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	hartrees
Energy at 0K	-2649.889067
Energy at 298.15K	-2649.893016
HF Energy	-2649.889067
Nuclear repulsion energy	92.323527

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3819	3678	82.14
2	A'	1172	1129	41.43
3	A'	621	598	4.92

Atom	x (Å)	y (Å)
H1	-0.922	1.678
O2	0.021	1.473
Br3	0.021	-0.385

	H1	O2	Br3
H1		0.9656	2.2682
O2	0.9656		1.8574
Br3	2.2682	1.8574

Number	Element	Mulliken
1	H	0.286
2	O	-0.438
3	Br	0.152

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

using model chemistry: B3PW91/6-311G**

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
	-1.656	-0.201	0.000	1.668
CHELPG
AIM
ESP

	x	y	z
x	2.146	-0.227	0.000
y	-0.227	4.138	0.000
z	0.000	0.000	1.775

<r²>	40.642
(<r²>)^1/2	6.375