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	hartrees
Energy at 0K	-2685.818741
Energy at 298.15K	-2685.822757
HF Energy	-2685.818741
Nuclear repulsion energy	146.099958

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3219	2925	15.08
2	A'	2012	1828	563.51
3	A'	1428	1298	100.95
4	A'	707	642	201.63
5	A'	402	365	7.62
6	A"	1032	937	1.55

Atom	x (Å)	y (Å)
C1	0.370	-1.194
O2	-0.458	-1.998
H3	1.440	-1.368
Br4	0.000	0.701

	C1	O2	H3	Br4
C1		1.1542	1.0841	1.9303
O2	1.1542		1.9998	2.7374
H3	1.0841	1.9998		2.5204
Br4	1.9303	2.7374	2.5204

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	H3	126.588		O2	C1	Br4	123.128
H3	C1	Br4	110.284

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

using model chemistry: HF/aug-cc-pVQZ

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	-0.055
2	O	-0.504
3	H	0.478
4	Br	0.081

	x	y	z	Total
	2.010	0.132	0.000	2.014
CHELPG
AIM
ESP

	x	y	z
x	4.918	-0.016	0.000
y	-0.016	7.320	0.000
z	0.000	0.000	4.162

<r²>	0.000
(<r²>)^1/2	0.000