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	hartrees
Energy at 0K	-2687.566354
Energy at 298.15K	-2687.570212
HF Energy	-2687.566354
Nuclear repulsion energy	142.064628

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2970	2939	29.16
2	A'	1828	1809	421.53
3	A'	1264	1250	49.01
4	A'	618	612	151.12
5	A'	342	338	13.98
6	A"	866	857	5.99

Atom	x (Å)	y (Å)
C1	0.375	-1.227
O2	-0.465	-2.064
H3	1.470	-1.382
Br4	0.000	0.722

	C1	O2	H3	Br4
C1		1.1854	1.1062	1.9839
O2	1.1854		2.0511	2.8238
H3	1.1062	2.0511		2.5664
Br4	1.9839	2.8238	2.5664

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	H3	126.996		O2	C1	Br4	124.033
H3	C1	Br4	108.971

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

using model chemistry: PBEPBE/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	-0.035
2	O	-0.159
3	H	0.244
4	Br	-0.050

	x	y	z	Total
	1.735	-0.230	0.000	1.750
CHELPG
AIM
ESP

	x	y	z
x	3.542	-0.185	0.000
y	-0.185	7.474	0.000
z	0.000	0.000	2.368

<r²>	0.000
(<r²>)^1/2	0.000