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	hartrees
Energy at 0K	-2686.184264
Energy at 298.15K	-2686.188206
HF Energy	-2685.703224
Nuclear repulsion energy	143.931277

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3088	2979	15.16
2	A'	1842	1777	409.87
3	A'	1320	1273	67.54
4	A'	664	641	164.58
5	A'	375	361	7.26
6	A"	917	885	3.97

Atom	x (Å)	y (Å)
C1	0.379	-1.199
O2	-0.468	-2.033
H3	1.471	-1.374
Br4	0.000	0.710

	C1	O2	H3	Br4
C1		1.1886	1.1062	1.9458
O2	1.1886		2.0480	2.7826
H3	1.1062	2.0480		2.5502
Br4	1.9458	2.7826	2.5502

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	H3	126.328		O2	C1	Br4	123.365
H3	C1	Br4	110.307

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

using model chemistry: CCD/aug-cc-pVDZ

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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