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	hartrees
Energy at 0K	-2683.186349
Energy at 298.15K	-2683.190350
HF Energy	-2683.186349
Nuclear repulsion energy	145.689760

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3303	2941	25.84
2	A'	2044	1820	531.48
3	A'	1447	1289	117.91
4	A'	706	629	199.49
5	A'	398	354	7.70
6	A"	1028	916	0.49

Atom	x (Å)	y (Å)
C1	0.373	-1.194
O2	-0.460	-2.006
H3	1.442	-1.365
Br4	0.000	0.702

	C1	O2	H3	Br4
C1		1.1624	1.0831	1.9325
O2	1.1624		2.0068	2.7466
H3	1.0831	2.0068		2.5205
Br4	1.9325	2.7466	2.5205

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	H3	126.639		O2	C1	Br4	123.165
H3	C1	Br4	110.196

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

using model chemistry: ROHF/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	0.306
2	O	-0.374
3	H	0.226
4	Br	-0.158

	x	y	z	Total
	2.096	0.099	0.000	2.098
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000