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	hartrees
Energy at 0K	-2683.669740
Energy at 298.15K	-2683.673660
HF Energy	-2683.203213
Nuclear repulsion energy	143.609081

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3165	2973	15.27
2	A'	1790	1681	398.00
3	A'	1355	1273	68.05
4	A'	651	611	191.71
5	A'	363	341	14.57
6	A"	928	871	5.12

Atom	x (Å)	y (Å)
C1	0.380	-1.197
O2	-0.467	-2.045
H3	1.459	-1.358
Br4	0.000	0.711

	C1	O2	H3	Br4
C1		1.1986	1.0914	1.9455
O2	1.1986		2.0452	2.7954
H3	1.0914	2.0452		2.5322
Br4	1.9455	2.7954	2.5322

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	H3	126.469		O2	C1	Br4	123.769
H3	C1	Br4	109.762

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

using model chemistry: MP2=FULL/6-31+G**

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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