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	hartrees
Energy at 0K	-2701.620977
Energy at 298.15K	-2701.624489
HF Energy	-2701.620977
Nuclear repulsion energy	138.982626

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1903	1835	802.24
2	A'	573	553	84.57
3	A'	288	278	43.63

Atom	x (Å)	y (Å)
N1	0.479	-1.344
Br2	0.000	0.739
O3	-0.419	-2.055

	N1	Br2	O3
N1		2.1370	1.1454
Br2	2.1370		2.8254
O3	1.1454	2.8254

Number	Element	Mulliken
1	N	-0.026
2	Br	-0.162
3	O	0.188

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

using model chemistry: B3LYP/6-31+G**

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
	0.027	-1.706	0.000	1.707
CHELPG
AIM
ESP

	x	y	z
x	3.857	-0.103	0.000
y	-0.103	9.444	0.000
z	0.000	0.000	3.333

<r²>	86.412
(<r²>)^1/2	9.296