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	hartrees
Energy at 0K	-2686.588065
Energy at 298.15K	-2686.591996
HF Energy	-2685.696462
Nuclear repulsion energy	143.758808

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3107	2948	29.95
2	A'	1822	1728	378.90
3	A'	1345	1276	79.03
4	A'	657	623	182.89
5	A'	366	347	17.43
6	A"	929	882	3.34

Atom	x (Å)	y (Å)
C1	0.376	-1.204
O2	-0.465	-2.039
H3	1.462	-1.357
Br4	0.000	0.711

	C1	O2	H3	Br4
C1		1.1848	1.0967	1.9522
O2	1.1848		2.0439	2.7894
H3	1.0967	2.0439		2.5330
Br4	1.9522	2.7894	2.5330

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	H3	127.196		O2	C1	Br4	123.687
H3	C1	Br4	109.117

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

using model chemistry: MP2=FULL/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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