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	hartrees
Energy at 0K	-2685.637671
Energy at 298.15K	-2685.641505
HF Energy	-2685.637671
Nuclear repulsion energy	141.073746

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2987	2971	14.67
2	A'	1782	1773	449.19
3	A'	1256	1250	46.24
4	A'	602	598	157.39
5	A'	332	330	12.56
6	A"	860	855	7.51

Atom	x (Å)	y (Å)
C1	0.378	-1.233
O2	-0.468	-2.081
H3	1.472	-1.387
Br4	0.000	0.727

	C1	O2	H3	Br4
C1		1.1979	1.1049	1.9956
O2	1.1979		2.0605	2.8458
H3	1.1049	2.0605		2.5761
Br4	1.9956	2.8458	2.5761

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	H3	126.916		O2	C1	Br4	124.114
H3	C1	Br4	108.969

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

using model chemistry: BLYP/6-31+G**

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	0.134
2	O	-0.213
3	H	0.175
4	Br	-0.097

	x	y	z	Total
	1.839	0.008	0.000	1.839
CHELPG
AIM
ESP

	x	y	z
x	4.662	-0.022	0.000
y	-0.022	8.483	0.000
z	0.000	0.000	3.536

<r²>	0.000
(<r²>)^1/2	0.000