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	hartrees
Energy at 0K	-2683.620342
Energy at 298.15K	-2683.624253
HF Energy	-2683.183866
Nuclear repulsion energy	142.951080

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3118	2969	26.32
2	A'	1850	1762	357.62
3	A'	1346	1282	69.78
4	A'	653	622	162.54
5	A'	362	345	9.29
6	A"	916	873	2.74

Atom	x (Å)	y (Å)
C1	0.381	-1.212
O2	-0.469	-2.048
H3	1.466	-1.378
Br4	0.000	0.715

	C1	O2	H3	Br4
C1		1.1923	1.0978	1.9641
O2	1.1923		2.0473	2.8031
H3	1.0978	2.0473		2.5553
Br4	1.9641	2.8031	2.5553

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	H3	126.710		O2	C1	Br4	123.403
H3	C1	Br4	109.887

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

using model chemistry: QCISD/6-31G*

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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