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	hartrees
Energy at 0K	-2683.642139
Energy at 298.15K	-2683.646077
HF Energy	-2683.204301
Nuclear repulsion energy	143.988711

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3157	2975	16.56
2	A'	1869	1761	419.46
3	A'	1375	1296	77.71
4	A'	661	623	170.62
5	A'	373	352	7.67
6	A"	934	880	3.74

Atom	x (Å)	y (Å)
C1	0.379	-1.198
O2	-0.467	-2.035
H3	1.458	-1.371
Br4	0.000	0.710

	C1	O2	H3	Br4
C1		1.1899	1.0923	1.9448
O2	1.1899		2.0352	2.7839
H3	1.0923	2.0352		2.5408
Br4	1.9448	2.7839	2.5408

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	H3	126.141		O2	C1	Br4	123.471
H3	C1	Br4	110.388

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

using model chemistry: CCD/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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