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	hartrees
Energy at 0K	-2688.085953
Energy at 298.15K	-2688.089891
HF Energy	-2688.085953
Nuclear repulsion energy	144.313937

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3064	2931	25.81
2	A'	1905	1822	480.03
3	A'	1330	1272	72.49
4	A'	661	632	179.98
5	A'	373	357	11.11
6	A"	917	878	3.38

Atom	x (Å)	y (Å)
C1	0.374	-1.207
O2	-0.463	-2.029
H3	1.460	-1.372
Br4	0.000	0.710

	C1	O2	H3	Br4
C1		1.1730	1.0981	1.9532
O2	1.1730		2.0319	2.7779
H3	1.0981	2.0319		2.5422
Br4	1.9532	2.7779	2.5422

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	H3	126.896		O2	C1	Br4	123.456
H3	C1	Br4	109.648

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

using model chemistry: wB97X-D/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	0.112
2	O	-0.204
3	H	0.160
4	Br	-0.069

	x	y	z	Total
	1.887	-0.078	0.000	1.888
CHELPG
AIM
ESP

	x	y	z
x	3.465	-0.138	0.000
y	-0.138	6.941	0.000
z	0.000	0.000	2.352

<r²>	84.120
(<r²>)^1/2	9.172