905341
N -0.320875 0.442375 -0.531075
N -2.482113 1.202520 -1.027170
C 3.472094 2.244235 0.697293
C 4.669523 1.450407 0.138284
C 2.142116 1.725655 0.102078
C 4.548795 -0.025136 0.568665
C 2.040821 0.199179 0.041728
C 3.176144 -0.624651 0.265876
C 0.784649 -0.420414 -0.267276
C 3.043745 -2.035045 0.211042
C 0.660529 -1.831204 -0.312073
C 1.796817 -2.628329 -0.065078
C -1.648541 0.092665 -0.816993
C -3.925352 0.989716 -1.240476
C -4.720685 0.940456 0.063632
C -5.041855 -0.236317 0.643247
H 3.575648 3.324602 0.482699
H 3.452921 2.131914 1.799693
H 5.622707 1.876882 0.503374
H 4.678831 1.523196 -0.967784
H 2.024850 2.143852 -0.923071
H 1.310225 2.140746 0.712007
H 4.743984 -0.095875 1.659580
H 5.328361 -0.637845 0.077175
H 3.927059 -2.662012 0.383073
H -0.308922 -2.275309 -0.541986
H 1.702857 -3.719357 -0.102387
H -0.100846 1.438995 -0.532415
H -2.157018 2.148915 -0.824188
H -4.030253 0.035672 -1.781803
H -4.307881 1.800069 -1.886859
H -4.999386 1.891546 0.535225
H -4.768736 -1.219350 0.250618


