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	hartrees
Energy at 0K	-217.058933
Energy at 298.15K	-217.063140
HF Energy	-217.058933
Nuclear repulsion energy	94.942313

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1858	1673	284.27
2	A'	907	817	154.01
3	A'	873	786	514.73
4	A'	466	419	1.47
5	A'	259	233	0.61
6	A"	143	128	0.00

Atom	x (Å)	y (Å)
Br1	-0.695	-0.849
O2	0.000	0.880
N3	1.426	0.915
O4	1.794	2.032

	Br1	O2	N3	O4
Br1		1.8635	2.7592	3.8073
O2	1.8635		1.4268	2.1319
N3	2.7592	1.4268		1.1758
O4	3.8073	2.1319	1.1758

Number	Element	Mulliken
1	Br	0.358
2	O	-0.541
3	N	0.357
4	O	-0.174

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

using model chemistry: HF/SDD

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
	-0.437	-2.340	0.000	2.380
CHELPG
AIM
ESP

	x	y	z
x	4.280	3.235	0.000
y	3.235	6.272	0.000
z	0.000	0.000	0.996

<r²>	113.376
(<r²>)^1/2	10.648