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	hartrees
Energy at 0K	-35.072240
Energy at 298.15K	-35.076093
HF Energy	-34.816942
Nuclear repulsion energy	30.060355

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3073	2999	30.91
2	A'	1581	1543	389.92
3	A'	1333	1301	98.00
4	A'	600	585	176.15
5	A'	334	326	21.20
6	A"	876	855	10.09

Atom	x (Å)	y (Å)
C1	0.397	-1.250
O2	-0.483	-2.123
H3	1.485	-1.408
Br4	0.000	0.740

	C1	O2	H3	Br4
C1		1.2397	1.1002	2.0290
O2	1.2397		2.0945	2.9036
H3	1.1002	2.0945		2.6116
Br4	2.0290	2.9036	2.6116

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	H3	126.951		O2	C1	Br4	123.508
H3	C1	Br4	109.541

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

using model chemistry: MP2/CEP-121G

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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