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	hartrees
Energy at 0K	-2686.458066
Energy at 298.15K	-2686.461997
HF Energy	-2685.804194
Nuclear repulsion energy	144.156901

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3066	2989
2	A'	1811	1766
3	A'	1319	1286
4	A'	655	639
5	A'	369	360
6	A"	915	892

Atom	x (Å)	y (Å)
C1	0.376	-1.197
O2	-0.464	-2.034
H3	1.458	-1.364
Br4	0.000	0.709

	C1	O2	H3	Br4
C1		1.1864	1.0942	1.9428
O2	1.1864		2.0355	2.7820
H3	1.0942	2.0355		2.5344
Br4	1.9428	2.7820	2.5344

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	H3	126.339		O2	C1	Br4	123.699
H3	C1	Br4	109.962

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

using model chemistry: CCSD(T)/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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