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	hartrees
Energy at 0K	-2699.111059
Energy at 298.15K	-2699.114591
HF Energy	-2699.111059
Nuclear repulsion energy	142.761894

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2109	1805	1608.95
2	A'	619	530	184.00
3	A'	281	241	160.28

Atom	x (Å)	y (Å)
N1	0.472	-1.320
Br2	0.000	0.719
O3	-0.413	-1.989

	N1	Br2	O3
N1		2.0923	1.1101
Br2	2.0923		2.7387
O3	1.1101	2.7387

Number	Element	Mulliken
1	N	0.139
2	Br	-0.253
3	O	0.114

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

using model chemistry: ROHF/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
	0.205	-2.182	0.000	2.192
CHELPG
AIM
ESP

<r²>	82.736
(<r²>)^1/2	9.096