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	hartrees
Energy at 0K	-126.632094
Energy at 298.15K	-126.635920
HF Energy	-126.376107
Nuclear repulsion energy	48.021808

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3138	3029	28.71
2	A'	1598	1543	397.44
3	A'	1326	1280	113.67
4	A'	589	568	181.26
5	A'	330	318	24.43
6	A"	877	846	9.60

Atom	x (Å)	y (Å)
C1	0.395	-1.256
O2	-0.482	-2.124
H3	1.484	-1.409
Br4	0.000	0.741

	C1	O2	H3	Br4
C1		1.2346	1.0996	2.0355
O2	1.2346		2.0927	2.9053
H3	1.0996	2.0927		2.6123
Br4	2.0355	2.9053	2.6123

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	H3	127.316		O2	C1	Br4	123.490
H3	C1	Br4	109.193

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

using model chemistry: MP2/SDD

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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