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	hartrees
Energy at 0K	-2673.289543
Energy at 298.15K	-2673.293458
HF Energy	-2672.920993
Nuclear repulsion energy	141.652408

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3072	2953	35.79
2	A'	1693	1627	255.27
3	A'	1368	1314	70.33
4	A'	644	619	154.31
5	A'	364	350	8.62
6	A"	926	890	4.10

Atom	x (Å)	y (Å)
C1	0.383	-1.213
O2	-0.471	-2.079
H3	1.468	-1.351
Br4	0.000	0.722

	C1	O2	H3	Br4
C1		1.2160	1.0939	1.9722
O2	1.2160		2.0710	2.8396
H3	1.0939	2.0710		2.5401
Br4	1.9722	2.8396	2.5401

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	H3	127.357		O2	C1	Br4	124.190
H3	C1	Br4	108.453

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

using model chemistry: QCISD/3-21G*

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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