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	hartrees
Energy at 0K	-2683.628227
Energy at 298.15K	-2683.632147
HF Energy	-2683.185979
Nuclear repulsion energy	143.112088

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3150	2965	28.33
2	A'	1851	1742	355.34
3	A'	1359	1280	72.63
4	A'	656	617	160.75
5	A'	363	342	8.96
6	A"	923	869	2.21

Atom	x (Å)	y (Å)
C1	0.380	-1.209
O2	-0.468	-2.048
H3	1.461	-1.371
Br4	0.000	0.715

	C1	O2	H3	Br4
C1		1.1923	1.0924	1.9611
O2	1.1923		2.0434	2.8014
H3	1.0924	2.0434		2.5465
Br4	1.9611	2.8014	2.5465

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	H3	126.804		O2	C1	Br4	123.483
H3	C1	Br4	109.713

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

using model chemistry: QCISD/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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