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	hartrees
Energy at 0K	-2656.599647
Energy at 298.15K	-2656.603549
HF Energy	-2656.458554
Nuclear repulsion energy	141.737961

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3312	2944	18.28
2	A'	1747	1553	134.14
3	A'	1454	1292	49.02
4	A'	742	659	87.44
5	A'	418	372	4.56
6	A"	883	785	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		1.2490	1.1232	1.9412
O2	1.2490		2.0971	2.8438
H3	1.1232	2.0971		2.5698
Br4	1.9412	2.8438	2.5698

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	H3	124.169		O2	C1	Br4	124.674
H3	C1	Br4	111.156

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

using model chemistry: MP2=FULL/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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