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	hartrees
Energy at 0K	-2701.429217
Energy at 298.15K	-2701.432647
HF Energy	-2701.429217
Nuclear repulsion energy	132.597070

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1640	1628	515.63
2	A'	518	514	45.29
3	A'	257	255	15.91

Atom	x (Å)	y (Å)
N1	0.497	-1.414
Br2	0.000	0.776
O3	-0.434	-2.157

	N1	Br2	O3
N1		2.2456	1.1909
Br2	2.2456		2.9647
O3	1.1909	2.9647

Number	Element	Mulliken
1	N	0.138
2	Br	-0.063
3	O	-0.075

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

using model chemistry: BLYP/6-31G

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
	0.012	-1.372	0.000	1.372
CHELPG
AIM
ESP

	x	y	z
x	1.852	-0.044	0.000
y	-0.044	8.515	0.000
z	0.000	0.000	1.226

<r²>	93.246
(<r²>)^1/2	9.656