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	hartrees
Energy at 0K	-2686.164236
Energy at 298.15K	-2686.168190
HF Energy	-2685.697309
Nuclear repulsion energy	144.290916

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3088	2949	31.48
2	A'	1890	1805	404.05
3	A'	1367	1306	89.13
4	A'	670	640	161.53
5	A'	378	361	8.84
6	A"	938	895	2.40

Atom	x (Å)	y (Å)
C1	0.375	-1.202
O2	-0.464	-2.028
H3	1.460	-1.372
Br4	0.000	0.709

	C1	O2	H3	Br4
C1		1.1777	1.0984	1.9469
O2	1.1777		2.0330	2.7754
H3	1.0984	2.0330		2.5424
Br4	1.9469	2.7754	2.5424

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	H3	126.520		O2	C1	Br4	123.421
H3	C1	Br4	110.059

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

using model chemistry: CCD/6-311G**

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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