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	hartrees
Energy at 0K	-2701.619162
Energy at 298.15K	-2701.622662
HF Energy	-2701.619162
Nuclear repulsion energy	141.668981

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2117	1928	1692.96
2	A'	603	550	167.07
3	A'	260	236	174.06

Atom	x (Å)	y (Å)
N1	0.473	-1.345
Br2	0.000	0.726
O3	-0.414	-2.000

	N1	Br2	O3
N1		2.1247	1.1014
Br2	2.1247		2.7569
O3	1.1014	2.7569

Number	Element	Mulliken
1	N	0.300
2	Br	-0.047
3	O	-0.253

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

using model chemistry: HF/aug-cc-pVDZ

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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You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	0.194	-2.593	0.000	2.600
CHELPG
AIM
ESP

	x	y	z
x	4.240	-0.198	0.000
y	-0.198	10.072	0.000
z	0.000	0.000	3.866

<r²>	83.797
(<r²>)^1/2	9.154