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	hartrees
Energy at 0K	-2683.650260
Energy at 298.15K	-2683.654183
HF Energy	-2683.203572
Nuclear repulsion energy	143.459475

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3152	2979	18.03
2	A'	1826	1727	409.70
3	A'	1358	1284	68.48
4	A'	651	616	173.07
5	A'	367	346	8.60
6	A"	923	873	3.71

Atom	x (Å)	y (Å)
C1	0.380	-1.202
O2	-0.468	-2.044
H3	1.459	-1.372
Br4	0.000	0.712

	C1	O2	H3	Br4
C1		1.1949	1.0923	1.9518
O2	1.1949		2.0406	2.7954
H3	1.0923	2.0406		2.5448
Br4	1.9518	2.7954	2.5448

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	H3	126.243		O2	C1	Br4	123.536
H3	C1	Br4	110.221

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

using model chemistry: QCISD/6-31+G**

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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