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	hartrees
Energy at 0K	-2683.611006
Energy at 298.15K	-2683.614918
HF Energy	-2683.185477
Nuclear repulsion energy	142.973822

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3163	2962	25.05
2	A'	1817	1702	343.38
3	A'	1352	1266	73.33
4	A'	653	611	178.20
5	A'	357	335	15.20
6	A"	923	865	3.00

Atom	x (Å)	y (Å)
C1	0.380	-1.209
O2	-0.468	-2.052
H3	1.462	-1.360
Br4	0.000	0.715

	C1	O2	H3	Br4
C1		1.1959	1.0924	1.9610
O2	1.1959		2.0504	2.8063
H3	1.0924	2.0504		2.5383
Br4	1.9610	2.8063	2.5383

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	H3	127.221		O2	C1	Br4	123.651
H3	C1	Br4	109.127

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

using model chemistry: MP2/6-31G**

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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