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	hartrees
Energy at 0K	-2683.256869
Energy at 298.15K	-2683.260732
HF Energy	-2682.988105
Nuclear repulsion energy	140.110716

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3128	3002	25.74
2	A'	1728	1658	338.48
3	A'	1352	1297	85.34
4	A'	606	582	136.93
5	A'	341	327	11.70
6	A"	900	863	6.42

Atom	x (Å)	y (Å)
C1	0.390	-1.240
O2	-0.477	-2.091
H3	1.473	-1.405
Br4	0.000	0.731

	C1	O2	H3	Br4
C1		1.2149	1.0950	2.0085
O2	1.2149		2.0664	2.8612
H3	1.0950	2.0664		2.5943
Br4	2.0085	2.8612	2.5943

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	H3	126.839		O2	C1	Br4	123.258
H3	C1	Br4	109.904

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

using model chemistry: CCD/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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