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	hartrees
Energy at 0K	-2685.698523
Energy at 298.15K	-2685.702535
HF Energy	-2685.698523
Nuclear repulsion energy	145.678694

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3232	2937	25.51
2	A'	2030	1845	588.36
3	A'	1433	1302	127.09
4	A'	704	640	210.27
5	A'	399	363	10.16
6	A"	1030	936	0.63

Atom	x (Å)	y (Å)
C1	0.371	-1.200
O2	-0.459	-2.003
H3	1.444	-1.371
Br4	0.000	0.703

	C1	O2	H3	Br4
C1		1.1553	1.0860	1.9381
O2	1.1553		2.0049	2.7444
H3	1.0860	2.0049		2.5265
Br4	1.9381	2.7444	2.5265

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	H3	126.861		O2	C1	Br4	123.029
H3	C1	Br4	110.110

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

using model chemistry: HF/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	0.249
2	O	-0.290
3	H	0.143
4	Br	-0.101

	x	y	z	Total
	2.132	-0.027	0.000	2.132
CHELPG
AIM
ESP

	x	y	z
x	3.322	-0.102	0.000
y	-0.102	6.364	0.000
z	0.000	0.000	2.258

<r²>	0.000
(<r²>)^1/2	0.000