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	hartrees
Energy at 0K	-2686.429699
Energy at 298.15K	-2686.433656
HF Energy	-2685.804993
Nuclear repulsion energy	144.896164

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3089	2907	21.90
2	A'	1859	1750	393.98
3	A'	1344	1265	66.99
4	A'	672	632	161.54
5	A'	381	358	6.87
6	A"	939	883	2.92

Atom	x (Å)	y (Å)
C1	0.375	-1.191
O2	-0.463	-2.022
H3	1.454	-1.361
Br4	0.000	0.705

	C1	O2	H3	Br4
C1		1.1802	1.0927	1.9328
O2	1.1802		2.0277	2.7667
H3	1.0927	2.0277		2.5267
Br4	1.9328	2.7667	2.5267

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	H3	126.238		O2	C1	Br4	123.620
H3	C1	Br4	110.142

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

using model chemistry: CCSD/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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