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	hartrees
Energy at 0K	-2656.599138
Energy at 298.15K	-2656.603040
HF Energy	-2656.458535
Nuclear repulsion energy	141.727752

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3311	2887	18.26
2	A'	1746	1523	134.17
3	A'	1454	1267	49.05
4	A'	741	646	87.45
5	A'	418	365	4.56
6	A"	883	770	0.33

Atom	x (Å)	y (Å)
C1	0.387	-1.184
O2	-0.477	-2.085
H3	1.495	-1.372
Br4	0.000	0.719

	C1	O2	H3	Br4
C1		1.2491	1.1233	1.9414
O2	1.2491		2.0972	2.8440
H3	1.1233	2.0972		2.5699
Br4	1.9414	2.8440	2.5699

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	H3	124.177		O2	C1	Br4	124.672
H3	C1	Br4	111.151

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

using model chemistry: MP2/STO-3G

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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