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	hartrees
Energy at 0K	-2685.680552
Energy at 298.15K	-2685.684470
HF Energy	-2685.680552
Nuclear repulsion energy	145.025927

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3045	2939	22.61
2	A'	1841	1777	364.18
3	A'	1314	1268	43.71
4	A'	655	632	154.90
5	A'	362	349	7.64
6	A"	918	886	3.70

Atom	x (Å)	y (Å)
C1	0.374	-1.194
O2	-0.463	-2.025
H3	1.461	-1.349
Br4	0.000	0.706

	C1	O2	H3	Br4
C1		1.1803	1.0981	1.9364
O2	1.1803		2.0400	2.7705
H3	1.0981	2.0400		2.5217
Br4	1.9364	2.7705	2.5217

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	H3	127.076		O2	C1	Br4	123.656
H3	C1	Br4	109.268

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

using model chemistry: TPSSh/6-31G(2df,p)

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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