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	hartrees
Energy at 0K	-2686.639111
Energy at 298.15K	-2686.634812
HF Energy	-2683.272911
Nuclear repulsion energy	146.202667

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3270	3270	32.26
2	A'	2041	2041	557.76
3	A'	1448	1448	114.09
4	A'	720	720	198.21
5	A'	406	406	7.05
6	A"	1028	1028	0.32

Atom	x (Å)	y (Å)
C1	0.371	-1.187
O2	-0.458	-1.997
H3	1.444	-1.362
Br4	0.000	0.699

	C1	O2	H3	Br4
C1		1.1586	1.0871	1.9222
O2	1.1586		2.0053	2.7343
H3	1.0871	2.0053		2.5158
Br4	1.9222	2.7343	2.5158

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	H3	126.454		O2	C1	Br4	123.204
H3	C1	Br4	110.341

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

using model chemistry: CBS-Q

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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