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	hartrees
Energy at 0K	-2683.238160
Energy at 298.15K	-2683.242043
HF Energy	-2682.988952
Nuclear repulsion energy	140.672145

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3185	2987	23.49
2	A'	1757	1647	387.86
3	A'	1366	1281	90.17
4	A'	617	578	155.50
5	A'	348	326	13.07
6	A"	924	867	5.72

Atom	x (Å)	y (Å)
C1	0.389	-1.235
O2	-0.475	-2.082
H3	1.466	-1.397
Br4	0.000	0.728

	C1	O2	H3	Br4
C1		1.2098	1.0899	2.0008
O2	1.2098		2.0586	2.8499
H3	1.0899	2.0586		2.5817
Br4	2.0008	2.8499	2.5817

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	H3	126.983		O2	C1	Br4	123.266
H3	C1	Br4	109.751

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

using model chemistry: CISD/6-31G

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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