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	hartrees
Energy at 0K	-2776.670480
Energy at 298.15K	-2776.674820
HF Energy	-2776.670480
Nuclear repulsion energy	236.626391

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1686	1623	311.65
2	A'	859	826	19.66
3	A'	752	724	71.17
4	A'	382	367	32.07
5	A'	178	171	1.30
6	A"	445	428	1.73

Atom	x (Å)	y (Å)
Br1	0.000	0.952
O2	-0.898	-0.718
N3	-0.149	-1.861
O4	1.028	-1.819

	Br1	O2	N3	O4
Br1		1.8956	2.8169	2.9554
O2	1.8956		1.3669	2.2187
N3	2.8169	1.3669		1.1780
O4	2.9554	2.2187	1.1780

Number	Element	Mulliken
1	Br	0.077
2	O	0.069
3	N	-0.166
4	O	0.020

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

using model chemistry: TPSSh/6-31+G**

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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	x	y	z	Total
	0.048	0.503	0.000	0.505
CHELPG
AIM
ESP

	x	y	z
x	5.126	-0.406	0.000
y	-0.406	9.511	0.000
z	0.000	0.000	3.607

<r²>	121.556
(<r²>)^1/2	11.025