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	hartrees
Energy at 0K	-2688.226016
Energy at 298.15K	-2688.229939
HF Energy	-2688.226016
Nuclear repulsion energy	144.162839

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3078	2938	28.73
2	A'	1905	1818	476.43
3	A'	1332	1271	68.32
4	A'	655	625	172.50
5	A'	366	349	12.55
6	A"	920	878	3.74

Atom	x (Å)	y (Å)
C1	0.372	-1.206
O2	-0.461	-2.031
H3	1.457	-1.369
Br4	0.000	0.710

	C1	O2	H3	Br4
C1		1.1727	1.0965	1.9522
O2	1.1727		2.0289	2.7797
H3	1.0965	2.0289		2.5390
Br4	1.9522	2.7797	2.5390

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	H3	126.752		O2	C1	Br4	123.698
H3	C1	Br4	109.550

All results from a given calculation for COHBr (Formyl bromide)

using model chemistry: mPW1PW91/6-311G*

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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Number	Element	Mulliken
1	C	0.008
2	O	-0.203
3	H	0.251
4	Br	-0.056

	x	y	z	Total
	1.851	-0.101	0.000	1.854
CHELPG
AIM
ESP

	x	y	z
x	3.432	-0.140	0.000
y	-0.140	6.980	0.000
z	0.000	0.000	2.318

<r²>	0.000
(<r²>)^1/2	0.000