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	hartrees
Energy at 0K	-2765.808546
Energy at 298.15K	-2765.812610
HF Energy	-2765.808546
Nuclear repulsion energy	223.267413

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1526	1457	189.99
2	A'	853	815	256.51
3	A'	738	704	46.54
4	A'	406	387	7.73
5	A'	213	204	0.13
6	A"	161	153	0.00

Atom	x (Å)	y (Å)
Br1	-0.762	-0.798
O2	0.000	0.912
N3	1.541	0.783
O4	1.987	1.894

	Br1	O2	N3	O4
Br1		1.8722	2.7934	3.8478
O2	1.8722		1.5459	2.2166
N3	2.7934	1.5459		1.1970
O4	3.8478	2.2166	1.1970

Number	Element	Mulliken
1	Br	0.248
2	O	-0.373
3	N	0.343
4	O	-0.218

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

using model chemistry: mPW1PW91/3-21G

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
	-0.033	-1.193	0.000	1.194
CHELPG
AIM
ESP

	x	y	z
x	5.000	3.088	0.000
y	3.088	5.053	0.000
z	0.000	0.000	1.097

<r²>	151.318
(<r²>)^1/2	12.301