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	hartrees
Energy at 0K	-2685.696706
Energy at 298.15K	-2685.700716
HF Energy	-2685.696706
Nuclear repulsion energy	145.705314

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3261	2949	31.54
2	A'	2032	1838	592.21
3	A'	1451	1313	130.64
4	A'	706	639	206.98
5	A'	400	362	9.80
6	A"	1025	927	0.50

Atom	x (Å)	y (Å)
C1	0.370	-1.198
O2	-0.458	-2.004
H3	1.441	-1.374
Br4	0.000	0.703

	C1	O2	H3	Br4
C1		1.1555	1.0848	1.9368
O2	1.1555		2.0004	2.7451
H3	1.0848	2.0004		2.5280
Br4	1.9368	2.7451	2.5280

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	H3	126.457		O2	C1	Br4	123.174
H3	C1	Br4	110.369

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

using model chemistry: HF/6-311G*

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	-0.294
3	H	0.251
4	Br	-0.092

	x	y	z	Total
	2.121	-0.005	0.000	2.121
CHELPG
AIM
ESP

	x	y	z
x	3.308	-0.099	0.000
y	-0.099	6.337	0.000
z	0.000	0.000	2.236

<r²>	0.000
(<r²>)^1/2	0.000