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	hartrees
Energy at 0K	-2683.898643
Energy at 298.15K	-2683.902596
HF Energy	-2683.376586
Nuclear repulsion energy	145.591271

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3111	2938	20.18
2	A'	1806	1706	309.37
3	A'	1343	1269	52.51
4	A'	681	643	167.86
5	A'	377	356	7.59
6	A"	938	886	3.13

Atom	x (Å)	y (Å)
C1	0.376	-1.174
O2	-0.464	-2.016
H3	1.459	-1.341
Br4	0.000	0.700

	C1	O2	H3	Br4
C1		1.1894	1.0961	1.9122
O2	1.1894		2.0390	2.7558
H3	1.0961	2.0390		2.5092
Br4	1.9122	2.7558	2.5092

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	H3	126.241		O2	C1	Br4	123.692
H3	C1	Br4	110.068

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

using model chemistry: MP2/6-31G(2df,p)

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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