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	hartrees
Energy at 0K	-2683.646109
Energy at 298.15K	-2683.650026
HF Energy	-2683.185707
Nuclear repulsion energy	143.231893

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3165	2957	25.19
2	A'	1821	1701	342.87
3	A'	1355	1267	72.09
4	A'	656	613	177.87
5	A'	360	336	15.05
6	A"	929	868	2.98

Atom	x (Å)	y (Å)
C1	0.379	-1.205
O2	-0.467	-2.049
H3	1.460	-1.356
Br4	0.000	0.714

	C1	O2	H3	Br4
C1		1.1952	1.0915	1.9562
O2	1.1952		2.0483	2.8018
H3	1.0915	2.0483		2.5333
Br4	1.9562	2.8018	2.5333

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	H3	127.156		O2	C1	Br4	123.712
H3	C1	Br4	109.132

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

using model chemistry: MP2=FULL/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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