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	hartrees
Energy at 0K	-2779.384331
Energy at 298.15K	-2779.388372
HF Energy	-2779.384331
Nuclear repulsion energy	228.435517

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1818	1761	349.02
2	A'	870	843	150.46
3	A'	601	582	249.03
4	A'	400	387	66.36
5	A'	229	222	0.37
6	A"	169	164	0.00

Atom	x (Å)	y (Å)
Br1	-0.735	-0.798
O2	0.000	0.883
N3	1.496	0.817
O4	1.907	1.891

	Br1	O2	N3	O4
Br1		1.8341	2.7539	3.7694
O2	1.8341		1.4973	2.1569
N3	2.7539	1.4973		1.1500
O4	3.7694	2.1569	1.1500

Number	Element	Mulliken
1	Br	0.170
2	O	-0.287
3	N	0.167
4	O	-0.050

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

using model chemistry: B3LYP/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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You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	0.123	-0.772	0.000	0.781
CHELPG
AIM
ESP

	x	y	z
x	7.242	2.696	0.000
y	2.696	6.982	0.000
z	0.000	0.000	3.823

<r²>	146.500
(<r²>)^1/2	12.104