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	hartrees
Energy at 0K	-2773.888477
Energy at 298.15K	-2773.893109
HF Energy	-2773.888477
Nuclear repulsion energy	245.227508

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2006	1802	304.01
2	A'	1023	919	167.21
3	A'	899	808	130.59
4	A'	627	563	0.95
5	A'	258	232	0.61
6	A"	355	319	3.26

Atom	x (Å)	y (Å)
Br1	0.000	0.912
O2	-0.873	-0.697
N3	-0.143	-1.822
O4	0.998	-1.698

	Br1	O2	N3	O4
Br1		1.8301	2.7374	2.7937
O2	1.8301		1.3416	2.1223
N3	2.7374	1.3416		1.1478
O4	2.7937	2.1223	1.1478

Number	Element	Mulliken
1	Br	0.269
2	O	-0.469
3	N	0.482
4	O	-0.282

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

using model chemistry: HF/6-31G*

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

	x	y	z	Total
	0.251	0.985	0.000	1.016
CHELPG
AIM
ESP

	x	y	z
x	3.913	-0.092	0.000
y	-0.092	6.563	0.000
z	0.000	0.000	2.645

<r²>	114.658
(<r²>)^1/2	10.708