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	hartrees
Energy at 0K	-2686.164598
Energy at 298.15K	-2686.168528
HF Energy	-2685.694797
Nuclear repulsion energy	143.605937

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3073	2942	32.13
2	A'	1850	1771	399.10
3	A'	1352	1295	74.71
4	A'	660	631	166.03
5	A'	370	354	10.46
6	A"	919	880	3.13

Atom	x (Å)	y (Å)
C1	0.376	-1.208
O2	-0.465	-2.038
H3	1.462	-1.381
Br4	0.000	0.712

	C1	O2	H3	Br4
C1		1.1826	1.0990	1.9566
O2	1.1826		2.0360	2.7899
H3	1.0990	2.0360		2.5531
Br4	1.9566	2.7899	2.5531

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	H3	126.298		O2	C1	Br4	123.540
H3	C1	Br4	110.162

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

using model chemistry: QCISD/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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