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	hartrees
Energy at 0K	-2682.412702
Energy at 298.15K	-2682.416633
HF Energy	-2682.412702
Nuclear repulsion energy	146.396757

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2957	2910	18.64
2	A'	1861	1831	331.75
3	A'	1260	1239	26.11
4	A'	675	664	143.99
5	A'	374	368	4.23
6	A"	891	877	4.42

Atom	x (Å)	y (Å)
C1	0.372	-1.166
O2	-0.462	-2.005
H3	1.470	-1.327
Br4	0.000	0.696

	C1	O2	H3	Br4
C1		1.1831	1.1105	1.8987
O2	1.1831		2.0481	2.7405
H3	1.1105	2.0481		2.5010
Br4	1.8987	2.7405	2.5010

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	H3	126.468		O2	C1	Br4	123.897
H3	C1	Br4	109.635

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

using model chemistry: LSDA/6-31G(2df,p)

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	-0.091
2	O	-0.092
3	H	0.188
4	Br	-0.005

	x	y	z	Total
	1.554	0.207	0.000	1.567
CHELPG
AIM
ESP

	x	y	z
x	4.447	-0.144	0.000
y	-0.144	7.225	0.000
z	0.000	0.000	3.475

<r²>	0.000
(<r²>)^1/2	0.000