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	hartrees
Energy at 0K	-2658.241564
Energy at 298.15K	-2658.245376
HF Energy	-2658.241564
Nuclear repulsion energy	140.053510

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3086	2855	19.23
2	A'	1763	1632	120.86
3	A'	1353	1252	18.78
4	A'	674	624	78.64
5	A'	384	355	3.61
6	A"	828	766	3.51

Atom	x (Å)	y (Å)
C1	0.385	-1.203
O2	-0.477	-2.114
H3	1.504	-1.375
Br4	0.000	0.729

	C1	O2	H3	Br4
C1		1.2546	1.1318	1.9693
O2	1.2546		2.1142	2.8823
H3	1.1318	2.1142		2.5858
Br4	1.9693	2.8823	2.5858

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	H3	124.660		O2	C1	Br4	125.306
H3	C1	Br4	110.034

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

using model chemistry: BLYP/STO-3G

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	0.024
2	O	-0.120
3	H	0.093
4	Br	0.002

	x	y	z	Total
	1.140	-0.162	0.000	1.151
CHELPG
AIM
ESP

	x	y	z
x	1.317	-0.106	0.000
y	-0.106	4.264	0.000
z	0.000	0.000	0.532

<r²>	0.000
(<r²>)^1/2	0.000