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	hartrees
Energy at 0K	-2688.179326
Energy at 298.15K	-2688.183162
HF Energy	-2688.179326
Nuclear repulsion energy	140.994593

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2963	2954	19.50
2	A'	1793	1788	416.54
3	A'	1240	1237	46.87
4	A'	599	597	148.19
5	A'	328	327	15.03
6	A"	865	862	5.02

Atom	x (Å)	y (Å)
C1	0.376	-1.243
O2	-0.465	-2.079
H3	1.467	-1.387
Br4	0.000	0.728

	C1	O2	H3	Br4
C1		1.1859	1.1006	2.0071
O2	1.1859		2.0525	2.8458
H3	1.1006	2.0525		2.5743
Br4	2.0071	2.8458	2.5743

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	H3	127.666		O2	C1	Br4	124.029
H3	C1	Br4	108.305

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

using model chemistry: BLYP/cc-pVTZ

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	0.143
2	O	-0.139
3	H	0.101
4	Br	-0.105

	x	y	z	Total
	1.719	-0.233	0.000	1.735
CHELPG
AIM
ESP

	x	y	z
x	4.267	-0.174	0.000
y	-0.174	8.104	0.000
z	0.000	0.000	3.212

<r²>	0.000
(<r²>)^1/2	0.000