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	hartrees
Energy at 0K	-2673.276549
Energy at 298.15K	-2673.280459
HF Energy	-2672.920559
Nuclear repulsion energy	141.401447

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3119	2967	32.57
2	A'	1657	1576	266.47
3	A'	1377	1310	84.82
4	A'	640	609	184.15
5	A'	357	340	19.42
6	A"	947	900	4.73

Atom	x (Å)	y (Å)
C1	0.382	-1.216
O2	-0.470	-2.085
H3	1.467	-1.332
Br4	0.000	0.723

	C1	O2	H3	Br4
C1		1.2179	1.0907	1.9763
O2	1.2179		2.0784	2.8476
H3	1.0907	2.0784		2.5252
Br4	1.9763	2.8476	2.5252

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	H3	128.311		O2	C1	Br4	124.401
H3	C1	Br4	107.289

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

using model chemistry: MP2/3-21G*

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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