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Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1821	1757	296.48
2	A'	887	856	138.80
3	A'	634	612	226.00
4	A'	417	402	47.65
5	A'	240	231	0.02
6	A"	174	167	0.00

Atom	x (Å)	y (Å)
Br1	-0.733	-0.785
O2	0.000	0.874
N3	1.484	0.790
O4	1.909	1.868

	Br1	O2	N3	O4
Br1		1.8142	2.7200	3.7443
O2	1.8142		1.4866	2.1520
N3	2.7200	1.4866		1.1587
O4	3.7443	2.1520	1.1587

Number	Element	Mulliken
1	Br	0.245
2	O	-0.378
3	N	0.245
4	O	-0.111

	x	y	z	Total
	0.050	-0.626	0.000	0.628
CHELPG
AIM
ESP

All results from a given calculation for BrONO (Bromine nitrite)

using model chemistry: G4

States and conformations

Conformer 1 (CS trans)

Conformer 2 (CS cis)

	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

	hartrees
Energy at 0K	-2778.632106
Energy at 298.15K	-2778.636632
HF Energy	-2778.947761
Nuclear repulsion energy	237.975200

<r²>	144.041
(<r²>)^1/2	12.002