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	hartrees
Energy at 0K	-2701.898670
Energy at 298.15K	-2701.902199
HF Energy	-2701.898670
Nuclear repulsion energy	140.789253

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1953	1868	830.72
2	A'	587	562	97.55
3	A'	295	282	53.25

Atom	x (Å)	y (Å)
N1	0.477	-1.323
Br2	0.000	0.728
O3	-0.418	-2.027

	N1	Br2	O3
N1		2.1054	1.1386
Br2	2.1054		2.7860
O3	1.1386	2.7860

Number	Element	Mulliken
1	N	-0.003
2	Br	-0.175
3	O	0.178

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

using model chemistry: B1B95/6-31+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
	0.033	-1.722	0.000	1.723
CHELPG
AIM
ESP

	x	y	z
x	3.745	-0.098	0.000
y	-0.098	9.130	0.000
z	0.000	0.000	3.247

<r²>	84.355
(<r²>)^1/2	9.184