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	hartrees
Energy at 0K	-34.821973
Energy at 298.15K	-34.825965
HF Energy	-34.821973
Nuclear repulsion energy	31.071452

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3277	2990	20.24
2	A'	1851	1689	565.17
3	A'	1433	1308	135.24
4	A'	683	623	185.14
5	A'	392	358	5.17
6	A"	993	906	3.96

Atom	x (Å)	y (Å)
C1	0.386	-1.209
O2	-0.471	-2.044
H3	1.454	-1.389
Br4	0.000	0.714

	C1	O2	H3	Br4
C1		1.1968	1.0826	1.9618
O2	1.1968		2.0335	2.7985
H3	1.0826	2.0335		2.5565
Br4	1.9618	2.7985	2.5565

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	H3	126.206		O2	C1	Br4	122.899
H3	C1	Br4	110.894

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

using model chemistry: HF/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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Number	Element	Mulliken
1	C	-0.099
2	O	-0.165
3	H	0.189
4	Br	0.075

	x	y	z	Total
	2.552	0.212	0.000	2.561
CHELPG
AIM
ESP

	x	y	z
x	2.626	-0.044	0.000
y	-0.044	6.742	0.000
z	0.000	0.000	1.309

<r²>	0.000
(<r²>)^1/2	0.000