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	hartrees
Energy at 0K	-2647.495570
Energy at 298.15K	-2647.499490
HF Energy	-2647.495570
Nuclear repulsion energy	90.256855

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3622	3602	69.79
2	A'	1129	1123	43.09
3	A'	583	580	7.53

Atom	x (Å)	y (Å)
H1	-0.940	1.714
O2	0.022	1.507
Br3	0.022	-0.393

	H1	O2	Br3
H1		0.9834	2.3161
O2	0.9834		1.9007
Br3	2.3161	1.9007

Number	Element	Mulliken
1	H	0.348
2	O	-0.449
3	Br	0.101

All results from a given calculation for HOBr (Hypobromous acid)

using model chemistry: BLYP/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
	-1.598	-0.179	0.000	1.608
CHELPG
AIM
ESP

	x	y	z
x	3.057	-0.132	0.000
y	-0.132	4.985	0.000
z	0.000	0.000	2.940

<r²>	42.271
(<r²>)^1/2	6.502