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	hartrees
Energy at 0K	-2637.101158
Energy at 298.15K	-2637.105106
HF Energy	-2637.101158
Nuclear repulsion energy	90.056083

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3440	3306	16.66
2	A'	1219	1171	39.82
3	A'	614	590	0.19

Atom	x (Å)	y (Å)
H1	-0.954	1.732
O2	0.022	1.508
Br3	0.022	-0.394

	H1	O2	Br3
H1		1.0016	2.3391
O2	1.0016		1.9018
Br3	2.3391	1.9018

Number	Element	Mulliken
1	H	0.372
2	O	-0.541
3	Br	0.169

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

using model chemistry: B3PW91/3-21G

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
	-1.908	-0.140	0.000	1.914
CHELPG
AIM
ESP

	x	y	z
x	1.232	-0.374	0.000
y	-0.374	3.772	0.000
z	0.000	0.000	0.573

<r²>	41.754
(<r²>)^1/2	6.462