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	hartrees
Energy at 0K	-2647.130031
Energy at 298.15K	-2647.134005
HF Energy	-2647.003822
Nuclear repulsion energy	94.161582

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3803	3632	80.76
2	A'	1205	1151	50.59
3	A'	665	635	10.62

Atom	x (Å)	y (Å)
H1	-0.917	1.663
O2	0.021	1.437
Br3	0.021	-0.376

	H1	O2	Br3
H1		0.9649	2.2444
O2	0.9649		1.8135
Br3	2.2444	1.8135

Number	Element	Mulliken
1	H	0.340
2	O	-0.551
3	Br	0.211

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

using model chemistry: B2PLYP/6-31G(2df,p)

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
	-1.432	0.176	0.000	1.443
CHELPG
AIM
ESP

	x	y	z
x	3.136	-0.213	0.000
y	-0.213	4.557	0.000
z	0.000	0.000	2.879

<r²>	39.491
(<r²>)^1/2	6.284