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	hartrees
Energy at 0K	-2778.771539
Energy at 298.15K	-2778.775466
HF Energy	-2778.771539
Nuclear repulsion energy	225.585998

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1755	1744	379.17
2	A'	832	827	127.57
3	A'	559	555	119.65
4	A'	357	355	61.01
5	A'	203	202	0.15
6	A"	170	168	0.08

Atom	x (Å)	y (Å)
Br1	-0.758	-0.793
O2	0.000	0.883
N3	1.547	0.802
O4	1.964	1.885

	Br1	O2	N3	O4
Br1		1.8402	2.8038	3.8188
O2	1.8402		1.5495	2.2044
N3	2.8038	1.5495		1.1603
O4	3.8188	2.2044	1.1603

Number	Element	Mulliken
1	Br	0.287
2	O	-0.392
3	N	0.303
4	O	-0.199

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

using model chemistry: PBEPBE/aug-cc-pVTZ

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
	0.240	-0.576	0.000	0.624
CHELPG
AIM
ESP

	x	y	z
x	8.600	2.873	0.000
y	2.873	7.852	0.000
z	0.000	0.000	4.687

<r²>	150.005
(<r²>)^1/2	12.248