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	hartrees
Energy at 0K	-2700.570222
Energy at 298.15K	-2700.573743
HF Energy	-2700.570222
Nuclear repulsion energy	139.481797

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1911	1890	599.97
2	A'	577	571	63.81
3	A'	291	287	28.63

Atom	x (Å)	y (Å)
N1	0.479	-1.338
Br2	0.000	0.736
O3	-0.419	-2.047

	N1	Br2	O3
N1		2.1281	1.1439
Br2	2.1281		2.8141
O3	1.1439	2.8141

Number	Element	Mulliken
1	N	0.052
2	Br	-0.115
3	O	0.063

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

using model chemistry: LSDA/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
	-0.067	-1.593	0.000	1.594
CHELPG
AIM
ESP

	x	y	z
x	2.542	-0.020	0.000
y	-0.020	7.942	0.000
z	0.000	0.000	2.019

<r²>	85.290
(<r²>)^1/2	9.235