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	hartrees
Energy at 0K	-2686.111916
Energy at 298.15K	-2686.115885
HF Energy	-2685.696061
Nuclear repulsion energy	144.781541

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3155	2920	29.42
2	A'	1930	1786	465.28
3	A'	1391	1288	91.59
4	A'	683	632	180.04
5	A'	385	357	9.83
6	A"	960	888	2.25

Atom	x (Å)	y (Å)
C1	0.374	-1.199
O2	-0.462	-2.021
H3	1.453	-1.372
Br4	0.000	0.707

	C1	O2	H3	Br4
C1		1.1720	1.0929	1.9416
O2	1.1720		2.0213	2.7659
H3	1.0929	2.0213		2.5363
Br4	1.9416	2.7659	2.5363

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	H3	126.329		O2	C1	Br4	123.426
H3	C1	Br4	110.244

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

using model chemistry: CISD/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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