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	hartrees
Energy at 0K	-2683.205944
Energy at 298.15K	-2683.209953
HF Energy	-2683.205944
Nuclear repulsion energy	145.945002

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3272	2958	15.76
2	A'	2027	1833	583.27
3	A'	1446	1307	107.45
4	A'	703	636	212.59
5	A'	401	363	7.15
6	A"	1030	931	1.22

Atom	x (Å)	y (Å)
C1	0.372	-1.189
O2	-0.459	-2.003
H3	1.442	-1.364
Br4	0.000	0.701

	C1	O2	H3	Br4
C1		1.1636	1.0843	1.9262
O2	1.1636		2.0063	2.7424
H3	1.0843	2.0063		2.5185
Br4	1.9262	2.7424	2.5185

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	H3	126.350		O2	C1	Br4	123.235
H3	C1	Br4	110.416

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

using model chemistry: HF/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	0.337
2	O	-0.330
3	H	0.175
4	Br	-0.183

	x	y	z	Total
	2.170	0.196	0.000	2.179
CHELPG
AIM
ESP

	x	y	z
x	4.115	0.030	0.000
y	0.030	6.823	0.000
z	0.000	0.000	3.154

<r²>	0.000
(<r²>)^1/2	0.000