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	hartrees
Energy at 0K	-2656.463262
Energy at 298.15K	-2656.467269
HF Energy	-2656.463262
Nuclear repulsion energy	145.265242

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3546	2895	9.77
2	A'	2073	1693	141.80
3	A'	1562	1275	66.12
4	A'	816	666	84.74
5	A'	459	375	4.31
6	A"	992	810	0.24

Atom	x (Å)	y (Å)
C1	0.379	-1.163
O2	-0.467	-2.025
H3	1.463	-1.372
Br4	0.000	0.701

	C1	O2	H3	Br4
C1		1.2077	1.1042	1.9026
O2	1.2077		2.0381	2.7657
H3	1.1042	2.0381		2.5375
Br4	1.9026	2.7657	2.5375

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	H3	123.604		O2	C1	Br4	124.014
H3	C1	Br4	112.382

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

using model chemistry: HF/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	0.104
2	O	-0.176
3	H	0.090
4	Br	-0.019

	x	y	z	Total
	1.418	-0.283	0.000	1.446
CHELPG
AIM
ESP

	x	y	z
x	1.294	0.002	0.000
y	0.002	3.432	0.000
z	0.000	0.000	0.452

<r²>	0.000
(<r²>)^1/2	0.000