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	hartrees
Energy at 0K	-2658.787954
Energy at 298.15K	-2658.791860
HF Energy	-2658.787954
Nuclear repulsion energy	143.176685

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3261	2879	10.88
2	A'	1894	1672	139.00
3	A'	1423	1257	29.47
4	A'	739	652	89.38
5	A'	420	371	3.36
6	A"	893	789	2.00

Atom	x (Å)	y (Å)
C1	0.381	-1.173
O2	-0.471	-2.064
H3	1.485	-1.354
Br4	0.000	0.712

	C1	O2	H3	Br4
C1		1.2330	1.1195	1.9225
O2	1.2330		2.0814	2.8157
H3	1.1195	2.0814		2.5444
Br4	1.9225	2.8157	2.5444

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	H3	124.369		O2	C1	Br4	124.887
H3	C1	Br4	110.744

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

using model chemistry: B1B95/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	0.041
2	O	-0.138
3	H	0.103
4	Br	-0.007

	x	y	z	Total
	1.262	-0.237	0.000	1.284
CHELPG
AIM
ESP

	x	y	z
x	1.281	-0.067	0.000
y	-0.067	3.880	0.000
z	0.000	0.000	0.498

<r²>	0.000
(<r²>)^1/2	0.000