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	hartrees
Energy at 0K	-2686.223350
Energy at 298.15K	-2686.227261
HF Energy	-2685.702027
Nuclear repulsion energy	143.201280

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3065	2977
2	A'	1774	1723
3	A'	1288	1251
4	A'	647	628
5	A'	363	352
6	A"	891	866

Atom	x (Å)	y (Å)
C1	0.381	-1.203
O2	-0.470	-2.046
H3	1.474	-1.376
Br4	0.000	0.713

	C1	O2	H3	Br4
C1		1.1973	1.1069	1.9538
O2	1.1973		2.0560	2.7990
H3	1.1069	2.0560		2.5565
Br4	1.9538	2.7990	2.5565

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	H3	126.277		O2	C1	Br4	123.524
H3	C1	Br4	110.199

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

using model chemistry: CCSD(T)=FULL/aug-cc-pVDZ

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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