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	hartrees
Energy at 0K	-2621.117564
Energy at 298.15K	-2621.121555
HF Energy	-2621.117564
Nuclear repulsion energy	90.877067

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3723	3287	31.97
2	A'	1339	1182	16.11
3	A'	776	685	2.52

Atom	x (Å)	y (Å)
H1	-0.995	1.655
O2	0.023	1.495
Br3	0.023	-0.389

	H1	O2	Br3
H1		1.0308	2.2831
O2	1.0308		1.8837
Br3	2.2831	1.8837

Number	Element	Mulliken
1	H	0.188
2	O	-0.215
3	Br	0.028

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

using model chemistry: B1B95/STO-3G

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
	-1.351	0.485	0.000	1.436
CHELPG
AIM
ESP

	x	y	z
x	0.699	-0.394	0.000
y	-0.394	2.563	0.000
z	0.000	0.000	0.097

<r²>	39.949
(<r²>)^1/2	6.321