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	hartrees
Energy at 0K	-2658.395115
Energy at 298.15K	-2658.399009
HF Energy	-2658.395115
Nuclear repulsion energy	142.542273

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3241	2868	12.18
2	A'	1869	1654	135.97
3	A'	1417	1254	26.19
4	A'	730	646	87.92
5	A'	416	368	3.35
6	A"	885	783	2.36

Atom	x (Å)	y (Å)
C1	0.381	-1.179
O2	-0.472	-2.074
H3	1.489	-1.358
Br4	0.000	0.715

	C1	O2	H3	Br4
C1		1.2372	1.1219	1.9318
O2	1.2372		2.0879	2.8291
H3	1.1219	2.0879		2.5521
Br4	1.9318	2.8291	2.5521

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	H3	124.442		O2	C1	Br4	124.993
H3	C1	Br4	110.566

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

using model chemistry: B3PW91/STO-3G

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	0.035
2	O	-0.133
3	H	0.103
4	Br	-0.004

	x	y	z	Total
	1.245	-0.211	0.000	1.263
CHELPG
AIM
ESP

	x	y	z
x	1.279	-0.068	0.000
y	-0.068	3.933	0.000
z	0.000	0.000	0.504

<r²>	0.000
(<r²>)^1/2	0.000