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	hartrees
Energy at 0K	-2686.449133
Energy at 298.15K	-2686.453082
HF Energy	-2685.806935
Nuclear repulsion energy	144.860226

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3086	2970	15.02
2	A'	1830	1761	396.83
3	A'	1328	1278	58.92
4	A'	669	644	164.84
5	A'	378	363	6.81
6	A"	929	894	3.75

Atom	x (Å)	y (Å)
C1	0.376	-1.190
O2	-0.464	-2.023
H3	1.456	-1.360
Br4	0.000	0.705

	C1	O2	H3	Br4
C1		1.1832	1.0931	1.9317
O2	1.1832		2.0309	2.7671
H3	1.0931	2.0309		2.5269
Br4	1.9317	2.7671	2.5269

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	H3	126.260		O2	C1	Br4	123.533
H3	C1	Br4	110.207

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

using model chemistry: QCISD/aug-cc-pVTZ

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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