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	hartrees
Energy at 0K	-2675.452290
Energy at 298.15K	-2675.456235
HF Energy	-2675.452290
Nuclear repulsion energy	143.763519

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3099	2942	32.05
2	A'	1788	1698	320.80
3	A'	1362	1293	48.21
4	A'	665	632	156.69
5	A'	376	357	6.34
6	A"	953	905	6.87

Atom	x (Å)	y (Å)
C1	0.375	-1.190
O2	-0.463	-2.052
H3	1.459	-1.320
Br4	0.000	0.711

	C1	O2	H3	Br4
C1		1.2025	1.0918	1.9368
O2	1.2025		2.0568	2.8014
H3	1.0918	2.0568		2.4999
Br4	1.9368	2.8014	2.4999

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	H3	127.328		O2	C1	Br4	124.681
H3	C1	Br4	107.990

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

using model chemistry: mPW1PW91/3-21G*

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	0.175
2	O	-0.372
3	H	0.259
4	Br	-0.062

	x	y	z	Total
	1.804	0.262	0.000	1.823
CHELPG
AIM
ESP

	x	y	z
x	3.237	-0.080	0.000
y	-0.080	6.278	0.000
z	0.000	0.000	2.122

<r²>	0.000
(<r²>)^1/2	0.000