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	hartrees
Energy at 0K	-2701.734279
Energy at 298.15K	-2701.737765
HF Energy	-2701.734279
Nuclear repulsion energy	142.096229

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2108	2108	1739.38
2	A'	602	602	172.37
3	A'	250	250	193.96

Atom	x (Å)	y (Å)
N1	0.468	-1.345
Br2	0.000	0.725
O3	-0.409	-1.995

	N1	Br2	O3
N1		2.1225	1.0916
Br2	2.1225		2.7507
O3	1.0916	2.7507

Number	Element	Mulliken
1	N	0.359
2	Br	-0.169
3	O	-0.190

All results from a given calculation for BrNO (Nitrosyl bromide)

using model chemistry: ROHF/aug-cc-pVQZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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	x	y	z	Total
	0.186	-2.668	0.000	2.674
CHELPG
AIM
ESP

<r²>	83.450
(<r²>)^1/2	9.135