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	hartrees
Energy at 0K	-2688.097777
Energy at 298.15K	-2688.101671
HF Energy	-2688.097777
Nuclear repulsion energy	142.855952

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3049	2958	11.58
2	A'	1843	1788	461.10
3	A'	1276	1238	51.41
4	A'	632	613	169.43
5	A'	350	339	12.71
6	A"	905	878	5.06

Atom	x (Å)	y (Å)
C1	0.376	-1.219
O2	-0.466	-2.049
H3	1.469	-1.378
Br4	0.000	0.717

	C1	O2	H3	Br4
C1		1.1829	1.1038	1.9715
O2	1.1829		2.0478	2.8046
H3	1.1038	2.0478		2.5581
Br4	1.9715	2.8046	2.5581

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	H3	127.119		O2	C1	Br4	123.580
H3	C1	Br4	109.301

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

using model chemistry: B3LYP/aug-cc-pVDZ

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	0.308
2	O	-0.286
3	H	-0.180
4	Br	0.159

	x	y	z	Total
	1.819	-0.007	0.000	1.819
CHELPG
AIM
ESP

	x	y	z
x	5.070	-0.077	0.000
y	-0.077	8.286	0.000
z	0.000	0.000	4.165

<r²>	0.000
(<r²>)^1/2	0.000