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	hartrees
Energy at 0K	-2685.613069
Energy at 298.15K	-2685.616901
HF Energy	-2685.613069
Nuclear repulsion energy	140.697955

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2987	2963	27.61
2	A'	1808	1794	371.20
3	A'	1264	1254	49.64
4	A'	609	604	139.67
5	A'	331	329	11.28
6	A"	858	851	4.62

Atom	x (Å)	y (Å)
C1	0.376	-1.237
O2	-0.466	-2.083
H3	1.472	-1.395
Br4	0.000	0.728

	C1	O2	H3	Br4
C1		1.1932	1.1074	2.0003
O2	1.1932		2.0558	2.8490
H3	1.1074	2.0558		2.5835
Br4	2.0003	2.8490	2.5835

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	H3	126.610		O2	C1	Br4	124.327
H3	C1	Br4	109.063

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

using model chemistry: BLYP/6-31G*

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	0.189
2	O	-0.258
3	H	0.184
4	Br	-0.115

	x	y	z	Total
	1.689	-0.194	0.000	1.700
CHELPG
AIM
ESP

	x	y	z
x	3.794	-0.143	0.000
y	-0.143	7.279	0.000
z	0.000	0.000	2.649

<r²>	87.514
(<r²>)^1/2	9.355