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	hartrees
Energy at 0K	-2686.154067
Energy at 298.15K	-2686.157994
HF Energy	-2685.691216
Nuclear repulsion energy	143.201843

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3081	2956	35.45
2	A'	1848	1773	377.48
3	A'	1326	1272	69.49
4	A'	655	628	155.43
5	A'	367	352	9.42
6	A"	917	880	2.14

Atom	x (Å)	y (Å)
C1	0.377	-1.208
O2	-0.467	-2.046
H3	1.474	-1.371
Br4	0.000	0.714

	C1	O2	H3	Br4
C1		1.1890	1.1093	1.9586
O2	1.1890		2.0548	2.7996
H3	1.1093	2.0548		2.5531
Br4	1.9586	2.7996	2.5531

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	H3	126.738		O2	C1	Br4	123.749
H3	C1	Br4	109.513

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

using model chemistry: QCISD/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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