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	hartrees
Energy at 0K	-2683.919443
Energy at 298.15K	-2683.923404
HF Energy	-2683.377106
Nuclear repulsion energy	145.633661

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3102	2939	21.96
2	A'	1848	1751	329.60
3	A'	1354	1283	52.88
4	A'	684	648	153.09
5	A'	381	361	4.40
6	A"	943	893	2.43

Atom	x (Å)	y (Å)
C1	0.376	-1.177
O2	-0.464	-2.013
H3	1.457	-1.354
Br4	0.000	0.701

	C1	O2	H3	Br4
C1		1.1847	1.0960	1.9148
O2	1.1847		2.0311	2.7528
H3	1.0960	2.0311		2.5191
Br4	1.9148	2.7528	2.5191

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	H3	125.834		O2	C1	Br4	123.552
H3	C1	Br4	110.614

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

using model chemistry: QCISD/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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