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	hartrees
Energy at 0K	-34.818331
Energy at 298.15K	-34.822313
HF Energy	-34.818331
Nuclear repulsion energy	31.033013

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3341	3011	28.32
2	A'	1855	1672	546.86
3	A'	1433	1291	134.14
4	A'	684	617	185.37
5	A'	393	354	4.79
6	A"	990	893	4.82

Atom	x (Å)	y (Å)
C1	0.387	-1.208
O2	-0.472	-2.046
H3	1.456	-1.392
Br4	0.000	0.715

	C1	O2	H3	Br4
C1		1.1998	1.0848	1.9614
O2	1.1998		2.0360	2.8004
H3	1.0848	2.0360		2.5609
Br4	1.9614	2.8004	2.5609

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	H3	125.970		O2	C1	Br4	122.893
H3	C1	Br4	111.138

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

using model chemistry: HF/CEP-31G

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	-0.154
2	O	-0.117
3	H	0.216
4	Br	0.055

	x	y	z	Total
	2.647	0.288	0.000	2.662
CHELPG
AIM
ESP

	x	y	z
x	2.415	-0.079	0.000
y	-0.079	6.693	0.000
z	0.000	0.000	1.262

<r²>	0.000
(<r²>)^1/2	0.000