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	hartrees
Energy at 0K	-2688.086024
Energy at 298.15K	-2688.089848
HF Energy	-2688.086024
Nuclear repulsion energy	140.384441

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2962	2955	28.51
2	A'	1808	1804	430.44
3	A'	1254	1251	56.51
4	A'	597	595	146.73
5	A'	325	325	16.32
6	A"	856	854	5.83

Atom	x (Å)	y (Å)
C1	0.376	-1.253
O2	-0.466	-2.087
H3	1.470	-1.401
Br4	0.000	0.732

	C1	O2	H3	Br4
C1		1.1856	1.1037	2.0198
O2	1.1856		2.0534	2.8575
H3	1.1037	2.0534		2.5905
Br4	2.0198	2.8575	2.5905

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	H3	127.496		O2	C1	Br4	124.029
H3	C1	Br4	108.475

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

using model chemistry: BLYP/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	-0.011
2	O	-0.156
3	H	0.235
4	Br	-0.067

	x	y	z	Total
	1.766	-0.379	0.000	1.807
CHELPG
AIM
ESP

	x	y	z
x	3.552	-0.208	0.000
y	-0.208	7.659	0.000
z	0.000	0.000	2.368

<r²>	0.000
(<r²>)^1/2	0.000