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	hartrees
Energy at 0K	-38.323609
Energy at 298.15K	-38.327183
HF Energy	-38.323609
Nuclear repulsion energy	30.543649

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1846	1664	1088.37
2	A'	614	553	155.98
3	A'	322	290	70.72

Atom	x (Å)	y (Å)
N1	0.489	-1.291
Br2	0.000	0.719
O3	-0.428	-2.017

	N1	Br2	O3
N1		2.0690	1.1700
Br2	2.0690		2.7700
O3	1.1700	2.7700

Number	Element	Mulliken
1	N	-0.054
2	Br	0.023
3	O	0.031

All results from a given calculation for BrNO (Nitrosyl bromide)

using model chemistry: HF/CEP-31G

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
	0.135	-0.681	0.000	0.695
CHELPG
AIM
ESP

	x	y	z
x	1.836	-0.210	0.000
y	-0.210	8.978	0.000
z	0.000	0.000	1.018

<r²>	55.069
(<r²>)^1/2	7.421