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	hartrees
Energy at 0K	-2683.638240
Energy at 298.15K	-2683.642149
HF Energy	-2683.183633
Nuclear repulsion energy	143.086713

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3148	2966	22.87
2	A'	1821	1716	345.16
3	A'	1348	1270	70.78
4	A'	653	615	180.25
5	A'	358	338	15.60
6	A"	924	871	3.53

Atom	x (Å)	y (Å)
C1	0.380	-1.208
O2	-0.468	-2.049
H3	1.465	-1.361
Br4	0.000	0.714

	C1	O2	H3	Br4
C1		1.1951	1.0957	1.9591
O2	1.1951		2.0518	2.8032
H3	1.0957	2.0518		2.5406
Br4	1.9591	2.8032	2.5406

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	H3	127.136		O2	C1	Br4	123.605
H3	C1	Br4	109.259

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

using model chemistry: MP2=FULL/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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